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ISBN: 0-309-14510-4, 50 pages, 8.5 x 11, (2009)

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An Assessment of the National Institute of 

Standards and Technology Chemical Science and 

Technology Laboratory: Fiscal Year 2009 

Panel on Chemical Science and Technology; National 

Research Council 
Copyright © National Academy of Sciences. All rights reserved.

An Assessment of the National Institute of Standards and Technology Chemical Science and Technology Laboratory: Fiscal Year 2009

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AN ASSESSMENT OF THE 

NATIONAL INSTITUTE OF STANDARDS 

AND TECHNOLOGY 

CHEMICAL SCIENCE AND 

TECHNOLOGY LABORATORY 

FISCAL YEAR 2009 

Panel on Chemical Science and Technology 

Laboratory Assessments Board 

Division on Engineering and Physical Sciences 

THE NATIONAL ACADEMIES PRESS 

Washington, D.C. 

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Copyright © National Academy of Sciences. All rights reserved.

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THE NATIONAL ACADEMIES PRESS 500 Fifth Street, N.W. Washington, DC 20001 

NOTICE: The project that is the subject of this report was approved by the Governing Board of 

the National Research Council, whose members are drawn from the councils of the National 

Academy of Sciences, the National Academy of Engineering, and the Institute of Medicine. The 

members of the panel responsible for the report were chosen for their special competences and 

with regard for appropriate balance. 

This study was supported by Contract No. SB3141-06-Z-0011, TO#6 between the National 

Academy of Sciences and the National Institute of Standards and Technology, an agency of the 

U.S. Department of Commerce. Any opinions, findings, conclusions, or recommendations 

expressed in this publication are those of the authors and do not necessarily reflect the views of 

the agency that provided support for the project. 

International Standard Book Number-13: 978-0-309-14509-1 

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The National Academy of Sciences is a private, nonprofit, self-perpetuating society of distinguished scholars engaged in 

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to advise the federal government on scientific and technical matters. Dr. Ralph J. Cicerone is president of the National 

Academy of Sciences. 

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government. Functioning in accordance with general policies determined by the Academy, the Council has become the 

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respectively, of the National Research Council. 

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iv 

PANEL ON CHEMICAL SCIENCE AND TECHNOLOGY 

JOHN L. ANDERSON, Illinois Institute of Technology, Chair 

DAVID E. ASPNES, North Carolina State University 

ANNA C. BALAZS, University of Pittsburgh 

MARK A. BARTEAU, University of Delaware

BARBARA D. BOYAN, Georgia Institute of Technology 

MICHELLE V. BUCHANAN, Oak Ridge National Laboratory

JEROME J. CUOMO, North Carolina State University

JUAN J. de PABLO, University of Wisconsin-Madison 

JOSEPH S. FRANCISCO, Purdue University

LUKE HANLEY, University of Illinois at Chicago 

CHARLES B. HARRIS, University of California, Berkeley 

YUE KUO, Texas A&M University-College Station 

DAN MAYDAN, Applied Materials, Inc. (retired) 

JOHN McDEVITT, University of Texas at Austin

C. BRADLEY MOORE, University of California, Berkeley

SUSAN V. OLESIK, Ohio State University 

ANUP K. SINGH, Sandia National Laboratories 

DARLENE J.S. SOLOMON, Agilent Laboratories 

LARRY F. THOMPSON, IPSSLP

VERN W. WEEKMAN, JR., Exxon Mobil Technology (retired) 

W. HENRY WEINBERG, Draths Corporation 

Staff 

JAMES P. McGEE, Director 

CY L. BUTNER, Senior Program Officer

LIZA HAMILTON, Administrative Coordinator 

EVA LABRE, Senior Program Assistant 
Copyright © National Academy of Sciences. All rights reserved.

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v 

Acknowledgment of Reviewers 

 This report has been reviewed in draft form by individuals chosen for their diverse 

perspectives and technical expertise, in accordance with procedures approved by the National 

Research Council’s Report Review Committee. The purpose of this independent review is to 

provide candid and critical comments that will assist the institution in making its published 

report as sound as possible and to ensure that the report meets institutional standards for 

objectivity, evidence, and responsiveness to the study charge. The review comments and 

draft manuscript remain confidential to protect the integrity of the deliberative process. We 

wish to thank the following individuals for their review of this report: 

William Goddard III, California Institute of Technology, 

Juli Feigon, University of California, Los Angeles, 

R. Kenneth Marcus, Clemson University, 

James D. Olson, Dow Chemical Company (retired), and 

Gabor Somorjai, University of California, Berkeley. 

 Although the reviewers listed above have provided many constructive comments and 

suggestions, they were not asked to endorse the conclusions or recommendations, nor did they 

see the final draft of the report before its release. The review of this report was overseen by 

Alton D. Slay, Warrenton, Virginia. Appointed by the National Research Council, he was 

responsible for making certain that an independent examination of this report was carried out 

in accordance with institutional procedures and that all review comments were carefully 

considered. Responsibility for the final content of this report rests entirely with the authoring 

panel and the institution. 
Copyright © National Academy of Sciences. All rights reserved.

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An Assessment of the National Institute of Standards and Technology Chemical Science and Technology Laboratory: Fiscal Year 2009

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vii 

Contents 

SUMMARY 1 

1 THE CHARGE TO THE PANEL AND THE ASSESSMENT PROCESS 3 

2 ANALYTICAL CHEMISTRY DIVISION 5 

Overview, 5 

Response to Recommendations from the Previous Report, 6 

Technical Merit, 6 

Projects Within the Organic Chemical Metrology Group, 6 

Projects Within the Inorganic Chemical Metrology Group, 7 

Projects Within the Gas Metrology Group, 8 

Summary, 9 

3 BIOCHEMICAL SCIENCE DIVISION 11 

Introduction, 11 

Technical Merit, 11 

Research Groups, 12 

Crosscutting Research Team, 16 

Infrastructure, 16 

Objectives and Impact, 16 

Conclusions, 17 

4 CHEMICAL AND BIOCHEMICAL REFERENCE DATA DIVISION 19 

Summary, 19 

Technical Merit, 19 

Chemical Reference Data Group, 20 

Computational Chemistry Group, 20 

Combustion and Kinetics Group, 21 

Infrastructure, 21 

Objectives and Impact, 22 

Conclusions, 24 

5 PROCESS MEASUREMENTS DIVISION 25 

Summary, 25 

Response to Recommendations from the Previous Report, 25 

Technical Merit, 27 

Infrastructure, 30 

Objectives and Impact, 31 

Conclusions, 31 

6 SURFACE AND MICROANALYSIS SCIENCE DIVISION 33 

Summary, 33 

Response to Recommendations from the Previous Report, 33 
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viii 

Technical Merit, 34 

Infrastructure and Support, 35 

Objectives and Impact, 36 

Conclusions, 36 

7 THERMOPHYSICAL PROPERTIES DIVISION 38 

Summary, 38 

Response to Recommendations from the Previous Report, 38 

Technical Merit, 38 

Infrastructure, 40 

External Interactions, 40 

Information Dissemination, 40 

Objectives and Impact, 41 

Conclusions, 41 

 

 
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1 

Summary 

Overall, the Chemical Science and Technology Laboratory (CSTL) of the National 

Institute of Standards and Technology (NIST) is meeting its obligations, objectives, and 

desired impacts, and its priorities are appropriate and aligned with NIST’s mission and 

priorities. The technical merit of the laboratory and the commitment of the staff are high. 

There is no evidence that any programs are jeopardized by a lack of facilities or equipment, 

and ongoing and planned new facility construction should greatly improve CSTL capabilities. 

The National Research Council’s Panel on Chemical Science and Technology has the 

following comments about the operation of the laboratory within this framework of CSTL’s 

clear and consistent success and high technical merit. 

1. The panel highlights the importance of having a CSTL strategic plan, involving all 

divisions and geographical locations, including a roadmap for progress, and 

commends the CSTL’s efforts in developing one. 

2. It is important for the CSTL to have a methodology and program for evaluating 

projects with respect to their contribution to the CSTL and NIST missions. This 

approach will facilitate the elimination of programs when they are no longer 

effective in meeting desired goals. The project prioritization process adopted by 

the CSTL is a positive step, and the panel looks forward to the execution of the 

process. 

3. Because of stable core funding, the CSTL does well with long-term programs that 

are aligned with the NIST mission. 

4. Greater external visibility of the professional staff and their nomination for 

external awards should be emphasized more; a committee to nominate staff for 

external awards would help in this regard. 

5. The CSTL should continue to emphasize the importance of its staff publishing in 

high-impact, refereed journals and giving invited talks. If these factors are to be 

used as performance standards and metrics, they and all other standards and 

metrics should be clearly communicated to the staff. 

6. Information technology problems related to system shutdowns and independent 

database development within CSTL divisions should be addressed. A policy 

change at the NIST level is required. 

7. Biological topics are becoming an increasing theme at the CSTL and NIST levels. 

The following are factors that the CSTL should consider in going forward: 

A. How will the CSTL prioritize the participation of the divisions, especially 

with respect to hiring decisions? 

B. What is the leadership role of the Biochemical Science Division? 

C. How will the CSTL coordinate its activities throughout its divisions and 

with other laboratories in NIST? 

D. How will the CSTL strategically partner with agencies and institutions 

outside NIST? How will workshops be a part of this partnering? 

E. Measurements and standards are NIST’s niche in this area. 
Copyright © National Academy of Sciences. All rights reserved.

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2 

8. With respect to intellectual property, a consistent policy on disclosures, 

copyrighting, and marketing is needed at the NIST level; this policy must be 

disseminated throughout the organization. 

9. Joint appointments of professional staff to two separate divisions within the CSTL 

would provide more flexibility in adding personnel in high-priority areas and 

would enhance interdisciplinary activities. Joint appointments with institutions 

outside NIST would also add to interdisciplinary capabilities. 

10. The CSTL should examine the balance of technicians versus PhD scientists to 

ensure that the scientists’ time is used most productively and efficiently. The 

addition of a few technicians might greatly improve the productivity and efficiency 

of the entire technical staff. 

11. The Process Measurements Division has been successful in automating its 

Thermometry Laboratory, with impressive results. This effort could serve as a 

model for automating other measurement laboratories that conduct repetitive tasks 

which must be done in a particular way. 

12. The CSTL should continue to seek, and should act on opportunities to lead in, 

collaborative activities in areas where it has strong expertise and where it has 

equipment available for use. 

13. The CSTL should consider and investigate media opportunities to publicize the 

usefulness of its capabilities. The panel thinks that more potential users of NIST 

services and products would come forward if they knew more about what NIST 

has to offer. 
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3 

1 

The Charge to the Panel and the Assessment Process 

At the request of the National Institute of Standards and Technology (NIST), the 

National Research Council (NRC) has since 1959 annually assembled panels of experts from 

academia, industry, medicine, and other scientific and engineering environments to assess the 

quality and effectiveness of the NIST measurements and standards laboratories, of which 

there are now nine,1 as well as the adequacy of the laboratories’ resources. In 2009, NIST 

requested that five of its laboratories be assessed: the Center for Nanoscale Science and 

Technology, the Chemical Science and Technology Laboratory (CSTL), the Electronics and 

Electrical Engineering Laboratory, the Information Technology Laboratory, and the NIST 

Center for Neutron Research. Each of these was assessed by a separate panel of experts; the 

findings of the respective panels are summarized in separate reports. This report summarizes 

the findings of the Panel on Chemical Science and Technology. 

For the fiscal year (FY) 2009 assessment, NIST requested that the panel consider the 

following criteria as part of its assessment: 

1. The technical merit of the current laboratory programs relative to current state-ofthe-art programs worldwide; 

2. The adequacy of the laboratory budget, facilities, equipment, and human 

resources, as they affect the quality of the laboratory’s technical programs; and 

3. The degree to which laboratory programs in measurement science and standards 

achieve their stated objectives and desired impact. 

The context of this technical assessment is the mission of NIST, which is to promote 

U.S. innovation and industrial competitiveness by advancing measurement science, standards, 

and technology in ways that enhance economic security and improve the quality of life. The 

NIST laboratories conduct research to anticipate future metrology and standards needs, to 

enable new scientific and technological advances, and to improve and refine existing 

measurement methods and services. 

In order to accomplish the assessment, the NRC assembled a panel of 21 volunteers, 

whose expertise matches that of the work performed by the CSTL staff.2

 The panel members 

were also assigned to six subgroups (division review teams), whose expertise matched that of 

the work performed in the six divisions in the CSTL: Analytical Chemistry, Biochemical 

Science, Chemical and Biochemical Reference Data, Process Measurements, Surface and 

Microanalysis Science, and Thermophysical Properties. These division review teams (each 

led by a team leader chosen from within the panel) individually visited the CSTL facilities in 

Gaithersburg, Maryland, and Boulder, Colorado, for 1 or 2 days, during which time they 

 1

The nine NIST laboratories are the Building and Fire Research Laboratory, the Center for Nanoscale 

Science and Technology, the Chemical Science and Technology Laboratory, the Electronics and Electrical 

Engineering Laboratory, the Information Technology Laboratory, the Manufacturing Engineering Laboratory, 

the Materials Science and Engineering Laboratory, the NIST Center for Neutron Research, and the Physics 

Laboratory. 2

 See http://www.cstl.nist.gov/ for more information on CSTL programs. Accessed June 1, 2009. 
Copyright © National Academy of Sciences. All rights reserved.

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4 

attended presentations, tours, demonstrations, and interactive sessions with CSTL staff. 

Subsequently, the entire panel assembled for 2 days at the Hollings Marine Laboratory in 

Charleston, South Carolina. There they toured the laboratory and attended overview 

presentations by CSTL management and interactive sessions with CSTL managers. The panel 

also met at this time in a closed session to deliberate on its findings and to define the contents 

of this assessment report. 

The approach of the panel to the assessment relied on the experience, technical 

knowledge, and expertise of its members, whose backgrounds were carefully matched to the 

technical areas of CSTL activities. The panel reviewed selected examples of the 

technological research covered by the CSTL; because of time constraints, it was not possible 

to review the CSTL programs and projects exhaustively. The examples reviewed by the panel 

were selected by the CSTL. The panel’s goal was to identify and report salient examples of 

accomplishments and opportunities for further improvement with respect to the following: the 

technical merit of the CSTL work, its perceived relevance to NIST’s own definition of its 

mission in support of national priorities, and specific elements of the CSTL’s resource 

infrastructure that are intended to support the technical work. These examples are intended 

collectively to portray an overall impression of the laboratory, while preserving useful 

suggestions specific to projects and programs that the panel examined. The assessment is 

currently scheduled to be repeated biennially, which will allow, over time, exposure to the 

broad spectrum of CSTL activity. While the panel applied a largely qualitative rather than a 

quantitative approach to the assessment, it is possible that future assessments will be informed 

by further consideration of various analytical methods that can be applied. 

The comments in this report are not intended to address each program within the 

CSTL exhaustively. Instead, this report identifies key issues. Given the necessarily 

nonexhaustive nature of the review process, the omission of any particular CSTL program or 

project should not be interpreted as a negative reflection on the omitted program or project. 

The rest of this report is organized in six chapters, which provide a detailed discussion 

of the assessment of the individual CSTL divisions, including resulting recommendations. 
Copyright © National Academy of Sciences. All rights reserved.

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5 

2 

Analytical Chemistry Division 

OVERVIEW 

 The activities of the Analytical Chemistry Division (ACD) of the Chemical Science 

and Technology Laboratory are focused primarily in two areas―fundamental chemical 

metrology and the development of measurement methods and standards, including the 

following: clinical diagnostics and health status markers, environmental monitoring, food 

dietary supplements and nutritional assessment, industrial commodities and advanced 

materials characterization, forensics and homeland security, nanoparticle characterization, and 

the hydrogen economy. The division maintains core expertise in analytical mass spectrometry, 

analytical separation science, atomic and x-ray fluorescence spectrometry, gas metrology, 

nuclear analytical methods, nuclear magnetic resonance (NMR) spectrometry, and classical 

and electroanalytical chemistry. The core expertise resides in four groups or teams (Organic 

Chemical Metrology Group, Inorganic Chemical Metrology Group, Gas Metrology Group, 

and Environmental Specimen Bank/NMR Team) and provides the capability for carrying out 

the division’s broad mission with flexibility so that it can respond to changing and evolving 

national priorities. The Environmental Specimen Bank/NMR Team is located at the Hollings 

Marine Laboratory (HML) in Charleston, South Carolina, which is a partnership with the 

National Oceanic and Atmospheric Administration (NOAA), the South Carolina Department 

of Natural Resources, the Medical University of South Carolina, and the College of 

Charleston. 

 The total FY 2008 ACD funding was $21.82 million, of which $4.23 million (19 

percent) was other-agency funding and $5.29 million (24 percent) was from standard 

reference materials (SRMs). As of March 2009, total funding was $21.29 million (including 

$0.39 million pending), of which $3.89 million (including $0.23 million pending), or 18 

percent, was other-agency funding and $4.22 million (20 percent) was from SMRs. The 

division staffing level is approximately 90 NIST full-time equivalents (FTEs) and 15 visiting 

scientists and graduate students. 

 The ACD has been meeting its obligations, and its priorities are appropriate. The 

technical commitment of the staff is high, and the availability of equipment and facilities is 

generally of a high order. The strong tradition of quantitative measurements within the ACD 

is very important work that helps many federal and state agencies achieve their goals. 

Examples include the division’s support of the Consumer Product Safety Improvement Act of 

2008 (Public Law 110-314), which addressed the need to detect lead (Pb) in paint on 

children’s toys; its assistance to the Environmental Protection Agency (EPA) in its mission to 

regulate mercury (Hg) in emissions from coal-powered-electricity generation; and its 

development of standards for the Office of Dietary Supplements in the National Institutes of 

Health (NIH). 
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6 

RESPONSE TO RECOMMENDATIONS FROM THE PREVIOUS REPORT 

 One of the concerns expressed by the Panel on Chemical Science and Technology 

during its 2007 review1

 centered on the general balance between service work and methods 

research. The concern is now formulated more precisely, as follows: the development of 

standard reference materials (SRMs) is a key component of the work of the ACD, and balance 

is needed between developing SRMs and establishing new analysis methods. The division 

does an excellent job of developing assays for the quantitative analysis of target analytes in a 

broad range of matrices—an area in which it excels. However, the panel raised concerns 

during its 2007 review about a shortage of staff in aerosol science and electrochemistry (listed 

among the ACD’s areas of core expertise), and those concerns remain unaddressed, as noted 

elsewhere in this chapter. 

TECHNICAL MERIT 

 In 2007, division researchers produced 57 publications and gave 163 talks (64 

invited). In 2008, division researchers produced 66 publications and gave 162 talks (71 

invited). For 2007–March 2009, 8 external awards and 7 internal awards were given to ACD 

staff. 

Projects Within the Organic Chemical Metrology Group 

 The Organic Chemical Metrology Group has a long history of excellence in 

quantitative measurements, particularly in separations. The group has diversified more 

recently into proteomics, NMR, and other techniques and is applying these techniques to 

important areas, such as nutritional analysis and marine environmental samples. Standards for 

conducting quantitative measurements of proteins are not well developed across the 

community, and the work being done by this project is both timely and important. The linkage 

of the project with leading proteomics projects through the National Cancer Institute (NCI) 

Clinical Proteomics Technology Assessment for Cancer (CPTAC) collaboration is especially 

valuable and connects the ACD staff with strong researchers in the field. Given the number of 

laboratories now engaged in proteomics, many of which do not have resident mass 

spectrometry experts, having standards for assessing the operation of the instrument and 

quality of the results is very important. These results are also being published in significant 

journals by members of the group as coauthors. However, this group should be leading 

publications in this area. Furthermore, it should consider the addition of a protein mass 

spectrometrist and a high-performance mass spectrometer to support its continuing work in 

proteomics and metabolomics. This group reported that it is expressing its own labeled 

proteins; it may want to consider working with other projects that do this on a large scale 

(e.g., structural biology projects), and it would have the infrastructure to do this. The 

metabolomics work, like the proteomics work, is very important; this project has been using 

multiple approaches to develop techniques and evaluate standards. 

 1

 National Research Council, An Assessment of the National Institute of Standards and Technology 

Chemical Science and Technology Laboratory: Fiscal Year 2007. Washington, D.C.: The National Academies 

Press, 2007. 
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7 

 The Analytical Chemistry Division is well known for its fundamental studies on shape 

recognition using reversed-phase chromatography. Strong progress on these efforts continues, 

with detailed molecular modeling studies on the three-dimensional structural attributes of 

these stationary phases. Based on this work and on its recent study on the solvation of 

perfluorinated octane, the division is now examining new stationary phases that utilize 

perfluoro functionalities; this should allow even greater molecular recognition. 

 The work on establishing standards for nutritional analysis has very high importance, 

and it provides good support for other federal agencies and in the arena of public health. A 

large number of SRMs have been developed—a need that will grow in the future. In addition 

to standards for nutritional supplement labeling, standards are being established for botanical 

supplements. This area is also growing quickly, and reliable methods for analyzing these 

supplements are very important. The development of techniques for the analysis of 

contaminants in human biofluids builds on long-standing expertise in understanding the 

impact of matrices on various assays. 

 The forensics and homeland security project, which interacts closely with the 

Department of Homeland Security (DHS) on the development of SRMs for the analysis of 

explosives, is one of several such efforts at NIST. The project has developed trace-explosive 

SRMs for use in portable instruments that are a vast improvement on the use of standards 

provided by manufacturers. The forensics and homeland security project has also begun to 

develop metrology and standards for canine detection of trace explosives. It was unclear 

whether the ACD group’s project has developed sufficient interactions with other groups 

outside of NIST with relevant experience. For example, the ACD will need to develop 

increased interaction with a larger project of forensics researchers if it is to optimize its 

participation in any NIST-wide response to the recent National Research Council report on 

forensics science.2

Projects Within the Inorganic Chemical Metrology Group 

 The Inorganic Chemical Metrology Group (ICMG) shows excellence in a range of 

analysis techniques, including inductively coupled plasma mass spectrometry (ICP-MS), 

inductively coupled plasma optical emission spectrometry (ICP-OES), neutron imaging, and 

x-ray fluorescence (XRF) spectrometry. The neutron imaging activities are aimed at 

achieving high-resolution (submicron) imaging. Neutron imaging has the potential to provide 

a quantum leap for materials research in fuel cell dynamics and hydrogen storage; for 

biological research, such as in nanomedicine; and for environmental research, including that 

on global warming. Major accomplishments of this innovative group include the development 

of new neutron converter prototypes and interesting designs of radiography components. 

 A very important ICMG study examines tissue-banked samples of seabird eggs from 

different locations in and around Alaska. An important set of new high-precision isotopic 

reference materials (RMs) containing multiple elements is being developed. Four new 

isotopic RMs containing Hg, Pb, thallium (Tl), and germanium (Ge) are planned for 2009-

2010 that will provide an important high-precision reference material for the community. This 

work was enabled by the acquisition of an inductively coupled plasma multicollector mass 

spectrometer with precision of a few parts in 106

. 

 2

 National Research Council, Strengthening Forensic Science in the United States: A Path Forward. 

Washington, D.C.: The National Academies Press, 2009. 
Copyright © National Academy of Sciences. All rights reserved.

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 Quantification of deoxyribonucleic acid (DNA) at the trace and ultratrace levels is of 

increasing importance in bioanalysis connected to applications such as nanoparticle drug 

delivery and disease monitoring. The ICMG is using ICP-OES to monitor the phosphorus 

emission signal from DNA. Plans to move to high-resolution ICP-MS from this project are a 

productive extension of this research project. 

 Handheld XRF devices have been manufactured to determine whether lead is present 

in the paint on imported toys. SRMs are needed to support these screening assays for low 

levels of lead. ICMG staff are developing new SRMs for this purpose and are benchmarking 

the new handheld instruments to determine if they can actually meet the performance 

standards of the Consumer Product Improvement Act of 2008. 

 This group has also developed a number of new standard reference materials since the 

panel’s 2007 review. Those of significant interest include the newly collected soil sample 

polluted with 500 parts per million (ppm) hexavalent chromium, the renewal of the San 

Joaquin soil, and urban dust. 

 The use of nanoparticles in medical and other applications continues to increase, and 

the ICMG has been working to establish capabilities for analyzing nanomaterials such as 

gadolinium-based magnetic resonance imaging (MRI) contrast agents, carbon nanotubes, and 

gold (Au) nanoparticles. One study on separating free and ligated-gadolinium-based MRI 

contrast agents is an important effort. However, this effort may not be at the leading edge of 

this technology, and more interaction with leaders in this area would be valuable to the 

project. The project on the development of a carbon nanotube SRM in collaboration with 

national laboratories in Canada demonstrated good scientific rigor. Ultimately, the impact of 

this standard will require the NCI and other health regulatory bodies to adopt it as a standard 

for carbon nanotube toxicity tests. The work on ICP-MS of Au nanoparticles and argon (Ar) 

gas electrospray ionization explores important scientific issues and is interesting; 

nevertheless, this work might benefit from interaction with a broader array of outside experts 

in these areas. 

 Inorganic electrochemistry is a capability that is missing in this group. Because this 

area is central to both the hydrogen economy and growing research and development activity 

in battery technologies, there is a clear need to hire a new PhD-level electrochemist, as was 

noted in the panel’s 2007 review. 

Projects Within the Gas Metrology Group 

 The Gas Metrology Group is fulfilling the current standardization needs of several 

industrial and federal regulatory communities. It provides gas standards that will be required 

for monitoring all of the established greenhouse gases. This group is also well prepared to 

move into the realm of gases likely to come under regulation in future years, such as the 

halocarbons. The project effectively plays a central role among the national metrology 

institutes (NMIs) on various aspects of monitoring global warming gases. The project is also 

preparing the laboratory and SRM infrastructure needed for the hydrogen economy. 

 The Gas Metrology Group’s close interaction with the Environmental Protection 

Agency and instrument manufacturers will soon complete scientifically sound and legally 

defensible protocols for monitoring Hg emissions from coal-fired electricity generation plants. 

These efforts have been critical to the Mercury Demonstration Project and the EPA’s mandate 

to regulate Hg emission from coal combustion, which constitutes a major national 
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environmental problem as the dominant anthropogenic source of environmental Hg 

contamination. 

 Related standards projects support important international atmospheric monitoring 

activities such as the World Metrology Organization’s Global Atmosphere Watch Program. 

For example, the NIST Standard Reference Photometer is critical to ozone measurement 

traceability. 

 The addition of two permanent BSc-level scientists to this unit since 2007 has 

improved the ability to support the activities of the Gas Metrology Group. However, there 

remain two significant, looming shortcomings in this group. The first is one of succession—

the project has not yet recruited any new PhD-level permanent staff scientists needed to 

ensure continuity in this project in the coming decades. This short-staffing could quickly 

become dire if cap-and-trade schemes for controlling global warming gas emissions are 

mandated nationally. The second shortcoming is the absence of expertise in the area of 

atmospheric aerosols, which arguably account for the largest uncertainty in models of global 

warming and are the subject of increasing activity by the scientific community. As 

opportunities in this area quickly develop, the ACD should strategically evaluate the direction 

of this group and the recruiting strategies required to ensure the group’s future success. For 

example, the division should consider adding scientists experienced in aerosol mass 

spectrometry and high-resolution gas phase spectroscopy, among other areas. 

SUMMARY 

 The Analytical Chemistry Division continues its high-impact contributions in key 

areas of importance to industry, federal agencies, and researchers across the nation and around 

the world. The staff’s work is well aligned with NIST’s core missions. Over the years, the 

ACD has evolved from instrumentation research to focusing more on establishing standards 

and analytical methodologies. This is a reflection of the field in analytical chemistry in 

general. The division must continue to implement and evaluate state-of-the-art technology in 

analytical chemistry. It also needs to maintain awareness of new developments in the field so 

that it can adapt quickly to new techniques as well as develop them in-house. The ACD has 

been reaching out to collaborate with many research groups, both inside and outside NIST. 

With its valuable expertise, the ACD should take action to be leading more of these 

collaborations. 

 Cutting-edge work with potentially high impact is highly evident within the ACD, 

including the neutron imaging work and the Hg isotope ratio work on marine tissue. The 

division is doing an excellent job of generating standards and trace analysis methodologies 

using commercial instrumentation, which is congruent with its mission. In a few areas, the 

methods being used may not be leading-edge. 

 The ACD has highly recognized strengths, yet it must be careful that over the long 

term it does not evolve to having primary expertise in its currently strong areas of separation 

science and inorganic analysis. Maintaining new perspectives is critical for the division’s 

future. ACD management should reinforce hiring practices that bring in new people with new 

perspectives, including perspectives that result from training in other organizations. Having 

the division’s young environmental scientist from Charleston, South Carolina, receive further 

training in France is a good example of broadening perspectives by bringing in people with 

multidisciplinary backgrounds. 
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 An important aspect of this division’s output is its reporting of results to the scientific 

community. At present, the rate is about one publication per scientific FTE. It is 

recommended that the ACD work with its staff to increase its publication rate, with more 

publications in high-impact journals such as Analytical Chemistry, Nature Methods, and 

others, where the work of the division would be read by a broader audience of the analytical 

chemistry community. In addition, more attention should be given to having ACD staff 

become more visible in the scientific community. 
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3 

Biochemical Science Division 

INTRODUCTION 

 The Biochemical Science Division (BSD) has the charge of biochemically and 

biologically based measurement methods, data, reference materials, and predictive models. It 

has a diverse staff that includes 56 scientists and 45 guest researchers. The division is 

structured as six research groups: Cell Systems Science, Applied Genetics, Macromolecular 

Structure and Function, Multiplexed Biomolecular Science, Bioassay Methods, and DNA 

Science. There are four cross-boundary teams: Nanotoxicity, Microfluidics, Biosecurity, and 

Cellular Biometrology. As described below, the panel reviewed the six research groups and 

one of the cross-boundary teams (Nanotoxicity) as an example of how the team concept 

functions. 

 The BSD budget is derived primarily from the scientific and technical research 

services (STRS) funding (68 percent). Mission-focused research from other agencies 

contributes 22 percent to the budget. The division also generates approximately $0.8 million 

annually from measurement services. Sixty-five percent of the budget is invested in 

bioscience and health-related activities. The BSD also receives approximately $500,000 per 

year to purchase capital equipment. 

 In addition to the broad assessment criteria described in Chapter 1, the panel 

considered the following issues in its assessment of the Biochemical Science Division: 

1. What are the unique contributions made by the division that result from its 

being at NIST? 

2. Does work in the division result in a NIST product? 

3. Is the division operating at a state-of-the-art level in each of its component 

groups? 

4. Is the division greater than the sum of its parts? 

TECHNICAL MERIT 

 Overall, the reorganization of the Biochemical Science Division over the past 2 years 

has produced positive outcomes. The division has been restructured into six groups, each 

with a group leader. Cohesion within the division has been addressed by establishing 

crosscutting technology teams. These teams were not well defined; how they function was 

not made clear to the panel. One of these intramural teams, the Nanotoxicity Team, served as 

a sample to provide insights into how this concept functions. The Nanotoxicity Team was 

very enthusiastic, but the strategy for technical management of the team was not made clear—

for example, how the staff interact through regular meetings, research presentations, and joint 

laboratory meetings. Therefore, how these teams add synergistic value to the division was not 

made evident. 

 Comments made to the panel by every group leader and by younger staff and 

postdoctoral researchers interviewed suggest that staff perceive the reorganization of the 
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division to be a general success. Communication among the division management was 

reported to have improved. The groups are smaller than before, with an average staff of 8 to 

10 people, allowing group leaders to devote more time to research and mentoring. However, 

there was insufficient information to permit assessment of the effectiveness of communication 

among the groups. 

Research Groups 

Cell Systems Science Group 

 The Cell Systems Science Group has as its vision to assist in the evolution of biology 

to a quantitative science and as its goal to model data on complex biosystems. Its focuses 

include stem cells, nanoparticles toxicity, imaging signaling pathways, and data and 

informatics. To accomplish its goals, the group has three core areas: bioinformatics, cell 

quantitation, and predictive models of complex processes. The group, which consists of 

biologists, biochemists, and bioengineers, is almost completely funded by STRS. While this 

cushions the group from large shifts in funding, it does not encourage the group to seek peerreviewed recognition of its work. 

 The group has developed several innovative technologies that have potential for 

making a real difference to cell biology, but it has not yet been able to successfully engage 

outside groups such as the ATCC (the Global Bioresource Center) to achieve this goal. There 

is need for coordination between the group and the technology licensing office at NIST. A 

major challenge is the need for the laboratories to grow, not only within the group but through 

partnerships with other laboratories throughout NIST. 

 While the databases (HIV Structural Database, BIOFUEL Database, Bio Imaging 

Database, and Thermodynamics of Enzyme-Catalyzed Reactions) created within the group are 

well received, there is a need to move bioinformatics to a more forward position, which will 

require additional staff members who understand the domain. The group has done 

commendable work with the U.S. Food and Drug Administration (FDA) and ASTM 

International in the development of guidance documents for cell imaging. The group’s 

biggest challenge is the possibility that funding could erode over time. One way that this 

challenge can be addressed is by partnering with other government agencies, including the 

FDA and the National Institute of General Medical Sciences. 

Applied Genetics Group 

 The main mission of the Applied Genetics Group is to provide reference material for 

human, animal, and plant identification through genetic testing. The group has had a very 

successful program in partnership with (and funded by) the National Institute of Justice (NIJ). 

This work constitutes approximately 60 percent of the group’s funding and should be stable 

for a number of years to come, because the group has met or exceeded the NIJ’s expectations 

over the years. This work is widely recognized by the forensics community; the group leader 

is frequently invited to present talks and has written the definitive textbook on the topic. 

 The Applied Genetics Group needs to build on the significant base that it has 

established in developing technology and standards for DNA forensics. A number of 

opportunities are being pursued, including being part of a proposed national institute of 
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forensic science. If such a center is created, NIST has to play a major role; therefore, the 

highest level of NIST management should be engaged in pursuing this opportunity. 

Developing standards (reference materials and databases) for clinical genetic assays may be 

another good opportunity, but there are many challenges that need to be overcome. One of 

these is overcoming the technical gap with the state of the art in sequencing technology. 

Short tandem repeat (STR) may be state of the art for forensics, but is old technology for the 

rest of the genomic field. The sequencing technologies are evolving exponentially, and to 

maintain a state-of-the-art program NIST will have to devote significant resources to acquire 

staff and equipment. A second challenge is that of overcoming regulatory hurdles. Working 

with clinical samples requires a considerable amount of regulatory and legal approvals; at 

present, NIST appears to be hesitant about and very slow in granting these. Another 

challenge is to address the lack of clinical partnerships. The group identified two examples 

(Huntington’s disease and cytomegalovirus) where work has started in these areas, but a 

considerably larger effort will be needed to identify the clinical applications for which NIST 

can provide unique value. Partnering with clinical researchers will be helpful in identifying 

relevant clinical problems. The group should form a strategic partnership with NIH to identify 

areas of unmet need and opportunities for future funding. 

 The Applied Genetics Group has suggested forming a partnership with the ATCC to 

help them improve quality control of cell lines; this is an excellent opportunity and would be a 

great fit for this group. A successful NIST program in this area would result in saving 

significant amounts of money and time for experimenters relying on these cell lines for their 

work. 

Macromolecular Structure and Function Group 

 The Macromolecular Structure and Function Group (MSFG) has as its charge to 

develop novel measurement methods and models to assess structure and function. The work 

in this group has applications in drug discovery, homeland security, protein engineering, 

biomanufacturing, and nanotechnology. The group is housed at the Center for Advanced 

Research in Biotechnology (CARB) and consists of seven staff scientists and one NRC 

Fellow. (CARB is a partnership among the University of Maryland Biotechnology Institute, 

NIST, and Montgomery County, Maryland.) The efforts of the group are augmented by one 

PhD student and five postdocs in the laboratory at the University of Maryland. While the 

MSFG receives impressive core funding from STRS, it also is able to apply for NIH grants 

through CARB and thereby to increase its total available dollars for research. The group was 

awarded $5 million in stimulus funding through the American Recovery and Reinvestment 

Act of 2009 (Public Law 111-5) to purchase an ultrahigh-field 950 MHz NMR system and has 

access to standard as well as state-of-the-art protein analytical instrumentation. The 

investment made in this quality of equipment will require a dedicated staff person to ensure 

that it retains its value. Given the real need in the biological and medical communities for 

solid standards for follow-on biological drugs, this is an important investment for NIST. 

 The MSFG is involved in a variety of research projects, including the processing of 

signal proteins and complex assemblies, ribonucleic acid (RNA) binding proteins, biological 

membranes and membrane proteins, and glycoproteins and biologics. Group members have 

also begun to investigate “green” (environmentally friendly) protocols for processing carbon 

nanotubes and are in the process of patenting and licensing the technology. Despite its many 
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successes, the group has significant challenges. It must make strategic hires to remain 

competitive. More funding is needed to develop the biologics program fully. Because CARB 

provides off-site facilities, there needs to be more effort in harmonizing and maximizing the 

multi-institutional relationships involved. 

Multiplexed Biomolecular Science Group 

 The vision of the Multiplexed Biomolecular Science Group is to use its expertise in 

physical and chemical sciences to enable genome-scale multiplexed measurements of 

biological systems. The group proposes to do so by developing infrastructure for standards 

and measurement science tools. The major efforts in the group are in the application of 

metrology to microarray data analysis and in microfluidics. Emerging programs include nextgeneration sequencing, the development of microbiological genomic standards, and metrology 

for multiplexed disease signatures. 

 This group is the most innovative in the division, as evidenced by the large number of 

publications, two Innovations in Measurement Science (IMS) projects (the only two in the 

division), and most of the patents in the CSTL. The IMS on microarray metrology is ending 

this year and was an extremely successful program. It led to the formation of the External 

RNA Control Consortium, hosted by NIST and its participants, which includes virtually every 

major genetic-analysis instrument and reagent manufacturer, many pharmaceutical and 

diagnostic companies, and numerous federal agencies and universities. This effort also 

resulted in the inclusion of sequence as a certified property by the International Organization 

for Standardization (ISO). 

 Another major effort of this group is the application of microfluidics technology to 

develop novel protein separation and quantification techniques. This team is innovationdriven and is charting its own course, somewhat independently of the mission of the division. 

While there is no doubt about the technical quality of this team’s work, its alignment with the 

mission was unclear to the panel. Microfluidics is a strong capability for NIST, and the 

management and the researchers should find a better fit with the mission of the division. 

 While the current work of the Multiplexed Biomolecular Science Group is of very 

high quality, its plans for future work were not as concrete and clear. The group intends to 

become a major player in next-generation sequencing, metrology for disease signatures, and 

single-cell transcriptomics, but no concrete plans were presented to identify the unmet need or 

the driving biological or clinical problem, overall goals, and alignment with the NIST 

mission. The group does not have the critical mass of expertise in either genome biology or 

bioinformatics to match or exceed the state of the art in biomarker discovery, next-generation 

sequencing, or single-cell transcriptomics. 

Bioassay Methods Group 

 The Bioassay Methods Group pursues research into new bioassay formats and 

materials, promoting standardization and defensible measurement claims through methods 

optimization and validation. This group also provides standard reference materials and 

reference data to support a broad range of health-, defense-, environmental-, and energyresearch-related customers. This is the largest and most diverse group in the Biochemical 

Science Division, and as such it faces strong challenges in terms of the management of 
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personnel and resources. The group has strong technical leadership, but the effort lacks a 

coherent vision statement. 

 The Bioassay Methods Group has a good mix of funding from core sources and 

external sources. Of all of the groups in the Biochemical Science Division, this one displays 

the best balance between the research and the traditional NIST mission of generating standard 

reference materials. The current mixture of employees, however, relies too heavily on 

contractors. Further, a long-term plan is needed to transfer the expertise and knowledge from 

the retired NIST cohort to the rest of the group. 

 The task of generating reference materials is nicely represented here. In order for the 

reference material and database area to flourish, the leadership of NIST must continually 

place adequate emphasis on these tasks and incentivize employees, including postdocs, for 

supporting this key function. 

 There are several areas of growth that this productive group could explore in order to 

increase its influence. A vision statement should be developed to encompass the major 

activities of the Bioassay Methods Group and allow for a continued balance between research 

and SRM activities. The criteria to evaluate employee performance may place greater 

emphasis on service, patents, publications, fundraising, and, more importantly, generation and 

support of SRMs. Alternatives to the Hirsch index (which measures the impact factor of 

publication) should be considered. The exact focus for the biofuel activities should be 

explored and optimized. Instead of defining standards for biofuels that may not have large 

economic impact, the group could partner with the leaders in the field and move its effort 

toward generic methods for biofuel standard classification. As another growth area, the 

Bioassay Methods Group should place more emphasis on protein measurements. Current 

efforts for protein characterization in other NIST divisions focus on structural aspects of 

protein characterization. The bioassay elements of protein measurements are not well covered 

by other NIST efforts, but they are key to homeland security and to clinical and general 

research activities. 

DNA Science Group 

 The DNA Science Group has achieved highly significant results and recognition for its 

research in oxidatively induced DNA damage and repair. These research accomplishments 

reflect a long-term investment at NIST in a relatively specific area that integrates deep 

understanding of mass spectrometry and genetic science. Today, changes in DNA structure 

are more important than ever, as researchers can potentially develop new biomarkers, 

diagnostics, and therapies employing this understanding, and these advancements should 

continue through appropriate external partnerships. Within NIST, there is opportunity to 

extend these core competencies in mass spectrometry and DNA biochemistry across other 

project areas and applications that could benefit by this expertise. The group’s strong team 

and leadership could help enable this broader influence and impact. Retirements have led to 

key gaps in other parts of the division, and it is important that NIST leadership ensure that the 

group leader’s expertise propagates to his team. 
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Crosscutting Research Team 

Nanotoxicity 

 Nanoparticles represent a globally important area in need of improved, more 

standardized measurement methodology. Toxicity, the focus identified within the 

Biochemical Science Division, is especially relevant as these new components are becoming 

increasingly prevalent in advancing materials, electronics, and life science and health care 

applications. The emerging crosscutting program in nanotoxicity is encouraging, but current 

efforts may not be sufficiently focused or distinct to elevate NIST into a leadership position in 

this area. The division should develop a comprehensive view of the needs and efforts 

underway in the United States, Europe, and Asia in order to identify the unmet needs that 

could best be advanced by the talent and capabilities at NIST. Once that view is attained, 

NIST should set clear objectives and leverage across university, government agency (FDA, 

EPA), and industrial stakeholders to achieve its goals. Efforts should perhaps include 

organizing workshops or consortia for this scientific community. 

INFRASTRUCTURE 

 It is encouraging that stimulus funding is being used to address some large equipment 

needs of the division, but this may not be adequate to ensure that the investigators will be 

operating at a state-of-the-art level. It is not necessary for NIST to have the best and finest of 

each type of instrument, given the quality of expertise nationwide. However, NIST is often 

the only group to apply many of these instruments and techniques to the analysis of a given 

material or method, so it is essential that the investigators in the Biochemical Science 

Division have access to top-level instrumentation. If funding is not available within NIST, it 

is critical that the division be willing to strike strategic partnerships with other divisions and, 

whenever possible, avoid the duplication of equipment and expertise. The panel believes that 

this collaborative spirit would also improve buy-in from other divisions toward the mission of 

the BSD, because those divisions would be better informed and would be stakeholders. 

As noted above, the Applied Genetics Group must overcome the technical gap with 

the state of the art in sequencing technology. The sequencing technologies are evolving 

exponentially, and NIST will have to devote significant resources to acquire staff and 

equipment to maintain a state-of-the-art program. 

The Macromolecular Structure and Function Group has received funding to purchase 

an ultrahigh-field 950 MHz NMR system and has access to standard and state-of-the-art 

protein analytical instrumentation. The investment made in this high-quality equipment will 

require a dedicated staff person to ensure that it retains its value; this is an important 

investment for NIST. 

OBJECTIVES AND IMPACT 

 The role of the Biochemical Science Division as the home of biology within NIST 

needs to be strengthened. NIST, like many institutions, has embraced the concept that 

biology-inspired technologies are important going into the 21st century, but it has not yet 

assigned the leadership role to the BSD in this. The BSD has formed strong alliances with 
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appropriate standards organizations in the extramural community, including academia (the 

Microarray Gene Expression Data Society), industry (ASTM International’s Committee F04 

on Medical and Surgical Materials and Devices), data management and database 

organizations, and the ISO (nanotoxicity). It is partnering with other institutions such as the 

Institute for Systems Biology. The BSD should develop similar strategic relationships NISTwide. One possibility would be to provide internal review of all biologically related research 

projects being considered by NIST for funding. Another possibility is to establish a seed 

grant program in which members of the division partner with scientists in other NIST 

laboratories. 

Importantly, the division needs to forge a unifying strategic plan and promulgate a 

vision that clearly reinforces its importance to biological activities and that elucidates the fact 

that the division consists of more than a concatenation of groups doing work in biology. Many 

of the BSD’s groups are looking for new opportunities, but the interactions were initiated and 

managed at the group-leader level. It is always good to develop bottom-up interactions 

whenever possible, as is the case with the partnership with the National Renewable Energy 

Laboratory, but without an overall strategy the likelihood of success is reduced. The BSD 

chief should work with her group and team leaders to establish a unifying strategic plan that 

reflects input at all levels. 

CONCLUSIONS 

 Overall, the depth and breadth of the research program in the Biochemical Science 

Division are impressive. The division leadership and staff share a common vision. It is 

important now to articulate this vision upward throughout the NIST management group and to 

assert the central role of the division in biological standards and technology. This may 

require additional strategic hires, particularly biologists and clinicians to complement the 

bioengineers and analytical chemists. Partnering is another approach that should be 

considered. This can be achieved by developing consortia that include the medical 

community and industry. NIST is not structured to deal with human tissues and human 

clinical trials. Perhaps the division could best contribute by serving as a calibrator and 

developer of standard reference materials and methods. 

 The Biochemical Science Division should identify what it considers to be success in 

the context of NIST. There may be too many small efforts to make a major impact. An 

overarching strategy should be articulated and priorities set, based on identifying what kinds 

of activities can best be done in the NIST environment. Many of the groups have done this, 

but a top-down alignment of research with the division mission is missing. Once this is 

achieved, the management team will have less difficulty in sifting through the projects to 

determine which are the most important to pursue going forward. 

 Specific recommendations are as follows: 

1. The nanoparticles research should focus on toxicology and should identify the 

most important problem for NIST to solve. Technologies for assessing the quality 

of nanoparticles are needed. The group should focus on what is happening in the 

broader community and should connect with it. This crosscutting team is close to 

being a core program within the division. The group needs strong input from 
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FDA/Environmental, Health and Safety, as well as input from clinicians and 

industry. 

2. The Cell Systems Science (CSS) databases are good, but they need strengthening 

with respect to bioinformatics. The studies on fluorescence imaging address an 

important problem. The staff at that laboratory should be a focus on setting 

standards and quantitative methods for doing assays. Similarly, the microfluidics 

laboratory should consider the development of protocols and standards. Overall, 

the Cell Systems Science Group has strength in the quantitative measurement of 

cells, but there is need for more external validation of the group’s work through 

extramural funding. 

3. The Applied Genetics Group is well aligned with the NIST mission and is a model 

for group funding. If the overarching mission of the division includes medicine, 

this group should strengthen its applications to the medical community through the 

Centers for Disease Control and Prevention and to the ATCC. 

4. The DNA Science Group’s work in DNA damage and repair is among the best. 

The group should take the opportunity to collaborate with other groups, 

particularly with respect to biological mass spectrometry. A leadership transition 

plan is needed. 

5. The research in the Macromolecular Structure and Function Group is outstanding. 

This group is a model of creative partnering, but it is important that the CARB 

laboratory fully embrace the NIST mission. NIST should clarify what it wants for 

its impressive investment in this laboratory. This group should address the issue 

of biosimilars (versions of existing biopharmaceuticals whose patents have 

expired). 

6. The Bioassay Methods Group is the largest in number of staff, but it relies on 

contractors, perhaps too much. This group provides the best balance of science 

with measurement standards within the division. It may not be necessary to use 

senior scientists’ time for this when technical staff can do the follow-through more 

effectively. The leadership should develop a forward-looking vision to unite the 

SRM teams with the research teams. 

7. The Multiplexed Biomolecular Science Group has diversified funding and has 

successfully competed for two IMS grants. This group is making an impact on the 

field outside NIST with respect to microarrays. By interacting with other 

laboratories in the division, the group should broaden its expertise to include 

proteomics. 

8. Overall, the microfluidics competence within the Biochemical Science Division is 

excellent, but it may not be being used to its greatest advantage. The management 

team should consider how to better align this expertise with the NIST mission. 
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4 

Chemical and Biochemical Reference Data Division 

SUMMARY 

The Chemical and Biochemical Reference Data Division (CBRDD) performs 

experimental, theoretical, and computational research on the identity and reactivity of 

chemical species, emphasizing data, information, and protocols for the identification of 

chemical and biochemical species. The CBRDD provides critical databases for research and 

industrial process design. 

Division programs fit well with national priorities and NIST focus areas. The 

CBRDD is a critical national and international resource. The division, in concert with the 

leadership of the Chemical Science and Technology Laboratory, has moved swiftly and 

thoughtfully to help meet urgent national and global challenges. The division’s databases are 

essential for process design in existing, nascent, and future industries. These databases are 

used heavily by researchers throughout industry, government laboratories, and academic 

institutions. The NIST Chemistry WebBook (a Web site [http://webbook.nist.gov/] used by 

scientists, engineers, educators, and the general public, which provides access to a range of 

physical and chemical property data on chemical species and reactions) receives more than 2 

million views per month. The division’s research programs are addressing some of the most 

pressing problems of the present time: energy supply (biofuels) and utilization (combustion 

modeling); global climate change (atmospheric chemistry of global warming gases and 

aerosols, and possibly carbon cap-and-trade metrics); and health care (standards for diagnostic 

tests and for therapeutics). 

The groups within the division are working well with one another and with other 

divisions on problems of mutual interest. This is particularly evident in the testing of 

experimental data against theoretical results. The overall mood of CBRDD staff appears to be 

strongly positive, with researchers who are dedicated to maintaining and enhancing the 

international stature of NIST. The creation by the CSTL of Division 832 (CBRDD) from the 

Gaithersburg, Maryland, portion of CSTL’s Division 838 (Physical and Chemical Properties 

Division) appears to have been seamless. Researchers in Division 832 are pleased with the 

improved accessibility of management, and managers benefit from the reduction of travel 

between the Gaithersburg and the Boulder, Colorado, sites. The panel found numerous 

examples of continued and productive collaboration between the two sites. The work of the 

division is well focused and on target, and its quality, quantity, and impact are excellent. 

TECHNICAL MERIT 

The Chemical and Biochemical Reference Data Division is composed of 3 groups 

(Chemical Reference Data, Computational Chemistry, and Combustion and Kinetics), with 34 

staff members (31 technical staff and 3 office support staff) and a number of postdoctoral 

associates and guest researchers. The division has 2 NIST Fellows and 1 Scientist Emeritus. 

The division’s operating budget is approximately $9.95 million (40 percent appropriated, 49 

percent measurement services, and 8 percent from other agencies). In 2007, division 
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researchers produced 25 publications and gave 9 talks and 5 poster presentations. In 2008, 

division researchers produced 21 publications and gave 33 talks (2 invited) and 4 poster 

presentations; 15 publications are in press, have been submitted for publication, or were 

published in 2009. 

Chemical Reference Data Group 

The Chemical Reference Data Group is providing a unique and highly valued service 

to scientists and engineers in all types of institutions worldwide. The group continually 

strives for accuracy and validation of its standard reference data (SRD), as well as the 

completeness and user-friendliness of its services such as the WebBook and its participation 

in InChI (International Chemical Identifier, an International Union of Pure and Applied 

Chemistry [IUPAC]-supported, molecular identification methodology). The Mass Spectral 

Library remains highly regarded and in demand by the professional community (academe, 

industry, government). Outside revenues from the library constitute 48 percent of the 

division’s total revenues from sales of standards. The proteomics project is forward looking, 

setting a goal of standardization of peptides and genetic markers similar to what has been 

achieved for simple molecules. The excellent collaboration with the theory group in 

constantly testing theory and experiment against each other and in the providing of data of 

established accuracy from both sources is a great strength of NIST’s contribution to research 

and to industrial process design. 

Computational Chemistry Group 

The Computational Chemistry Group has evolved into a group that provides essential 

information to support the experimental programs in the Combustion and Kinetics Group as 

well as providing the fundamental data and theoretical support to the data analysis groups 

doing fluid simulation studies in Boulder. The group has many overarching responsibilities in 

the Chemical and Biochemical Reference Data Division. It has technical expertise in the 

areas of quantum chemistry method development and of statistical mechanics. These areas 

allow breadth of coverage of a range of chemical problems that span from atomic to 

macroscopic scales. 

The group has made two significant advances: (1) it has developed a new HuckleDensity Functional Tight Binding method that has better parameterization and is more 

efficient for calculating molecular properties of large molecular systems, and (2) it has 

developed an efficient new method that can examine electron conductance in molecular 

systems. This advance has reduced computational times from months to minutes, and the 

software is platform-independent. 

 In two areas, new personnel would assist the group in addressing problems related 

to NIST’s current mission. One area not fully covered by the group is expertise in dynamics 

of chemical processes. For example, a new hire in the area of quantum dynamics would 

provide an important bridge of expertise within the group as well as expand the kinds of 

problems that the Computational Chemistry Group can tackle within the division. 

Currently the group has expertise in density functional but not semi-empirical methods for the 

computation of fundamental properties of known accuracy for molecular systems larger than 

50 atoms. 
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Combustion and Kinetics Group 

The Combustion and Kinetics Group has maintained its historical excellence and has 

moved forward aggressively to meet the new challenges of the 21st century (e.g., programs on 

Real Fuels, Photochemistry of Global Warming Gases, and potentially the Chemistry of 

Atmospheric Aerosols). It is setting the standard for excellence and precision for shock-tube 

studies of combustion chemistry and for the reactions of hydroxyl (OH) radicals. The shocktube studies of the decomposition of (present-day and alternative) fuel molecules and of the 

radicals so formed are critical for predicting the performance of fuels and engines for the 

future. The measurement of diffusion coefficients as well as reaction rate constants for both 

stable and reactive species is critical for the simultaneous treatment of chemical kinetics and 

turbulent flow in real engines. The production of a database for the pyrolitic decomposition 

of all linear hydrocarbons is a major contribution. 

 The atmospheric chemistry of global warming gases, especially their reactions with 

OH, must be modeled accurately in order to predict global climate. The careful 

measurements of rate constants for reactions over the full range of atmospheric temperature 

and pressure are another major contribution of this group. 

 The proposed work on aerosols for potential assessments of global warming should be 

pursued vigorously. The aerosols field is badly in need of measurement techniques and 

standards. Aerosols are a serious missing piece in models of atmospheric chemistry for both 

global warming and air pollution and are important in the performance of combustion 

engines. 

 The group’s Gas Phase Kinetics Database is heavily used and will have great value for 

many applications in coming decades. Although it is very useful in its present form, it is a 

compendium (no evaluation) that would benefit from evaluation to prune out mistakes and 

from some work to add more data. An increase in effort level would have substantial value. 

With respect to metrics, the CBRDD reported 20 journal articles published in calendar 

year 2008 by its staff, which includes 21 PhDs. There were 32 talks and presentations at 

meetings, only 2 of which were noted as invited. Members of the division were not among 

the award recipients reported by the CSTL. 

For the division, and for the CSTL overall, there should be more emphasis on refereed 

publications and on invited talks. There also should be more effort made to encourage staff to 

pursue, and to help them attain, external awards. Many staff members should be fellows of 

the American Physical Society, the American Association for the Advancement of Science, 

the American Chemical Society, and numerous other professional organizations. Awards 

from such organizations are useful stepping stones to other national professional awards. 

INFRASTRUCTURE 

 Access to the databases of the CBRDD is interrupted by network shutdowns, which 

happen unpredictably, for periods of time as long as 6 to 12 hours. These interruptions limit 

access to the database for reference by the outside community and by the staff for making 

necessary upgrades to the database. These databases are used internationally and must operate 

with 100 percent reliability “24/7”; anything less is a serious blemish on the credibility of the 

United States as a technology leader among nations. 
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 The Chemical Reference Data Group is adequately staffed and supported. The 

laboratories appear to be in very good repair and well maintained. Equipment for the group is 

leading edge (e.g., Ion Trap/Quadrupole Time of Flight) and in good working order. There 

are, however, significant opportunities for important improvements in some of the databases, 

a number of which are supported by a 0.5 FTE or less effort. The overall effort level on the 

databases in the division might be improved by more positive recognition for these activities 

by NIST management. 

 The Computational Chemistry Group could use two new staff members to help it 

address problems related to the dynamics of chemical systems and to provide accurate 

fundamental property information for large chemical systems. These two hires would help 

the group meet its overarching responsibility for providing accurate data for groups within the 

division. 

 The instrumentation and personnel for conducting shock-tube experiments have 

almost entirely fallen out of use in the United States. This experimental tool, in the hands of 

the Combustion and Kinetics Group, is the way to obtain quantitative chemical information at 

combustion temperatures and pressures. Historically, shock tubes have been a laborious and 

imprecise way to obtain reaction rate constants and mechanisms. Therefore, it is critical to 

provide the best possible equipment for tackling 21st century combustion and atmospheric 

chemistry problems. The new shock tube designed for studying soot and polyaromatic 

hydrocarbon (PAH) formation in combustion should be of the highest priority. 

 Equipment is needed for new experiments in order to provide measurement standards 

for aerosols and data on aerosol chemistry, particularly as it relates to climate change. This is 

a high priority for NIST’s mission. 

 The 1960s buildings of the CSTL are badly in need of renovation, which should be 

funded promptly. If this is not done, a great deal of time and money will be wasted in 

attempting to operate safely and productively with dysfunctional building systems. Scientists 

should be an integral part of the design effort so that research can be carried out safely and 

efficiently in compliance with modern standards. 

OBJECTIVES AND IMPACT 

The expressed goals of the Chemical and Biochemical Reference Data Division 

include the following: 

 Provide databases on the properties, thermodynamics, reactivity, and rate constants 

for chemical species, from atoms and small molecules to biological molecules and 

nanoparticles; 

 Distribute electronic databases and software in a manner that is convenient to 

NIST’s customers; 

 Establish validated databases for peptides and proteins to enhance proteomics 

research and development; 

 Use theory and experiment to improve the understanding of the underlying physics 

and chemistry of peptide ion fragmentation in order to provide more robust 

procedures for inferring the identity of a peptide ion from the masses and 

abundances of its fragments; 
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 Work with the IUPAC to perfect the InChI data standard; 

 Provide quantitative and accurate data from theory and new experiments that 

complement and test existing experimental data; 

 Provide theoretical support for NIST work in data evaluation and chemical 

property measurements; 

 Provide state-of-the-art theoretical tools that are tested against the best 

experimental data to establish their accuracy and reliability; 

 Develop resources to provide guidance to non-experts on theoretical methods; 

 Provide databases and tools for chemical reaction rates and transport processes for 

atmospheric and combustion chemistry modeling to support the design of new 

combustion engines, efficient combustion equipment, and effective climate change 

reduction strategies, and the study of atmospheric pollution. Support applications 

to alternative fuels and global warming; and 

 Provide a consistent, high-quality compilation of solvation thermodynamics data 

for a set of pure fluids. 

The potential impact of success in the CBRDD’s research areas is critically important 

to the nation with respect to the areas of energy, climate change, and health. There are several 

examples in the division of research programs that could have a very large impact. 

 The Computational Chemistry Database is an important resource for researchers. It 

has become an essential database of computational chemical information for many chemical 

species for which experimental data are lacking. One of the challenges to people in 

universities and industry who want to use the Computational Chemistry Database is that of 

obtaining access to it. The Computational Chemistry Database should be integrated with the 

WebBook database. Currently they are only loosely integrated; together on the same 

platform, however, they would provide users with a more powerful tool. As a temporary 

measure, both the WebBook database and Computational Chemistry Database could be 

displayed on the same Web page as a resource of chemical property information for users 

from universities and industry. It may be beneficial to merge the Process Informatics Mode 

(PrIMe) database at the University of California, Berkeley, into the WebBook as well. 

 Work on the identification and characterization of peptides and proteins could have a 

significant impact on the research on proteomics and its ultimate usefulness in health care. 

 Theoretical work on the decomposition of explosives in the solid phase is particularly 

impressive, since 30 years of extensive experimental efforts have failed to provide an 

understanding of this chemistry. The results are valuable, not only in the public safety and 

security program, but also more broadly for all military and civilian uses of explosives and 

energetic materials. 

 The collection of shock-tube rate-constant data to build a rate-constant database for 

the pyrolytic decomposition of all linear hydrocarbons is an exceptional accomplishment for 

its basic scientific elegance and its practical value in designing combustion systems and 

evaluating the environmental impact of alternative fuels. 

 The temperature-dependent OH reaction-rate data for global warming gases are an 

essential component of predictive models of climate change. 
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CONCLUSIONS 

 The panel presents the following conclusions and recommendations with respect to the 

work of the Chemical and Biochemical Reference Data Division. 

 The leadership of the division (that of the division chief and the group leaders) is very 

good; it demands high-quality work and continuous productivity, supports its staff, and 

maintains a positive outlook. The work of the division is well focused and on target; its 

quality, quantity, and impact are excellent. Though there are some gaps (for example, the 

overall database effort and the Computational Chemistry Group), the professional staffing is 

very good; the scholarship and dissemination (publication and databases) of internal work is 

high-level; with two NIST Fellows, the division’s excellence is recognized. Additional 

personnel should be considered for the Computational Chemistry Group and the Chemical 

Reference Data Group. 

 Renovations of the buildings occupied by the division should be completed promptly. 

Important equipment for shock-tube and aerosol work should be provided. An information 

technology policy change at the NIST level is required in order to prevent interruptions to the 

servers that support the databases and WebBook. 

 The Computational Chemistry Database should be integrated with the WebBook 

database. 

 With the substantial number of new projects, the new administration’s priorities, and 

the improved budget, a more comprehensive strategic planning exercise is warranted, 

preferably together with all of the CSTL and NIST. 
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5 

Process Measurements Division 

SUMMARY 

The Process Measurements Division’s (PMD’s) mission of disseminating national 

measurement standards for thermodynamic parameters and conducting relevant measurement 

science research fits well with national priorities and NIST focus areas. The PMD provides 

essential calibration services in fundamental parameters that support many sectors of the U.S. 

economy as well as facilitating international commerce. It conducts research that is directly 

aligned with NIST and national priorities. The PMD’s research includes projects that support 

the Department of Homeland Security (microsensor chemical detectors), the climate-change 

research community (spectroscopy and gas properties), the biopharmaceutical industry (gold 

nanoparticle reference materials), and developers of the hydrogen economy (hydrogen gas 

data and flow-rate calibrations and standards). In those areas for which the PMD maintains 

U.S. national standards and provides measurement services, it is preeminent among national 

metrology institutes; the division is an important national resource. The overall mood of the 

PMD staff appears to be positive, with researchers dedicated to maintaining and enhancing 

the international stature of the division. 

RESPONSE TO RECOMMENDATIONS FROM THE PREVIOUS REPORT 

 The panel’s 2007 report1

 contained nine specific recommendations for the Chemical 

Science and Technology Laboratory. Those recommendations are reprinted below; each is 

followed by the panel’s current assessment of the PMD’s response to the recommendation. 

1. The set of criteria known as 5+1 for ensuring that the research projects are 

aligned with the mission of NIST and the laboratory should continue to be used. 

The CSTL leadership should link its more basic research investments to the 

potentially important measurement-related outcomes that are envisioned to result 

from CSTL research.

The PMD recognizes the need to spend more effort on this issue. The 

plasma processing project is a key example. 

2. The CSTL leadership should put more effort into communicating to the staff the 

rationale for resource allocation between new initiatives and established 

programs, some of which produce revenues through standard reference materials 

(SRMs). One example is the current focus on nanoscience and nanotechnology, 

which competes with established metrology.

 1

 National Research Council, An Assessment of the National Institute of Standards and Technology 

Chemical Science and Technology Laboratory: Fiscal Year 2007. Washington, D.C.: The National Academies 

Press, 2007, pp. 1-2. 
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The PMD has effectively transitioned several of its programs to the 

bioengineering arena. 

3. CSTL should continue its practice of cross-pollinating research planning teams 

with individuals from different divisions as new initiatives are developed.

The PMD has been participating in cross-divisional planning related to the 

focus in the biosciences area, and this participation has increased 

somewhat. Recently, the chief of the PMD has been tapped to coordinate 

the activity that NIST is planning and implementing in the area of carbon 

mitigation. This cross-divisional activity involves the Process 

Measurements Division and the Analytical Chemistry Division within the 

CSTL and several other divisions within NIST and other laboratories. 

4. There is a sense that a greater fraction of research is being directed at 

computation than at experimentation and instrument development. The CSTL 

leadership should examine this trend to assess its impact on future capabilities of 

the laboratory.

The PMD seems to have a good balance between modeling and 

experimentation. It has automated one of its measurement laboratories 

(Thermometry Laboratory) with impressive success. This is a good 

example of using modern computer techniques to save labor and improve 

efficiency, and it should be examined for other measurement laboratories. 

5. CSTL should consider special efforts, such as interdivisional seminars and study 

groups, to generate more interest in interdisciplinary projects and to avoid 

redundancy in research projects across divisions.

This remains an area for improvement within the PMD. It is a challenge, 

common to many technical organizations, to motivate researchers to 

participate in technical activities that are not closely tied to their personal 

areas of expertise and activity, but PMD management should continue to 

try to find ways to expand the technical interactions of its researchers. 

6. The CSTL leadership should carry out its planned efforts to communicate to the 

staff the incentives for disclosing intellectual property and applying for patents.

The PMD seems to be doing a good job in this area. 

7. The ratio of Ph.D. scientists to technical and office support staff appears to be so 

high that the Ph.D. scientists are often required to perform a technician’s work to 

accomplish a task. Besides serving as a barrier to the recruitment of outstanding 

scientists, this imbalance reduces the research productivity of the scientists. 

CSTL leadership should assess the ratio of support staff to Ph.D. scientists in 

terms of its effect on recruitment and productivity.
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This ratio of support staff to PhD scientists is an obvious problem in the 

PMD. NIST is a very high-level intellectual organization, and therefore it 

is a common practice within NIST to strive for intellectual flexibility by 

focusing its hiring efforts on PhDs. It is also difficult to gain funding for 

established standards activities. However, considerable efficiencies could 

be realized with more support personnel, and improved basic research 

would be realized. 

8. It is not clear that the laboratory [the CSTL] has developed guidelines for 

replacing scientists in critical areas who retire or leave the laboratory for other 

reasons. The laboratory should develop a strategic plan to address recruitment 

issues and identify areas of opportunity and areas of concern.

The PMD seems to be doing a good job in this area. 

9. The CSTL should increase efforts to make its scientists more visible in their 

respective scientific communities.

Many of the top PMD scientists seem to have good external recognition; 

however, the PMD recognizes this as an area to be improved. 

TECHNICAL MERIT 

 The Process Measurements Division is composed of five groups: Fluid Metrology, 

Process Sensing, Thermometry, Pressure and Vacuum, and Nanoscale and Optical Metrology. 

The division seeks to improve the realization of U.S. national measurement standards for 

temperature, fluid flow, liquid volume and density, pressure and vacuum, humidity, and 

airspeed. The PMD also seeks to develop the science to support new or improved 

measurements and standards technologies, with an emphasis on industrial process 

applications. The division provides access to these standards by providing instrument 

calibration services, SRMs, and standard reference data. 

 Overall, PMD staff are of very high quality, very sophisticated in their methods, and 

positive in their attitude about NIST and their work. 

 In the division’s measurements groups, most activities are among the best in their 

field, and they produce the secondary calibration tools and standards that are recognized as 

the best. These secondary standards are used by other nations for primary calibrations. The 

measurement groups have responded well to market needs, and their facilities allow the 

attainment of the highest standards of calibration to take place. 

 The pressure measurements team produces methods and standard calibration services 

for pressures down to 10–7 pascals (Pa). Methods for pressures as low as 10–11 Pa should be 

provided, because the semiconductor and solar energy processes frequently work in those 

pressure realms. 

 An example of work that the PMD has done very well is the pressure transfer 

standard. The PMD developed a transfer standard package (TSP) with high stability to be 

used as a way of comparing the performance of primary pressure standards from NMIs 

around the world. Typically, the TSPs use pairs of resonance silicon gauges, which are based 

on microelectromechanical systems technology; a temperature-controlled enclosure (based on 
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a commercially available cooler with an incorporated thermoelectric cooling unit); support 

electronics; and customized software. The PMD developed a modification of the TSP as a 

prototype to provide NIST pressure traceability for the Army Primary Standards Laboratory 

(APSL) for pressures of up to 130 kilopascals (kPa). For its needs, the APSL requires a 

reliable barometric-pressure range instrument that is stable to within 50 ppm over a period of 

1 year. This is to support calibrations for a wide range of precision pressure equipment―the 

most stringent requirement is the calibration of aircraft instrumentation calibrators. The PMD 

reports that, based on its experience with distributing TSPs internationally, the long-term 

calibration stability of this prototype will meet or exceed the Army requirement. The PMD 

expects these transfer standards, with their demonstrated stability, to remain within Army 

requirements for several years before they would be returned to the PMD for recalibration. 

This work is highly innovative, and the stability and precision of the standards are impressive. 

 The Thermometry Laboratory has undergone major renovations and is very 

impressive. The laboratory has been automated using LabView® software. The automation 

project was a pilot to see whether or not this approach would be useful, and it turned out to be 

a greater success than the PMD had expected. With the new system, several calibrations can 

now be carried out at the same time using far less technical staff time. Since tasks associated 

with calibration activities lend themselves well to automation, the PMD is concentrating on 

automation in this context at the moment. This example demonstrates that the automation of 

tasks that are repetitive and must be done in a particular way increases the efficiency of the 

laboratory and its staff. Other measurement laboratories should consider implementing this 

automation, using the same software and hardware platforms. 

 The sapphire high-temperature measurements pursued by the PMD are much needed 

by industry; the tool geometry specifications have been established by working with the end 

users. This is an example of a program that is well aligned with the NIST mission and should 

be completed. The program could have more impact and should be reviewed internally to 

ensure that it is staffed at a level sufficient to achieve its potential for impact. 

 The plasma processing effort is a technically solid program; however, the customer 

base has evaporated. This program should be refocused and better aligned with the NIST 

mission. There does not seem to be an established methodology to evaluate and eliminate 

programs within the PMD. It is recommended that the PMD management team establish such 

an evaluation program. This would make the program direction choices easier to implement. 

 Industry focus has been shifted away from semiconductors (a heavy emphasis in the 

past) into light-emitting diodes, the Smart Grid, and carbon cap-and-trade (energy-related) 

programs and the associated technologies. 

 The work involving quasi-spherical resonators to provide an atomic standard of 

pressure is impressive. The goal of the research involved here is to develop an accurate 

primary standard for pressure in the range of 0.3 megapascals (MPa) to 7 MPa, which is based 

on fundamental physical properties of helium and the use of quasi-spherical resonators. 

Using quantum mechanical theory, it is possible to predict the polarizability of helium, with 

agreement among all predictions of a few parts in 107

. Quasi-spherical resonators have been 

developed that use acoustic and microwave resonances to measure the dielectric constant of 

helium from measurements of the microwave resonance frequencies of the cavity. Helium 

was used initially, but impurities in the helium presented a problem. Argon was then used, 

followed by the use of a mix of helium and argon. The approach of using quasi-spherical 

resonators has revolutionized the realization of pressure standards. Moreover, NIST and other 
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NMIs are using these cavities to determine imperfections in the internationally accepted 

temperature scale—the International Temperature Scale of 1990, or ITS-90. 

 The PMD is pursuing measurements for biopharmaceutical manufacturing, the 

objective of which is to develop standards and measurement tools to enable better 

comparability and more efficient science-based manufacturing of biological products. The 

manufacturing of protein drugs is expensive and inefficient; inadequate metrology results in 

high costs for these drugs. The researchers are using the technique of electrospray-differential 

mobility analysis to measure protein aggregation. The electrospray process, used in the past 

for separating gold nanoparticles of very precise dimensions, is now being used successfully 

in this new context. The team is using a technique that was employed for one type of particle, 

and bringing it into a biological application is commendable. This is a good example of 

transforming a program with less than good support into a program in a new arena (the 

biological arena) that is of interest today, and an arena in which it is good for NIST to be 

involved—one in which standards are anticipated to be increasingly important. 

 Protein aggregation can decrease the safety and efficacy of protein therapeutics (a 

category of biotechnological drugs), and the adsorption of protein therapeutics to 

bioprocessing materials used in the production, storage, and delivery may also contribute to 

this problem. A technique for surface analysis, x-ray photoelectron spectroscopy (XPS), is 

being used to attain elemental information on all of the elements on a sample (except 

hydrogen and helium). The objective of this work is to provide protein adsorption data, 

measured on materials commonly used in bioprocessing, to address these issues. Using this 

technique and the fact that there are surface interactions with proteins mean that the 

researchers have to understand how the particle changes with time. This is more complex 

than a mere physical measurement; the standard has to be understood. 

 The biological work of the PMD is impressive, and it is good for NIST to be doing 

work in the biological arena. 

If a process is changed in biological and semiconductor processes, the process needs 

to be recertified. In the semiconductor manufacturing arena, the copy exact processes are 

well understood, and they assist in the scaling-up processes and the transferring of complete 

fabrication rules to new facilities. The ability to do this is based on well-understood 

metrology methods and standards, many of which are directly traced to early work at NIST. 

The division should explore ways to increase work directly related to methods and standards 

that are directly applicable to drug manufacturing in order to enable the cost-effective scaleup of processes. 

 In performing the chemical sensor work being pursued in the PMD, the researchers are 

very clever about how they extract data and carry out sophisticated analysis. The technology 

involved emphasizes the integrated, multidisciplinary approach, which has become more of a 

trend in this group. In order to realize the impact of technologies such as chemical sensors, 

there is a demand on many disciplines that must be carefully integrated to ensure success. It 

is encouraging to see the multidisciplinary approach―using a variety of technologies to 

deposit the sensory materials, using outside sources effectively, employing the properties of 

these materials by using rapid thermal cycling to achieve chemical fingerprints in a novel 

way, and taking the data and using computer modeling and analysis to extract data in a unique 

way. In addition, the background materials chosen are appropriate. This is an exciting 

technology, and the division should actively pursue external partners. It is encouraging that a 

research license already exists with an external company. 
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 The work using calibrated nozzles for fluid-flow metrology is very good. It is elegant 

in its simplicity and precision, and this is a technology that is clearly appreciated by the 

international community. Other countries come to this group to have their standards certified 

as well. 

 In 2007, division researchers produced 68 publications, gave 56 talks, and had 7 

patents pending, with 29 division staff members holding professional committee assignments 

and 2 holding editorships of professional journals. In 2008, division researchers produced 83 

publications, gave 48 talks, and had the same 7 patents pending, with 28 division staff 

members holding professional committee assignments and 2 holding editorships of 

professional journals. 

 The Department of Commerce Silver Medal Award is the second-highest honor 

awarded by the department. It is bestowed for exceptional performance characterized by 

noteworthy or superlative contributions that have a direct and lasting impact within the 

department. One was awarded to division personnel both in 2007 and in 2008. 

INFRASTRUCTURE 

 Of the Process Measurements Division laboratories visited by the panel, differences 

between the old and new buildings are apparent; however, even in the old buildings, no staff 

members complained about their space, so space does not appear to be a problem. There is a 

fair amount of aging equipment (old power supplies, for example), however. A review of 

capital equipment should be undertaken with an eye to ensuring that the most efficient and 

safest equipment is provided. NIST hosts numerous visitors from many countries, and the 

appearance of being state of the art is important. 

 As noted above, the automation of the Thermometry Laboratory is an impressive 

achievement. This involved the use of LabView® to fully automate calibrations, which, prior 

to automation, were tedious, time-consuming, and required considerable manpower. The 

automation of this laboratory should be a model for automating other measurements 

laboratories that have similarly routine (although important) measurement requirements. 

Moreover, there should be cross-pollination between the groups to avoid unnecessary 

duplication of efforts in laboratory automation. Considering that the PMD is looking at 

automating laboratories, the need for computer and automated equipment would be a good 

investment of resources. 

 The Pressure Laboratory is a state-of-the-art facility. There is a measured, large 

improvement in the accuracy of pressure measurements with the new facility. 

 With the recent rise in interest within the federal government in hydrogen as a 

potential part of the future U.S. energy landscape, NIST is anticipating that it may be 

expanding its role in hydrogen-related standards development. The PMD is designing a new 

facility for hydrogen-related activities. The safe handling of high-pressure hydrogen gas is, of 

course, a key consideration as plans for the facility move forward. Accordingly, the PMD is 

taking a careful, step-by-step approach in designing and planning for the new facility. 

Although it is not currently a certainty that hydrogen will become a more significant part of 

the future infrastructure of the United States or that hydrogen-related activities at NIST will 

increase significantly, the PMD is planning the new facility with an eye to the possibility that 

hydrogen may eventually be used there. 
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 The current approach to safety is to initially qualify the new facility’s operation for 

pressures of up to 6,000 pounds per square inch (psi), while also considering the requirements 

associated with the handling of high-pressure hydrogen. Initial activities will involve the use 

of argon or nitrogen, followed by the use of methane. Government efforts to use hydrogen as 

a fuel for vehicles may lead to the facility’s being used to study the effects of transient flows 

on the response of typical flow meters, and the development of standards that account for 

transients. Currently, standards of this type are not available, although many realistic, realworld gas flows involve large transients. The PMD is planning to put as much of any 

combustible material as possible outside the building. This is a sound element in an approach 

to safety planning for this facility. 

 There is a critical need for full-time technicians, especially in those areas where 

measurements and calibrations are intense. In an effort to strive for intellectual flexibility, 

hiring at the PMD typically favors PhDs rather than technicians. Moreover, the way in which 

new funding comes into the PMD does not generally support the established standards 

activities, and the division does not have a method for keeping those activities’ funding at a 

healthy level as compared with funding for high-profile research areas. The PMD, in concert 

with its NIST leadership, needs to specify the ways in which NIST evaluates and values the 

long-standing standards activities of the PMD. There does not appear to be a strategy for 

maintaining the ranks of technicians at a healthy level. The addition of a few technicians 

would probably greatly improve the productivity of the most senior professional staff―taking 

advantage of the investment that the PMD has made in them. Therefore, there should be more 

technicians to improve the efficiency of the entire technical staff. There are many examples 

of PhD-level personnel doing routine functions, and the addition of more technicians would 

free the PhD-level staff to perform more PhD-level work. 

 

OBJECTIVES AND IMPACT 

 The PMD should consider and investigate media opportunities to publicize the 

usefulness of its capabilities. Many more potential users of PMD services and products would 

come forward if they knew more about what the PMD has to offer. In addition, industry 

would probably take more advantage of PMD capabilities if the cycle time for standards work 

were shorter. Also, the division is slow when it comes to developing a new process for a 

standard, which inhibits industry with respect to using PMD services. Finally, the PMD 

should continue to check for and evaluate new technologies that may be coming in the future 

and should plan for how its capabilities would properly address them. 

CONCLUSIONS 

 Overall, PMD staff are of very high quality and very sophisticated in their methods, 

and they evince a positive attitude about NIST and their work. Among the PMD’s 

measurements groups, most activities are among the best in their field, and these groups 

produce the secondary calibration tools and standards that are recognized as the best. 

 The automation of the Thermometry Laboratory, using LabView® software, is an 

impressive accomplishment. Other measurement laboratories should consider implementing 

this automation, using the same software and hardware platforms, and there should be crosspollination between the groups in order to avoid unnecessary duplication of efforts. Since the 
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PMD is looking at automating laboratories, computer and automated equipment would be a 

good investment of resources. 

Methods for pressures as low as 10–11 Pa should be provided by the PMD, because the 

semiconductor and solar energy processes frequently work in those pressure realms. 

PMD management should establish an evaluation methodology and program to 

facilitate the elimination of programs when they are no longer effective in meeting the PMD 

and NIST missions. The plasma processing effort is an example of PMD management’s 

recognition of this need. 

The sapphire high-temperature measurements pursued by the PMD are much needed 

by industry. The program could have more impact and should be reviewed internally to ensure 

that it is staffed at a level sufficient to achieve its potential for impact. 

The PMD has transitioned several programs to the bioengineering arena very well. It 

is good for NIST to be doing work in the biological arena, where standards are anticipated to 

be increasingly important. The PMD should explore ways to increase work directly related to 

methods and standards that are directly applicable to drug manufacturing in order to enable 

the cost-effective scale-up of processes. 

The PMD should consider and investigate media opportunities to publicize the 

usefulness of its capabilities. Many more potential users of PMD services and products would 

probably come forward if they knew more about what the division has to offer. Industry 

would probably take more advantage of PMD capabilities if the cycle time for standards work 

were shorter. Also, the PMD is slow when it comes to developing a new process for a 

standard, which inhibits industry with respect to using PMD services. The PMD should 

continue to evaluate new technologies that may be coming and plan for how its capabilities 

would address them. 

Although many of the PMD’s top scientists seem to have good external recognition, 

the division should continue its efforts to make its scientists more visible in their scientific 

communities. It is a challenge to motivate researchers to participate in technical activities that 

are not closely tied to their personal areas of expertise and activity, but PMD management 

should continue to try to find ways to expand the technical interactions of its researchers. 

With increased interest within the federal government in hydrogen as a potential part 

of the future U.S. energy landscape, NIST is anticipating an expanded role in related 

standards development. Although these possibilities are not a certainty, the PMD is planning 

ahead for a facility to accommodate the safe handling of high-pressure gases, with an eye to 

the possibility of eventual hydrogen use. The panel thinks that the careful, step-by-step 

approach being taken by the PMD in designing and planning for the new facility is sound. 

There is a critical need for full-time technicians, especially in those areas where 

measurements and calibrations are intense. The addition of a few technicians would greatly 

improve the productivity and efficiency of the entire technical staff. 

A review of capital equipment should be undertaken with an eye to ensuring that the 

most efficient and safest equipment is provided. 
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6 

Surface and Microanalysis Science Division

SUMMARY 

The mission of the Surface and Microanalysis Science Division (SMSD) is to serve 

the nation in areas of chemical metrology, research, standards, and the acquisition and 

analysis of data. The SMSD provides excellent service to the U.S. government and the United 

Nations through the identification of radioactive and explosive materials as well as the setting 

of sample standards and development of analytical methods. SMSD research includes a wide 

range of topics that are critical to the maintenance of national standards and measurement 

science for the nation. The division is well supported with respect to equipment, facilities, and 

budget. Supported by both core NIST funding and other agency funding, the division 

maintains an appropriate balance between the goals of making progress on longer-term 

problems not amenable to quick solutions and producing results in current areas of interests 

that enhance the profile of NIST. The morale of the SMSD staff is positive. The researchers 

are dedicated to the goals mentioned above. This division is an important national resource. 

RESPONSE TO RECOMMENDATIONS FROM THE PREVIOUS REPORT 

In the panel’s 2007 report,1

 a few minor suggestions were given for further improving 

the existing high-quality projects of the SMSD. These included better theoretical support for 

projects involved in the detection of explosive materials, better definition and evaluation of 

the health and safety risks of nanoparticles, improved theoretical understanding of cluster 

secondary ion mass spectrometry (SIMS) of organic layers, more extensive collaborations in 

the clean-room facility with experts on the synthesis and theory regarding the fabrication of 

molecular electronics, and maintenance of the highly valuable data concerning surface 

electron microscopy. 

The majority of the suggestions have been accepted and implemented by the division. 

For example, a detailed study that involves the preparation and quantitative analysis of 

standard explosive samples was done. The fundamental properties of explosive molecules 

have also become better understood since the 2007 review. The transport of nanoparticles in 

biocells has been delineated. Sputter SIMS analysis of biomaterials was carried out. A 

semitheoretical study of the organic thin-film transistors fabricated by a device group in 

another NIST division has been completed. The highly popular x-ray-analysis database that 

was based on the Apple computer system has been updated to a personal computer system. 

Additional work on theory, modeling, and simulation should be done, perhaps in collaboration 

with experts in other divisions of NIST. 

 1

 National Research Council, An Assessment of the National Institute of Standards and Technology 

Chemical Science and Technology Laboratory: Fiscal Year 2007. Washington, D.C.: The National Academies 

Press, 2007. 
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TECHNICAL MERIT 

The two major objectives of the Surface and Microanalysis Science Division are the 

development of metrology technology and fundamental scientific research. For the former, 

five representative topics were demonstrated to the panel. These are as follows: the 

identification of uranium (U) isotopes, the detection of trace amounts of explosive materials, 

chemical mapping by desorption mass spectrometry, the tracking and removal of 

nanoparticles in aquatic environments, and the correlation of cracks in concrete with chemical 

mapping by high-resolution transmission electron microscopy (TEM). For the latter, three 

representative topics were shown: chemical imaging of individual nanostructures, 

mechanisms of charge transfer in molecular nanoelectronics, and super-resolution leading to 

significantly improved optical microscopy. The division’s scientific program appears to be 

larger than that for technology development simply because the scientific projects have more 

subtopics. However, the technical studies are well targeted at solving problems in national and 

international security, environmental protection and sustainability, and transportation 

infrastructure. All of these are national priorities with high impact and high visibility. 

The scientific studies are spread over a wide range of fields in chemistry, bioscience, 

optics, electronics, materials, and nanotechnology. The accurate identification of trace 

isotopes of U is unique and critical to DHS and International Atomic Energy Agency (IAEA) 

missions. The development of trace-detection metrology for explosives is important to 

national security. For this purpose, a detailed method for the preparation of standard samples 

has been investigated. The need now is to establish expected sample lifetimes. The integration 

of chemical analysis techniques would also be beneficial. 

 The work on high-throughput, site-specific chemical mapping by SIMS is of practical 

value to airport security. The reliability of the process and the long-term effects on health may 

need investigation. 

 The quantitative chemical imaging of individual nanostructures by TEM is interesting 

and potentially important for applications to both safety and the environment. It may also 

have benefit for potential applications to microelectronic devices—for example, in helping to 

understand Si/high-k-dielectric interfaces. The focus on the development of robust methods of 

analysis and energy-dispersive techniques for aberration-corrected TEM (in contrast to efforts 

in electron-energy-loss spectroscopy in other national laboratories) is consistent with the 

NIST mission of metrology development. 

 The project on studying engineered nanoparticles in aquatic environments is 

potentially important for water purification. An effective agent, such as a chelator, may help 

in separating carbon nanotubes from the aquatic environment. 

 The cadmium selenide (CdSe) quantum-dot project, measuring the trophic transfer of 

nanoparticles in a simplified invertebrate food web, indicates that the biomagnification of 

nanoparticles, or at least particular types of nanoparticles, may not represent a health hazard. 

A further study on why the nanoparticles do not accumulate will enhance the visibility of this 

project. 

 The fast TEM imaging on the formation of cracks in concrete is very good work with 

practical value. A detailed analysis of the connection between the chemical distribution and 

crack formation would be an excellent scientific study. More generally, by addressing the 

analysis of large specimens and connecting micro and macro properties of complex materials, 
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this work can have a broad impact on detailed characterization and its relationship to the 

performance properties of a wide variety of complex materials. 

 The work on charge-transfer mechanisms and the probing of surface potentials in 

nanoelectronics is interesting. The emphasis on developing reliable methods and databases for 

molecular electronics is appropriate in view of the NIST mission. 

 When completed, the project involving super-resolution optical microscopy will have 

particularly high impact. The principal investigator has already published several excellent 

papers on this subject. 

The overall technical quality of the division is very good, with many projects being 

among the best. However, the impact of SMSD’s work could be enhanced significantly 

without the need for major additional resources by adding theoretical support to some of the 

experimental projects. This could be accomplished, for example, by initiating collaborations 

with outside organizations. It is encouraging that many of the research projects already 

involve other divisions in NIST; external government agencies such as the U.S. Air Force, 

Department of Homeland Security, National Institutes of Health, National Cancer Institute, 

Food and Drug Administration, Savannah River National Laboratory, and various Army 

laboratories; industry, including General Electric and SEMATECH; and universities such as 

the University of Maryland, Pennsylvania State University, and the University of Kentucky. 

Given the present imbalance between the number of technical staff and the relatively large 

amount of state-of-the-art equipment, the impact of the division could be made even more 

impressive by establishing more collaboration with outside organizations such as universities 

or national laboratories. It can also be anticipated that such collaborations would bring in 

fresh ideas, and the existing excellent infrastructure would be used to explore new territory. 

A division-wide strategy needs to be developed to enhance the visibility of the SMSD 

and its impact in the government and scientific communities, because this division includes a 

wide range of activities. Some projects can benefit from an improved definition of strategy, 

such as the long-term direction of scientific study and technology development. The division 

should also promote worthy investigators for external recognition in the form of prizes and 

awards. 

The scientific staff of the division is highly productive. For example, in fiscal year 

(FY) 2008, division researchers produced 55 manuscripts for publication, made 118 

presentations that included 53 invited talks, filed for 1 patent, received 3 awards including 1 

fellowship, and participated on 110 committees, including serving as committee leaders. 

Every member of the scientific staff is involved in the publication and presentation process, 

with a few members compiling outstanding records. On average, each member of the 

scientific staff published 1.7 papers and delivered 3.5 talks. This is an excellent record, which 

shows that the division is meeting its mandate to make a difference in scientific and technical 

areas. 

INFRASTRUCTURE AND SUPPORT 

Compared with most university and industrial research laboratories, the Surface and 

Microanalysis Science Division has some outstanding experimental equipment. Most of it 

can be considered top of the line. Laboratory space, utilities, and safety features are all 

significantly better than what is found in many other laboratories. Although the equipment 

may not be used to full capacity, as noted above, the scientific and supporting staff engaged in 
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the research and service programs are outstanding. The use of additional graduate and 

undergraduate students in the summer is also a positive strategy whose continuation is 

encouraged. The $12.5 million budget of the division, averaging out to $367,000 per staff 

member, not including other agency equipment funds, is as good as, or even better than, that 

found in first-class high-technology companies. The major portion of the budget is for 

scientific and technical research activities for NIST and other agencies of the U.S. 

government, showing the scientific importance of the division’s work. About one-third of the 

portfolio is dedicated to programs related to public safety, security, and standards, showing 

the commitment of the division to one of the most important goals of NIST. Division staff 

identified no complaints about the lack of personnel, budget, equipment, or space to carry out 

projects. Therefore, this is a well-supported division with no obvious deficiencies in 

infrastructure. 

OBJECTIVES AND IMPACT 

The general goal of the SMSD is to serve the nation in areas of chemical metrology, 

research, standards, and data. The specific goals are to characterize the spatial and temporal 

distribution of chemical species and to improve the accuracy, precision, sensitivity, 

selectivity, and applicability of surface, interface, microanalysis, and advanced isotopemeasurement techniques. The division carries various activities in order to accomplish these 

goals satisfactorily. Its work in chemistry metrology includes the detection of trace narcotics, 

the development of drug-delivery systems, the determination of molecular-orbital structure, 

and the electronic structure of organic electronics. Its research activities include the 

adsorption of self-assembled monolayers of nonspecific proteins, spectrometry using 

supercontinuum sources, the imaging of surface potentials of organic thin-film transistors, the 

transfer of quantum dots in an invertebrate food web, and super-resolution optical 

microscopy. Its work in standards development includes the preparation of polymer 

microspheres containing explosives, precision measurements of isotope ratios, and chemical 

mapping. Its data activities include reinvention of the Desk Top Spectrum Analyzer and the 

x-ray spectral imaging of cracks in bridges. 

This work has demonstrated that the objectives of the division are being fulfilled 

successfully owing to the effort of its dedicated staff and the availability of the state-of-the-art 

equipment. The results can be anticipated to have major impacts on national security, the 

overall mission of NIST, and the scientific community. 

CONCLUSIONS 

The Surface and Microanalysis Science Division has successfully accomplished its 

own targets as well as those of NIST in serving the nation in areas of chemical metrology, 

research, standards, and data. Many of the scientific studies of the SMSD have achieved 

excellent results that have, for example, enhanced the capability to characterize surfaces and 

interfaces with increased accuracy and precision. The division has a competent technical staff 

with state-of-the-art equipment, advanced facilities, and sufficient budget. To further enhance 

the capability of the division to achieve its objectives and have more impact on the scientific 

community, those involved may wish to consider ways of expanding the division’s 

collaborations with universities and national laboratories so as to make better use of its 
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facilities and bring in fresh ideas as well as initiate explorations in new areas. Another path to 

improving the division’s effectiveness is to bring in more theoretical experts, both within 

NIST and externally, for more in-depth interpretation of some of SMSD’s excellent 

experimental data. A further area of possible improvement for some projects is a better 

definition of strategy, such as the long-term direction of scientific study and technology 

development. Since this division includes a wide range of activities, the development of a 

division-wide strategy could lead to greatly enhanced visibility and impact in the government 

and scientific communities. 
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7 

Thermophysical Properties Division 

SUMMARY 

The Thermophysical Properties Division (TPD) is an outstanding service center. Its 

services are supported by research and by methodology development, and the equipment 

being developed is state of the art. Each group is running “mean and lean,” and despite the 

small numbers of scientists in each group, the division is highly productive. The division 

seems to be a model of cost-effectiveness. The precision of the critical measurements, their 

incorporation into mathematical models and equations of state, and their availability through 

online databases have been and will continue to be highly valuable to industry, academia, and 

other government laboratories. 

RESPONSE TO RECOMMENDATIONS FROM THE PREVIOUS REPORT 

 

The Thermophysical Properties Division has made good progress in holding 

interdivisional seminars and promoting the cross-fertilization of ideas within the division. It 

has also increased efforts to coordinate the programming aspects of databases with other 

divisions, but more effort is merited in this area. 

 There has been a laboratory-wide effort to address the merits of patenting and 

licensing. In addition, the copywriting and licensing of access to databases should be 

considered, both as a means of increasing the dissemination of data and as a fund-raising 

activity. An effort has been made to increase the ratio of technicians to professionals, but the 

correct balance requires continued evaluation. Adequate laboratory space also remains an 

issue. Renewed efforts should be made to form an awards committee to seek out awards for 

researchers. Efforts are being made to help staff develop a good idea of the overall TPD 

mission as well as their own personal objectives. 

Other divisions besides the TPD are also developing databases, and the coordination 

of the information technology aspects of these efforts should be expanded. 

TECHNICAL MERIT 

 The Thermophysical Properties Division is composed of 3 groups (Thermodynamics 

Research Center Group, Experimental Properties of Fluids Group, and Theory and Modeling 

of Fluids Group) and 2 projects (Cryogenic Technologies project and Properties for Process 

Separations project). The FY 2008 TPD budget was approximately $7.8 million, of which 

approximately 71 percent was direct appropriation, 23 percent was other-government-agency 

funding, and 6 percent was measurement services funding. The staffing level is 

approximately 30 NIST FTEs, 7 visiting scientists, and 42 students, postdocs, and contractors. 

 The division’s stated mission is to provide the best available measurements, theory, 

computations, and data evaluation for the thermophysical property information required to enable 

the development of standards, enhance productivity, facilitate trade, ensure scientific and 

technological progress, and improve the quality of life. To accomplish this, the division pursues a 

program of experimental measurement, data collection and evaluation, development of 
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theoretically based models, and simulation of model systems, and its outputs include 

computerized standard reference databases that synthesize thermophysical property information in 

forms that are convenient for its stakeholders.

Program areas within the division include the following: energy (thermophysical 

properties, data, cryogenic flow, alternative fuels, aviation fuels, advanced power cycles); 

environment and climate (cryocoolers for Earth monitoring, properties for aerosol formers, 

carbon dioxide separations in power cycles, carbon dioxide emissions); bioscience and health 

(information infrastructure for biothermodynamic data, terahertz imaging with biological 

applications, standards for biocalorimetry); public safety and security (data for the 

identification and detection of explosives and taggants, cryocoolers for special applications); 

and standards (dynamic data evaluation, wide-ranging properties, information exchange, 

international equation of state for fuel gases, SRMs [density and viscosity]). 

The Experimental Properties of Fluids Group of the Thermophysical Properties 

Division has developed a one-of-a-kind densitometer that provides valuable data that can help 

in determining the phase behavior of a range of fluids. This group has a strong interaction 

with the Theory and Modeling of Fluids Group, and there is excellent synergy between these 

two groups. 

The techniques developed by the Properties for Process Separations project are state of 

the art. In particular, the group has developed a novel distillation apparatus that allows it to 

analyze carefully the composition of a range of complex fluids. The level of information that 

the group can thus obtain on industrially important liquids and gases is very impressive. The 

work on the volatile gases has importance for homeland security, and in this capacity the 

group is also providing a useful service that is highly timely and can ultimately be extended to 

a range of industrial applications (e.g., detecting the spoilage of food). The group is highly 

productive, with just a small number of researchers. There is good synergy with the theory 

group. 

The work of the Thermodynamics Research Center is impressive—in particular, its 

development of a global information system for thermodynamic data is an important 

achievement and represents significant advances in computer science and data management. 

The code is not only an invaluable tool for researchers, but it also provides an excellent 

teaching tool. The group is working on the complicated issue of making this code available to 

the public in such a way that it could be used extensively but at the same time would help the 

group recover some of the development costs. 

One of the strengths of the Theory and Modeling of Fluids Group is its strong 

interactions with all of the experimental groups in the division. The collaborative atmosphere 

is very apparent, and it is clear that both the theory and experimental groups benefit from 

these interactions. In particular, certain theoretical calculations are suggested to the Theory 

and Modeling of Fluids Group by the experimentalists, and the experimental studies are 

facilitated by input from the theory group undertaken on the basis of that input. The 

collaborations seem highly fruitful, and the people seem genuinely enthusiastic about the 

exchange between theory and experiment. The Theory and Modeling of Fluids Group is also 

involved with hosting the important Symposium on Thermophysical Properties, which is the 

oldest and largest conference in this area and further extends the outreach activities of this 

group. Also with respect to outreach, the group maintains and updates a database (Reference 

Fluid Thermodynamic and Transport Properties Database, REFPROP) that is a valuable tool 

for obtaining data about the properties of fluids; this is also a useful teaching tool. The group 

does a commendable job of providing service to the scientific community. 
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The activities of the Cryogenic Technologies project group also reflect the role of 

NIST in designing state-of-the-art equipment that is playing a vital role. The cryogenic-flow 

calibration facility is unique, as is the expertise provided by the small but highly productive 

group. Its knowledge base will be invaluable for expanding the hydrogen economy and the 

nation’s further use of liquid natural gas. 

In FY 2007, division researchers produced 47 publications and gave 65 talks 

(including 8 posters). In FY 2008, division researchers produced 50 publications and gave 

103 talks (including 5 posters). Seventeen division staff members are credited with currently 

and/or recently holding professional committee assignments and 10 with holding editorship 

positions. 

INRASTRUCTURE 

The Thermophysical Properties Division is currently cramped for space. This problem 

is expected to be eased by the addition of the new building under construction. 

EXTERNAL INTERACTIONS

Most groups within the Chemical Science and Technology Laboratory have 

substantial interactions with others working in the field, including visiting scientists from 

other government laboratories, industry, and universities. In addition, they have collaborative 

interactions with industry groups, university consortia, and joint efforts with other 

government laboratories. Such associations aid them in determining valid long-term goals 

and allow them to benefit from new technology being developed outside the CSTL. These are 

powerful incentives to seek the right blend of such associations. Too much direct service 

work, while bringing in additional funds, could dilute longer-term strategic work on new 

technology to support the TPD’s mission. Associations and collaborations with industry are 

particularly valuable, since they help focus the division’s (and CSTL’s) activities in new 

technological directions that are being driven by the marketplace. Since one of NIST’s 

overall goals is to support and nurture the economy, cooperation with industry will help 

support such a goal. It is important, of course, to try to strike a balance between current 

industrial needs and new technology emerging from academia and other government 

laboratories. 

One way in which the division might seek out more industrial input would be to join 

existing academic-industrial consortia in areas of interest. This would put them in contact 

with more industrial scientists and academics that have common interests. A number of such 

consortia have been successful in the catalysis and control/optimization areas. Of course, 

some of these consortia require paying for membership, but it might be money well spent. 

Many companies have efforts similar to those of the division, addressing specific materials 

that are critical to them. Interactions with such companies to share information could be 

beneficial to both the division and industry. 

INFORMATION DISSEMINATION

The TPD is making a good effort to disseminate its information through publications, 

professional meetings, seminars, and industrial associations. It also recognizes the growing 
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importance of establishing databases that are accessible through the Internet. While there is 

already a substantial effort in this area, it is such a critical activity for the division that this 

effort should be further strengthened. Commercial databases are also under consideration, 

and pilot activities to determine their value should continue. Industrial companies and trade 

associations also maintain databases in their areas of interest, and these should be evaluated. 

For example, ExxonMobil is developing a database for properties of thousands of 

hydrocarbons and petrochemicals, using a technique called structure-oriented lumping. It is 

possible that ExxonMobil might be willing to work with the division in this area. 

OBJECTIVES AND IMPACT 

 The stated goals of the Thermophysical Properties Division are to determine the 

thermophysical properties of gases, liquids, and solids―both pure materials and mixtures, and 

fluid-based physical processes and systems, including separations, low-temperature 

refrigeration, and low-temperature heat transfer and flow. 

 In the area of thermophysics, the division develops, maintains, and uses state-of-theart apparatuses to perform experimental measurements on industrially and scientifically 

important systems; compiles, evaluates, and correlates experimental data; develops and 

evaluates state-of-the-art theories, models, estimation methods, and computational 

approaches; and disseminates results by a wide variety of mechanisms. 

In the area of cryogenic technologies, the division provides engineering data, models, 

and research to support the development of advanced cryocoolers; and measurement methods, 

tests, and calibration services for flow under cryogenic conditions. 

 The potential impacts of the success in the division’s research areas are the precise 

characterization of complex fluids that are important for industrial applications; detailed 

thermodynamic information that is vital for fundamental studies on various fluids; a useful 

computational tool on thermodynamic data that can also be used as a teaching tool; and the 

expansion of the knowledge base invaluable for expanding the hydrogen economy and the 

nation’s further use of liquid natural gas. 

CONCLUSIONS 

The panel’s overall impression of the cost-effectiveness of the Thermophysical 

Properties Division was favorable. The division may wish to increase its efforts to measure 

its cost-effectiveness or research-to-return ratio by identifying the value of its work to its 

customers. The more customers can testify to the benefits derived from the division’s 

products, the greater the creditability of the TPD’s research-to-return ratio. The higher the 

creditability, the more likely it is that the division could justify more resources. 
Copyright © National Academy of Sciences. All rights reserved.

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