AN ASSESSMENT OF THE 

NATIONAL INSTITUTE OF STANDARDS 

AND TECHNOLOGY 

CHEMICAL SCIENCE AND 

TECHNOLOGY LABORATORY 

FISCAL YEAR 2007 

Panel on Chemical Science and Technology 

Laboratory Assessments Board 

Division on Engineering and Physical Sciences 

THE NATIONAL ACADEMIES PRESS 

Washington, D.C. 

www.nap.edu 
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 board responsible for the report were chosen for their special competences and 

with regard for appropriate balance. 

This study was supported by Contract No. SB134106Z0011 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. 

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Division on Engineering and Physical Sciences 

National Research Council 

500 Fifth Street, N.W. 

Washington, DC 20001 

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are chair and vice chair, respectively, of the National Research Council. 

www.national-academies.org 
iv 

PANEL ON CHEMICAL SCIENCE AND TECHNOLOGY 

JOHN L. ANDERSON, Illinois Institute of Technology, Chair 

JOHN M. BALL, U.S. Department of the Army 

JEFFREY B. BINDELL, University of Central Florida 

BARBARA BOYAN, Georgia Institute of Technology 

JEROME J. CUOMO, North Carolina State University 

JUAN J. de PABLO, University of Wisconsin-Madison 

JOSEPH S. FRANCISCO, Purdue University 

RUBY N. GHOSH, Michigan State University 

LUKE HANLEY, University of Illinois at Chicago 

JOHN W. KOZARICH, ActivX Biosciences, Inc. 

FREDERICK J. KRAMBECK, ReacTech Inc. 

YUE KUO, Texas A&M University-College Station 

JAN D. MILLER, University of Utah 

C. BRADLEY MOORE, Northwestern University 

SUSAN V. OLESIK, The Ohio State University 

DARLENE J.S. SOLOMON, Agilent Laboratories 

PETER WILDING, University of Pennsylvania Medical Center 

JEROME J. WORKMAN, JR., Thermo Electron Corporation 

JOHN T. YATES, JR., University of Virginia 

Staff 

JAMES P. McGEE, Director 

ARUL MOZHI, Senior Program Officer

LIZA HAMILTON, Administrative Coordinator
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: 

Michelle V. Buchanan, Oak Ridge National Laboratory, 

Catherine C. Fenselau, University of Maryland, 

Mark J. Kushner, University of Iowa, 

Donald C. Malins, Pacific Northwest Research Institute, and 

Gabor A. 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 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 committee and the institution. 

vii 

Contents 

SUMMARY 1 

CHARGE TO THE PANEL AND DESCRIPTION OF THE 3 

ASSESSMENT PROCESS 

ANALYTICAL CHEMISTRY DIVISION 5 

Summary, 5 

Addressing National Priorities, 5 

Impact and Innovation, 6 

Technical Merit, 8 

Infrastructure, 9 

Conclusions, 10 

BIOCHEMICAL SCIENCE DIVISION 12 

Summary, 12 

Addressing National Priorities, 12 

Impact and Innovation, 12 

Technical Merit, 14 

Infrastructure, 15 

Conclusions, 15 

PHYSICAL AND CHEMICAL PROPERTIES DIVISION 16 

Summary, 16 

Addressing National Priorities, 16 

Impact, Innovation, and Technical Merit, 16 

Infrastructure, 20 

Conclusions, 20 

PROCESS MEASUREMENTS DIVISION 21 

Summary, 21 

Addressing National Priorities, 21 

Impact and Innovation, 22 

Technical Merit, 24 

Infrastructure, 24 

Conclusions, 24 

SURFACE AND MICROANALYSIS SCIENCE DIVISION 26 

Summary, 26 

Addressing National Priorities, 26 

Impact and Innovation, 26 

Technical Merit, 27 

Infrastructure, 28 

Conclusions, 28 

CONCLUSIONS 29 

1 

Summary 

The Chemical Science and Technology Laboratory (CSTL) is meeting its 

obligations, and its priorities are appropriate and aligned with national 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. Future 

assessments will be facilitated if greater emphasis is placed on clarifying the distinctions 

between work performed to provide services and work performed to support research and 

development. Against this backdrop of clear and consistent success and high technical 

merit, the panel has the following comments about the operation of the Laboratory: 

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. 

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. 

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

teams with individuals from different divisions as new initiatives are 

developed. 

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. 

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. 

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. 

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. 

8. It is not clear that the laboratory has developed guidelines for replacing 

scientists in critical areas who retire or leave the laboratory for other reasons. 
2 

The laboratory should develop a strategic plan to address recruitment issues 

and identify areas of opportunity and areas of concern. 

9. The CSTL should increase efforts to make its scientists more visible in their 

respective scientific communities. 
3 

Charge to the Panel and Description of the 

Assessment Process 

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

National Academies, through its 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 eight,1 as well as 

the adequacy of the laboratories’ resources. In 2007 NIST requested that four of its 

laboratories be assessed: 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 laboratory was assessed by 

a separate panel of experts, and the findings of each panel are summarized in separate 

reports. This report summarizes the findings of the Panel on Chemical Science and 

Technology. 

NIST requested that the panel consider the following criteria as part of its 

assessment: 

1. The degree to which the Laboratory programs in measurement science, 

standards, and technology address national priorities. 

2. The degree to which the Laboratory programs in measurement science, 

standards, and technology are well-motivated with regard to the following 

questions: 

a. What is the program trying to accomplish? 

b. What is innovative or different, as compared to efforts at other institutions, 

about the program’s approach that will lead to success? 

c. Is success well defined? 

d. What will be the impact of success? 

e. How will success be disseminated to end users? 

f. How much will success cost, and how long will it take? 

o The technical merit of the Laboratory programs relative to the current state 

of the art worldwide. 

3. Insofar as they affect the quality of the technical programs, the adequacy of 

the Laboratories’ facilities, equipment, and human resources. 

To accomplish the assessment, the NRC appointed a panel of 19 volunteers whose 

expertise matched that of the work performed by CSTL staff. The panel members were 

also assigned to five subgroups whose expertise matched that of the work performed in 

the five divisions in CSTL: Analytical Chemistry, Biochemical Science, Physical and 

Chemical Properties, Process Measurements, and Surface and Microanalysis Science. 

These subgroups of the panel separately visited CSTL facilities for 1 or 2 days, during 

 1

The eight NIST laboratories are the Building and Fire Research Laboratory, 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.
4 

which they attended presentations, tours, demonstrations, and interactive sessions with 

CSTL staff. Subsequently, the entire panel assembled for 1.5 days, during which they 

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 its 

findings and to define the contents of this assessment report. 

The panel’s approach to the assessment relied upon the experience, technical 

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

the technical areas within which the CSTL activities are conducted. The panel reviewed 

selected examples of the standards and measurements activities and the technological 

research presented by the CSTL; it was not possible to review the CSTL programs and 

projects exhaustively. The panel’s goal was to identify and report salient examples of 

accomplishments and opportunities for further improvement with respect to the technical 

merit of the CSTL work, its perceived relevance to NIST’s definition of its mission in 

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

infrastructure that is intended to support the technical work. These highlighted examples, 

for each CSTL division, are intended to collectively portray an overall impression of the 

laboratory while preserving useful mention of suggestions specific to projects and 

programs that the panel considered to be of special note within the set of those examined. 

The assessment is currently scheduled to be repeated biennially; while the panel applied a 

largely qualitative rather than 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 following report sections provide an assessment of each of the CSTL 

divisions and are organized into four areas: 

• The degree to which CSTL programs in measurements and science and 

standards address national and agency priorities; 

• The impact and innovativeness of the programs; 

• The technical merit of the CSTL programs relative to the current state of the 

art worldwide; and 

• The adequacy of the facilities, equipment, and human resources that affect the 

quality of the CSTL’s technical programs. 

More detailed information on CSTL activities and programs can be found on its 

Web site: www.cstl.nist.gov/ or its published documents. CSTL’s Web site in particular 

highlights programs, projects, and technical activities at the Laboratory, lists publications, 

and provides information on its products and services and other developments. 
5 

Analytical Chemistry Division 

SUMMARY 

The Analytical Chemistry Division (ACD) has been meeting its obligations, and 

its priorities are appropriate. The technical merit of the division, the commitment of the 

staff, and availability of equipment and facilities are of a high order. Future assessments 

will be facilitated if the ACD presentations to the NRC panel place greater emphasis on 

separating service activities from development and research activities and if the status of 

and progress on projects are clearly reported. 

ADDRESSING NATIONAL PRIORITIES 

The ACD is involved in new NIST-level programs on standards and methods to 

address the challenges of the hydrogen economy, climate change, nanotechnology, 

biofuels, and medical diagnosis. These challenges provide a framework for development 

of improved metrical methods, standards, and materials. The issues involved in new and 

renewable energy, environmental stewardship and measurement accuracy, and 

improvements in health and medical research are important national priorities. 

The Inorganic Chemical Metrology Group is addressing biology as metal-protein 

complexes (metallomics); the biogeochemical cycling of sulfur and the formation of 

sulfate (SO4

2-) aerosol particles in the atmosphere; the oxidation states of arsenic; 

organometallic species in marine tissue standard reference materials (SRMs); sulfur at 

levels of less than a microgram per gram in diesel and gasoline SRMs; and the 

measurement of small quantities of fissionable nuclides such as 235U and 239Pu. Such 

projects are in response to requests from outside agencies as well as industrial consortia. 

The mission of the Organic Chemical Metrology Group includes the 

development, critical evaluation, and application of methods for the identification and 

measurement of organic and organometallic species using analytical separation 

techniques and mass spectrometry. This mission is addressed by the measurement of 

organic compounds in support of the development of SRMs, quality assurance programs, 

and other agency activities in clinical, food and nutritional, environmental, forensic, and 

homeland security areas. This work is in alignment with essential national priorities. The 

addition of work that addresses nanotechnology would also be aligned with national 

priorities. 

 The Gas Metrology Group has focused on dynamic dilution for reducing 

uncertainties in gas standards; global climate studies; a volatile organic compound 

standard for environmental and hazard monitoring; the development of reference 

materials based on input from organizations such as the AIGER (Automobile 

Industry/Government Emissions Research) consortium; and the development of standards 

and methods to determine and monitor the concentration of ozone in the atmosphere. 

These projects reflect input from industry and industrial consortia that need high 

standards for purity and effective methods related to gas and emissions monitoring. The 

group must prepare itself to play a critical metrology role in any carbon emissions trading 

system that may be implemented to address global climate change. 
6 

For over two decades, the ACD has been involved in the banking of 

environmental specimens and analytical programs to ensure marine quality; these 

activities are collaborative efforts supported by NIST resources and funding from other 

federal agencies. The division currently maintains environmental specimen banks at two 

locations: the National Biomonitoring Specimen Bank at the NIST Center for Neutron 

Research in Gaithersburg, Maryland, and the Marine Environmental Specimen Bank at 

the Hollings Marine Laboratory (HML) in Charleston, South Carolina. The banks 

support important work in medicine and marine chemistry and biology. 

NIST is the lead agency for metrology in nanotechnology. The accurate and 

comprehensive assessment of the risks to health and the environment posed by 

nanoparticles and nano devices is important. ACD staff typically develop methodologies 

by using and evaluating commercial instrumentation. This is a reasonable approach that 

gives their work direct impact across the ACD constituent communities. However, the 

ACD should be more involved in advancing technology to improve environmental 

monitoring, homeland security, forensic investigation, and clinical diagnosis. As the 

premiere analytical agency in the United States, it could play a more central role in 

developing new measurement techniques and in advancing the science of metrology into 

the biological and nanotechnology areas. Such fundamental studies will, however, require 

additional funding and should not be done at the expense of the ACD’s current work on 

developing standards and methods. 

IMPACT AND INNOVATION 

ACD supports the mission of the CSTL by adhering to the vision it states as 

follows: 

To be recognized as the nation’s reference laboratory for chemical measurements, 

providing traceability through measurement technology, reference materials, reference 

data, and other measurement services required to meet science and technology needs. 

This vision is being realized through a strategy to conduct research on the 

qualitative and quantitative determination of chemical composition; develop and maintain 

state-of-the-art chemical analysis capabilities; disseminate tools for measurement 

traceability and quality assurance (such as reference materials, reference data, and other 

services); and demonstrate comparability of U.S. standards for chemical measurement 

with those of other national metrology institutes. 

These core competencies allow the ACD to carry out its broad mission and give it 

the flexibility to respond to changing and evolving national priorities. In 2007 these 

competencies reside in three main groups: the Inorganic Chemical Metrology Group, the 

Organic Chemical Metrology Group, and the Gas Metrology Group. The organization 

was recently restructured to improve efficiencies and manage specific activities through 

multidisciplinary teams better able to address the changing landscape of analytical 

sciences. 

The three primary groups collaborate in a number of high-priority program areas, 

including reference measurement methods and standards for environmental quality; 

clinical diagnostics; food, dietary supplements, and nutritional assessment; forensics and 
7 

homeland security; commodities characterization; and advanced materials 

characterization. 

Internationally recognized reference methods support the division’s infrastructure 

for providing traceability for the chemical measurements used in programs of national 

and international importance through SRMs, NIST traceable reference materials, 

measurement quality assurance programs in critical areas, and comparisons of NIST 

chemical measurement capabilities and standards with those of other national metrology 

institutes. 

The technical merit of scientists within ACD has been acknowledged in a number 

of different ways. During 2006, research in the division resulted in 60 peer-reviewed 

publications with an additional 28 manuscripts in press, down from an average of 106 

publications per year over the preceding 4 years. In addition, staff gave 137 scientific 

technical talks, which is also fewer than the 196 talks in 2005. The status of the division 

with respect to other metrology communities at home and abroad is demonstrated by staff 

participation in 127 scientific committee assignments, up from 100 in 2005, and at the 

average of 128 over the preceding 4-year period. 

In the area of fuel cell imaging technology, an exploratory research project has led 

to the conception and design of a new neutron-radiation-based imaging system that, when 

implemented, will allow the observation of the chemical actions in a fuel cell or across 

single biological cells. Applications such as biological cell imaging then become 

possible with this high resolution, as well as the ability to map the flow characteristics of 

hydrogen species across the proton exchange barrier of a hydrogen fuel cell. The 

development of SRMs for use in the biofuel industry should receive continued support, 

given the explosion of industrial activity in biofuels over the last year. 

The electrochemistry activity is now down to one person. This calls into question 

the future viability of this program, and ACD must consider the intellectual losses that 

would result from the disappearance of this group. 

In the area of nanoscience metrology, the collaboration with the National Cancer 

Institute and the Nanotechnology Characterization Laboratory (NCI/NCL) creates a 

natural link, especially given the topics—for example, gadolinium (Gd) and quantum 

dots. NIST is an ideal partner for NCI in this work. Gd and quantum dots have 

significant implications for many industries. 

Projects at the HML continue to be relevant, effective, and impressive in quality. 

The work on contamination of waterways by flame retardants and on illicit and 

prescription drugs is worthwhile and appears to be progressing in a satisfactory manner. 

Dietary supplements are an expanding field being explored by numerous agencies 

and governments. International collaboration is essential to prevent duplication of effort. 

The list of compounds being investigated by the division was proposed by the National 

Institutes of Health and the Food and Drug Administration. Given the wide diversity of 

both domestic and imported compounds and the multi-billion-dollar industry they 

support, this work could result in new mandated SRMs for controlling imports. 

Work on the detection of trace explosives was very impressive. Given the current 

relevance and rapid growth of homeland security efforts, this and related work deserves 

even greater emphasis. To the extent possible, ACD should position itself as the leading 

metrology group for new methods of analysis applicable to homeland security. 
8 

 In the area of proteomics and biomarker standards, health status markers have 

been identified as having high priority for immediate studies. Because protein 

biomarkers occur naturally with considerable heterogeneity (i.e., with glycosylation, 

acetylation, phosphorylation), the group has developed liquid chromatography and mass 

spectrometry techniques for chemical characterization of the target species, particularly 

the protein-based markers such as troponin I and prostate-specific antigen. This work is 

critical to continued biotechnology efforts. 

TECHNICAL MERIT 

Overall the technical merit of the division is excellent. Increased effort could be 

expended in developing analytical technology as well as methods and SRMs. Research 

in new technologies to advance the analytical sciences in any particular field seems to be 

left somewhat up to the individual group leaders and their views on how assertively to 

investigate such new measurement technologies. If the group leader exhibits leadership 

and is motivated to move an analytical technique forward, then that technique is included 

in the group’s activities. 

The technical merit of the Inorganic Chemical Metrology Group projects is, 

overall, very good to excellent. The emphasis on isotopic metrology for elemental 

isotopic measurements is highly appropriate. This is in many ways a breakthrough 

project leading to improvements in fundamental understanding of geological eras and 

origins of Earth and the planets. It enables improved understanding of biological 

processes such as kinetics and life cycles. The work on sulfur in diesel fuel is good, and 

the work on arsenic in drinking water is first rate and will result in additional reductions 

in detection limits and increased identification of specific arsenic species. The work 

associated with the various programs and projects in mass spectrometry, x-ray 

fluorescence, optical spectrometry, and sample preparation is proceeding well and 

underpins the productive role of this group in creating, developing, and maintaining the 

SRMs that constitute nearly three-fourths of ACD’s products. 

 The Organic Chemical Metrology Group is developing standards and methods to 

determine the levels of specific proteins and other biomolecules in blood as indicators of 

certain disease states. This effort is largely motivated by proteomic biomarker discovery 

research supported in part by the NCI. There is currently enormous government and 

industry investment in developing protein biomarkers for specific disease states, and the 

results of this ACD group have shown a dramatic need for improved metrology. Needed 

to establish a quality assurance infrastructure for protein biomarker measurements are 

reference materials of known composition and stability; reference measurement 

procedures; and reference data libraries. Efforts are under way at ACD in each of these 

areas to establish measurement traceability and reliability. The group’s research 

activities in separation science continue to investigate the physical and chemical 

processes that influence retention in liquid chromatography, gas chromatography, 

supercritical fluid chromatography, capillary electrophoresis, and capillary 

electrochromatography. Results from these fundamental studies are used to design 

stationary phases tailored to solve specific separation and analysis problems and to assist 

in method development and optimization. Additionally, during the past 2 years, the 
9 

group has measured a number of SRMs of importance to the clinical, environmental, and 

food and nutritional communities. 

The metrology sciences applied by the Gas Metrology Group are state of the art 

for this industry and have generally served as a benchmark for other domestic standards 

and gas measurements. The group has been conducting important projects in dynamic 

dilution, reference standards for the automotive industry, and ozone measurements. 

The balance between services work and advanced technology or methods research 

is the key distinguishing characteristic of the programs of this division. The programs 

having a high service load relative to SRMs and international comparisons do not have 

the resources of time or personnel to pursue cutting-edge or proactive research. This 

disturbing aspect of the project planning process greatly reduces opportunities to perform 

the research necessary to address future—as opposed to present—customer needs. The 

scientific expertise within NIST is a national resource that should be valued highly. The 

scientists must have enough time to incorporate cutting-edge research into their portfolio. 

A number of programs have indeed been successful in obtaining extramural funds and are 

fulfilling the vision and mission of NIST—that is, meeting future challenges. 

INFRASTRUCTURE 

The division employs approximately 88 scientists, technicians, and 

administrative/clerical support staff. It has an annual budget of about $21 million, about 

$5 million of which supports programs of other federal and state government agencies 

and/or American industry on a cost-reimbursable basis. 

The division recently experienced a reduction in full-time positions. Over the last 

4 years there has been a steady decrease in personnel, specifically in the permanent lines. 

Eleven permanent professionals were lost from this division mostly owing to their 

transfer to the Biochemical Science Division. Reductions in scientific personnel have 

particularly profound consequences in this division because its SRM program and 

international activities result in a very high service load, and it is tasked with a leadership 

role in nanotechnology as well as support roles in homeland security, global climate 

change studies, and the new hydrogen economy. In particular, the Gas Metrology Group 

has been constrained in developing new gas measuring technologies and associated 

methods because it does not have enough Ph.D. staff. 

Recent research in organic chemical metrology within the division has focused on 

techniques for characterization and quantitative determination of organic compounds, 

including proteins, in biological matrices. In FY05 and FY06, several new instruments 

were purchased that significantly increased the division’s capabilities for the 

determination of trace-level analytes of health, nutritional, forensic, and environmental 

importance, as well as its ability to characterize proteins and other biomolecules and 

natural products. 

The acquisition of an ultra-high-pressure, high-performance liquid chromatograph 

should be considered soon. This instrument is used routinely in the pharmaceutical 

industry to achieve improved separation efficiency and faster analysis. Maintaining stateof-the-art core competency requires this addition. New SRMs for both organic 

nanoparticles and atmospheric aerosols will likely be needed to support the fast growth of 

nanoscience and nanotechnology and the increasing interest in climate change. The 
10 

addition of personnel with expertise in the mass spectrometry of environmental aerosols 

and the characterization of nanoparticles is recommended and is consistent with NIST’s 

interests. ACD’s interest in nanoparticle characterization logically overlaps with that of 

other NIST divisions. 

Reconfiguration of the ACD has brought some improvement, particularly with the 

integration of the Nuclear Analytical Methods Group and the Inorganic Chemical 

Metrology Group and the transfer of the microfluidics activity to another division. Also 

the direct reporting of the HML specimen bank team to the Division Chief is a reasonable 

change that promotes efficiency. 

Both the Gas Metrology Group and the electrochemistry program within the 

Inorganic Chemical Metrology Group are short-staffed by several positions, given current 

and potential future needs in these areas. 

ACD has made commendable efforts to combat increased operating costs while 

still allowing for new projects to be mounted and existing projects to be continued. The 

increased charges for SRMs have alleviated some problems, and new funding by 

Congress is predicted to allow most activities to continue. In the face of increasing 

overheads, the division should critically assess the cost of maintaining such a large 

inventory of SRMs and determine the consequence of eliminating those in very low 

demand. 

CONCLUSIONS 

Additional Ph.D.-level staff should be recruited to prevent the loss of critical 

expertise and to allow the NIST knowledge pool to expand into critical areas such as 

proteomics, environmental aerosol mass spectrometry, and nanoparticle characterization. 

The potential loss of expertise in the following areas is of concern: gas metrology; 

electrochemistry; glass mixing, cutting, and polishing with the high precision required for 

SRMs; and precision machining for SRM quality fixtures. With the high skill levels 

required in the production quality of SRMs, neglect of these functions could seriously 

jeopardize future SRM quality or costs of production. These important support services 

are of vital interest to the entire CSTL. 

ACD program design and planning are very good. The new cross-divisional 

planning exercise (addressing program opportunities in nanoscience metrology and in 

bioscience, including biomarkers and systems biology) conducted at the CSTL has had a 

positive impact on ACD and should also help ACD to integrate its work with other 

divisions within and outside CSTL. The mechanisms for determining project priorities 

and urgencies come from government directives and funding of projects as well as 

feedback from industry and committee interactions. ACD has not promoted its 

contributions and accomplishments at a level commensurate with the magnitude of its 

contributions to the field of analytical chemistry. The result of this underpublicized 

activity is that industry, academia, and other government laboratories may not be aware 

of some cutting-edge standards and methods and may be applying antiquated techniques 

for their own operations. 

The laboratory should carefully consider the real costs of SRM development and 

recertifications for specialized industries where only a few SRM samples are purchased. 

ACD should reconsider its pricing for SRMs where high-profit industries are requesting 
11 

only a few SRM samples. Indeed, its current SRM pricing structure does not reflect the 

cost of producing such standards and the supporting infrastructure required to maintain 

world leadership in standard materials. In such cases, it could impose a surcharge based 

on actual costs. 

 Specimen banking and marine quality assurance activities should be maintained. 

These banked specimens might one day be used to address issues of marine 

environmental quality and ecosystem changes through retrospective analyses and as such 

constitute a critical national resource. 

Additional time and effort must be expended in mentoring and guiding the staff of 

other NMIs not having the skill sets and training of the ACD scientists. The participation 

of ACD staff in international comparison activities is vital to its own mission and 

function. Resource constraints could eventually begin to limit these necessary 

interactions. The constraints include time available to perform comparisons, generate 

reports, and travel; and staff shortfalls, especially in the Gas Metrology Group. 

Efforts should be made to reduce the burdensome tasks of SRM maintenance, 

which is currently performed by the most highly qualified staff. The division should also 

help to make its scientists more visible in their respective scientific communities. 

A strong molecular spectroscopy effort should be built within the ACD, because 

this capability was transferred to the Biochemical Science Division but is still needed 

within the ACD. 
12 

Biochemical Science Division 

SUMMARY 

The CSTL and new division leadership are making an impressive start in 

revitalizing this important area where NIST is expected to have strong growth. The 

Biochemical Science Division (BSD) has a wide array of scientific activities ongoing in 

three groups: DNA Measurements, Biospectroscopy, and Cell and Tissue Measurements. 

Structural biology at the Center for Advanced Research in Biology (CARB) and 

microfluidics activities have been transformed into three groups to promote better 

interactions. Two extramural efforts also are taking place: a marine bioscience and health 

program with the HML in Charleston, South Carolina, and work with the NCI on 

nanoparticle toxicity (nanoparticle toxicity work is also going on in the ACD). The BSD 

has formulated a set of strategic goals tied to the BioVision for NIST. Referred to as 

“mapping onto the omics,” the overarching goal is to integrate the various activities of 

the division into the emerging fields of genomics, transcriptomics, proteomics, 

metabolomics, and cellomics. By focusing on how NIST can provide measurement 

science and standards to these disciplines, the division believes that it will be able to align 

itself effectively with key national priorities and optimize the impact of its expertise. 

Overall, the strategy is an excellent one and should serve as a solid template for assessing 

BSD’s progress over the next few years. 

ADDRESSING NATIONAL PRIORITIES 

BSD has refocused its priorities to reflect the strengths that NIST can bring to the 

biotechnology enterprise. Health care and environmental issues; understanding basic 

biological mechanisms and translating this information into useful technologies; and 

incorporating new metrologies and standards into its mission are top priorities for the 

division. Because the U.S. Measurement System (USMS) was an important national 

priority and a far-reaching effort led by NIST, BSD should link its research more 

extensively into the findings of that recently completed study. A recent interdisciplinary 

team has completed an analysis of program opportunities in bioscience (biomarkers and 

systems biology) to understand and realign CSTL’s bioscience priorities. The next step 

will be for BSD to get external input in order to make sure that its program choices will 

have maximal impact in the scientific community. The new strategic focus holds promise 

for significant progress in the next year. 

IMPACT AND INNOVATION 

BSD has a solid track record for high-impact, innovative research that seems to be 

highly fragmented. Its members have contributed to the development of a BioVision for 

NIST. The recent Program Opportunities Task Force has attempted to tie these excellent 

pieces together via a small set of overarching research objectives that would increase 

cross-fertilization and leverage to meet larger unmet measurement needs, ideally in 

conjunction with the findings of the USMS study. These goals might impact about 20 

percent of the research agenda, still allowing for the majority of the portfolio to be 
13 

composed of smaller-scale research investigations. However, in these areas, some degree 

of top-down objective setting could focus the contributions. Collaboration across entities 

exists but is mostly bottom-up and project-oriented. The new division leadership has all 

the right management and organizational skills to successfully drive this forward. In 

addition, the division operates with relatively small teams (two or three scientists). A 

greater impact could undoubtedly be achieved with fewer but larger teams focused on 

key problems. 

The overarching themes that have emerged from recent strategic analysis are 

standards and technology for biomarker discovery and use and measurements, standards, 

and technology for understanding complex biological systems. BSD hopes to align its 

groups under these themes in order to achieve a high impact. This effort should be 

rapidly implemented. There are a number of programs that are innovative, wellmotivated, and an example of NIST’s unique mission and capabilities: 

• The program on array scanner error and calibration across platforms 

represents good science that aligns with the mission of NIST. It represents a 

unique ability to understand and standardize measurement as new applications 

of arrays go beyond gene expression. This work should be extended, most 

notably to comparative genomic hybridization, copy number variation, and 

microRNA. 

• The program on DNA damage and repair measurements demonstrates 

excellent research that has resulted from years of contribution addressing 

challenging problems; it is even more valuable today than was anticipated at 

the outset. 

• The program on DNA forensics represents excellent and important research 

on fundamental questions important to application needs. 

• The program on quantitative cell biology demonstrates an impressive 

approach to multiplexed cellular measurements and quantitative cell imaging. 

This work addresses important unmet needs and directions for cellular 

pharmacology and diagnostics. 

• The program on spore reference methods consists of very important, relevant, 

and useful research for biodefense and related applications. 

• The program on biothermodynamics demonstrates very impressive 

measurement capability and understanding of the fundamental science. 

Some of the BSD’s strong research programs may benefit from a shift in direction 

to increase their significance or improve their alignment with NIST’s mission: 

• The x-ray structural work is challenging research, but its only focus seemed to 

be the discovery of new structures, which seems better suited to academia. It 

is unclear how NIST gained value from this work. 

• The research in understanding cellulose to glucose leverages NIST’s strong 

biothermodynamics core competency, but it is unclear whether this research is 

best done at NIST. For example, perhaps the Department of Energy or the 

National Science Foundation might be better able to drive efforts to gain a 

mechanistic understanding. 
14 

• While the microfluidics technology work appeared to be strong, its integration 

with cell biology was weaker and could benefit from collaboration with a 

biologist. As a result the microfluidics cell efforts seemed to lack purpose and 

direction. 

• Systems biology is a key direction for biosciences investment, and it is good 

that this program has been launched in the cell and tissue measurements 

group. This is a good example of an area where higher level goals could be 

set that would drive greater integration of efforts, especially across 

informatics/biocomputing and biology, which appeared not as tightly linked as 

they should be. 

In general, success criteria for programs would benefit from improved clarity. 

Basic research and directed research aimed at advancing the distinct charter and role of 

NIST seemed uncoupled and at times at odds. Directed research cannot, of course, occur 

without a fundamental understanding of the challenges and trade-offs in the underlying 

science, but the BSD would be well-served to explicitly link its more basic research 

investments to the potentially important measurement-related outcomes that are 

envisioned for its research. Senior leaders at CSTL could provide greater context and 

vision to both postdoctoral staff and more junior staff on how their basic research efforts 

will impact NIST’s mission in the long term—that is, the business value of the standards 

linked to their more basic efforts. In this sense, especially for the more basic work, it was 

not clear that success and its impact were well defined. A study that can be done with a 

government research grant at a university and that does not advance measurement science 

and technology should not be done at NIST. 

BSD’s dissemination of results and products follows traditional scientific lines 

with articles in peer-reviewed publications as the primary mode. BSD and CSTL should 

formulate and communicate a clear strategy for invention disclosure and patents to 

stimulate the commercialization by others of their technologies and products. They 

should consider active participation in such standards organizations as ASTM F04. BSD 

should reach out to the basic and applied biology communities, initiating workshops and 

conferences that publish their proceedings and building an industrial advisory board to 

assist in setting priorities. 

TECHNICAL MERIT 

The quality of the research staff and their commitment to executing and 

publishing cutting-edge research are impressive. The technical merit of most of the 

research programs was outstanding, and the journals in which its researchers publish are 

of high stature. Scientists in BSD average two papers per year in good journals, and 

many are internationally recognized for their research. It is clear that this generation of 

researchers upholds NIST’s outstanding reputation for rigor in metrology, understanding, 

and control. CSTL is taking a broad approach to where it can contribute to standards. It 

has gone well beyond traditional areas for standards (e.g., it bottles precise chemical 

solutions) and is looking for nontraditional opportunities to advance the biosciences, such 

as work in databases; ontologies; and multiplexed, multivariate computation. 
15 

INFRASTRUCTURE 

BSD leadership has appropriately created a flatter organization that integrates two 

of the five existing units into three main groups. This integration of microfluidics and 

CARB activities into the BSD will create greater opportunities for synergy and 

cooperation across the program. Having fewer and larger organizations also reduces 

competition inside the organization and allows for more free-flowing sharing of resources 

to address higher level priorities. 

Facilities and equipment are excellent, especially at CARB, which is located at 

the University of Maryland and whose infrastructure appears to be directly linked to its 

facility investments. Given the physical separation of BSD and CARB, the former should 

pursue opportunities for cross-site engagement through additional efforts such as Internet 

seminars and meetings, minisabbaticals, and other cross-site research opportunities. 

There are currently 57 staff members and 40 guest scientists in BSD. Given the 

number of projects being pursued, the scientists are clearly stretched, and the low ratio of 

technical staff to Ph.D. scientists means that most senior scientists operate with minimal 

technical support. New program goals will probably necessitate additional staff if the 

division is to keep pace with the rapid expansion of the biochemical sciences in the 

United States and the world. 

CONCLUSIONS 

BSD is clearly undergoing considerable revitalization, both organizationally and 

strategically. The creation of a BioVision for NIST is an excellent idea. To ensure 

successful achievement of its goals, division leadership must strive to bring in young 

scientists who are trained at the relevant scientific interfaces; this is critical in light of the 

fast pace of advances in the field. BSD should also settle on a small set of projects within 

the disciplines of genomics, transcriptomics, proteomics, metabolomics, and cellomics. 

The selected projects will serve as the basis for future evaluation of BSD’s progress. 
16 

Physical and Chemical Properties Division 

SUMMARY 

The activities of the Physical and Chemical Properties (PCP) division are central 

to existing and emerging national priorities, and some U.S. industrial and academic 

establishments rely heavily on PCP’s efforts. There is an apparent lack of mechanisms 

for effective internal dissemination of results and for communicating between groups, 

projects, and divisions. It would be desirable, for example, to have weekly seminars 

attended by all division staff. PCP is productive and has considerable impact, as 

indicated by the number of users who access the products it makes available on the Web 

or who license the software; it would be useful to document that productivity and impact 

in a more systematic manner. PCP and CSTL as a whole should develop a strategic plan 

for managed growth, including recruitment, and identify areas of opportunity and areas 

for concern. 

ADDRESSING NATIONAL PRIORITIES 

The measurement of chemical and thermophysical properties; the systematic 

archival, assessment, and dissemination of relevant experimental data; and the 

establishment of standards are all aligned with the mission of NIST. These activities are 

central to some existing and emerging national priorities, and PCP excels at them. 

The division consists of eight groups, three located at Gaithersburg and five at 

Boulder. The activities and products of each group are listed in Table 1. 

IMPACT, INNOVATION, AND TECHNICAL MERIT 

The Chemical Reference Data group is developing standard chemical identifiers 

(InChI) and data for molecular identification, both of which support the NIST mission. 

The Chemistry WebBook maintained by this group disseminates results to the public. 

The WebBook is accessed by thousands of researchers (25,000,000 hits to date) and is a 

valuable national resource that could be made even more valuable by being integrated 

with the products of other groups in the PCP and other NIST divisions. A means of 

retrieving data for a list of compounds rather than just one at a time would be very useful. 

The Mass Spectrometry Data Center is impressive, and the group is pursuing new 

directions in peptide and protein mass spectra. This product is widely licensed by 

instrument manufacturers to include in their data analysis software.

The Computational Chemistry group’s activities are essential for validating data 

sets and for calculating properties that are difficult to measure. Computational chemistry 

is an important activity, and the theory group nicely complements the experimental 

activities of several projects, including that on real fuels. Efforts to quantify the accuracy 

of theoretical predictions are important, as is the reporting of this information. The new 

direction, aimed at using theory to improve peptide identification by mass spectrometry, 

is a positive one. Theoretical work in nanotechnology is timely and will become 

particularly relevant as NIST’s efforts in nanotechnology continue to grow. It would be 
17 

TABLE 1 Summary of the Activities and Products of Each Group in the PCP Division 

Group Activities Products 

Chemical Reference Data 

(Gaithersburg) 

WebBook database; mass 

spectrometry and chromatography 

data; International Chemistry 

Identifier (InChI). 

Chemistry WebBook; Mass 

Spectrometry Data Center; 

InChI. 

Computational Chemistry 

(Gaithersburg) 

Computational methods validation 

and development; peptide mass 

spectrometry predictions; electron 

transport; nanoparticle properties. 

Computational chemistry 

comparison and benchmark 

database. 

Real Fuels Project 

(Gaithersburg) 

Measure and evaluate reaction rate 

data for combustion and 

atmospheric models; global 

warming potentials. 

Gas-phase kinetics database; 

atmospheric kinetics; 

ChemRate. 

Thermodynamics 

Research Center (TRC) 

(Boulder) 

Information system development 

for thermophysical properties; 

evaluate and estimate properties. 

ThermoML (IUPAC); 

ThermoData engine; TRC 

tables; FloppyBook databases. 

Properties for Process 

Separations (Boulder) 

Advanced distillation curves; fuel 

decomposition kinetics; properties 

of explosives; trace components in 

fuel gas; chemical analysis. 

Gas chromatography data (in 

WebBook). 

Experimental Properties 

of Fluids (Boulder) 

Measurement of thermodynamic 

and transport properties. 

Included in RefProp, others. 

Theory and Modeling of 

Fluids (Boulder) 

Develop high-accuracy models for 

fluid properties; property 

evaluation and estimation. 

RefProp; SUPERTRAPP; 

others. 

Cryogenic Technologies 

(Boulder) 

Refrigeration process models; 

cryogenic measurement 

techniques; pulse tube cryocooler; 

properties and process data. 

Cryogenic material properties 

database; cryogenic flow 

calibration/tests. 

desirable, however, to develop new initiatives in many-molecule calculations and forcefield development, which would facilitate closer ties to the experimental efforts 

in fluid property characterization. The division should also pursue its own efforts in 

methods development, thereby ensuring its access to state-of-the-art theoretical chemistry 

methods. The Industrial Fluid Properties Simulation Challenge in its current form is 

imperfect; some restructuring is needed to turn it into a more relevant and constructive 

endeavor. 

The Real Fuels Project group represents an important activity that is highly 

relevant to our nation’s energy policies. Activities in atmospheric kinetics are also 

important for environmental considerations. An authoritative set of Global Warming 

Potential values for atmospheric species should provide useful guidance to climate 

control efforts. Making kinetic measurements at actual combustion temperatures is a 

worthy endeavor; the data are important and will be used. 

The Thermodynamics Research Center (TRC) group is essentially a data 

collection, analysis, and dissemination activity in which many undergraduate students are 

involved. A thermodynamic data evaluation project evaluates literature data, archives it, 
18 

and makes it accessible to users for a fee. This appears to be an extremely useful and 

successful project. The division has worked hard to make data easily accessible. 

Charging for its use, however, is a barrier to dissemination. Dissemination to educational 

institutions should be free in order to maximize its value to the nation, and there appears 

to be a genuine desire within the division to do this. Commercial users should pay a fee 

that is commensurate with their user base. Overall this thermodynamic data evaluation 

project is an impressive activity. 

The Properties for Process Separations group interacts extensively with industry. 

Sometimes collaborations produce funding, depending on the arrangement. This group 

includes an effort aimed at measuring the properties of explosives, including vapor 

pressures, surface energies, and permeation. It has developed clever techniques to 

measure very low vapor pressures, an essential attribute for work on explosives detection, 

which is sponsored by the Transportation Security Administration (TSA). This work is 

highly relevant and important. NIST seems to be one of the few agencies measuring these 

properties. It should advertise this function or activity and generate more resources for 

this work, particularly from TSA and other intelligence/security agencies. It would be 

desirable, moreover, to interact with detection instrument makers. Additional 

communications and possibilities for synergistic collaboration (e.g., with other national 

metrology laboratories) in this area should be explored. The Properties for Process 

Separations group also measures distillation curves, which provides a wide variety of 

information for applications. The group has developed a new concept called the 

Advanced Distillation Curve (ADC). This is essentially a more controlled and elaborate 

way of measuring distillation curves that reduces variability and uncertainty. Advanced 

distillation curves include much more information, including the composition of each 

fraction that is being distilled. This activity, while useful, is quite mature and not really 

at the forefront of research. More innovation is necessary, and it would be desirable to 

extend collaboration with the Real Fuels Project. 

Experimental Properties of Fluids is a data acquisition group with considerable 

expertise in the measurement of thermodynamic and transport properties of pure 

components and mixtures (e.g., densimetry, phase equilibria, calorimetry, thermal 

conductivity, quartz-balance viscometry). Priorities for measurements are set by very 

reasonable criteria. Overall this is a solid group conducting state-of-the-art 

thermodynamic measurements. A new effort on biofuels centered around alcohol 

mixtures and biodiesel (esters from plants) is likely to produce useful results. The 

group’s comprehensive activity will include data measurement and modeling to feed 

information to customers. An enhanced knowledge base will permit better evaluation of 

alternatives, more prospects, and better economics. This could become a high-profile 

project. The group should explore and establish connections to the Department of Energy. 

The Theory and Modeling of Fluids group is relatively small. It includes multiple 

collaborations with overseas groups, including some in Germany, Japan, Greece, Great 

Britain, Argentina, and Mexico. Development of accurate equation-of-state (EOS) 

models for fluids, including refrigerants and significant components of combustion and 

synthesis gas streams, is important for technology advances in new refrigerants and novel 

energy systems. The RefProp computer program, which implements these models in an 

easily usable form, is an effective way to disseminate these results. EOS development or 

data measurement is declining in the United States and increasing overseas. The group 
19 

expressed concern over a shortage in this country of individuals highly trained in data 

measurement and prediction. The emphasis of the group is on description-correlation of 

properties, as opposed to prediction. The modeling effort should be expanded and 

become comparable to the accompanying experimental program. True predictions are 

essential to gain insights, to design or engineer fluids with particular properties, and to 

provide properties for difficult systems (e.g., explosives, where the samples are allegedly 

very hard to get). The connection between the many-molecule theory efforts at the 

Gaithersburg facility and those at the Boulder facility should be strengthened. Activities 

in humid gases provided a noteworthy example of what can be done with true predictions 

and of how electronic structure efforts can be combined with statistical mechanics to 

address important experimental questions. PCP should consider expanding efforts along 

these lines. 

The Cryogenic Technologies group activities include measurement, model 

development, calibration of cryogenic flowmeters, and materials evaluation (materials 

testing is no longer pursued at NIST, but literature continues to be mined and evaluated 

by NIST). The group focuses on advanced refrigeration systems, mostly closed-cycle 

coolers (sponsored by a variety of agencies or customers, including the Navy, the 

Defense Advanced Research Projects Agency [DARPA], the Air Force, and 

Cryomagnetics, Inc.). This is a creative group and represents a national resource for 

work on cryogenics. The efforts are clearly technologically relevant, and this advanced 

group offers unique capabilities. 

Databases are part of the activities and products of several groups, including 

Chemical Reference Data, Computational Chemistry, the Real Fuels Project, Cryogenic 

Technologies, and the Thermodynamics Research Center. However, there is a need for a 

comprehensive plan for maintaining, improving, and disseminating critical, fundamental 

databases such as those for chemical kinetics and electron impact cross-section. 

The number of talks presented by the PCP division at scientific meetings in 2006 

(78 presentations) declined significantly (by more than 30 percent) from what it had been 

in recent years. It was unclear whether this was a result of budgetary restrictions. It is 

extremely important for the division staff and postdoctoral fellows to publicize their work 

at meetings. 

There was an apparent lack of mechanisms for effective dissemination of results 

and for communication between groups, projects, and other CSTL divisions. It would be 

desirable, for example, to have weekly seminars that are attended by all division staff. 

This is particularly important since this division is split between two sites. 

 PCP must continue to publish its members’ work aggressively. The number of 

publications in 2006 was consistent with that in previous years (an average of about 70). 

The number of publications is one of the key metrics by which engineers and scientists 

evaluate their performance, and it is important for PCP to maintain a high profile in the 

literature. It is also important for the division to examine the metrics that it uses to 

evaluate its progress. 
20 

INFRASTRUCTURE 

The division has traditionally been a leader in the measurement, characterization, 

and prediction of thermophysical properties. The division has always had a welldeserved, outstanding reputation in academic and industrial circles. It must ensure that 

such a tradition of excellence is maintained, particularly as prominent senior researchers 

retire or leave NIST. Some in the division expressed concern that it is becoming 

increasingly difficult to recruit young scientists and engineers in the areas of interest to 

PCP. The division and the laboratory as a whole should develop a strategic plan for 

managed growth that would address recruitment issues and could identify areas of 

opportunity and areas of concern. 

 The division has access to state-of-the-art instrumentation. Part of the division, 

particularly in Gaithersburg, expressed concern about the lack of physical space for staff 

and laboratories. The laboratory should address that concern and develop and discuss its 

plan for more effective space allocation. 

CONCLUSIONS 

PCP activities are central to existing and emerging national priorities. Some U.S. 

industrial and academic establishments rely heavily on the efforts of the division. There 

were, however, few apparent mechanisms for effective internal dissemination of results 

or for communication between groups, projects, and divisions. It would be desirable, for 

example, to have an internal weekly seminar series attended by all division staff. The 

division is productive and has considerable impact, as indicated by the number of users 

who access products that the division provides on the Internet or who purchase licenses 

for the software; it would be useful to document that productivity and impact in a more 

systematic manner. The division should develop a strategic plan for managed growth that 

would address recruitment issues and could identify areas of opportunity and areas for 

concern. 
21 

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. 

PMD provides essential calibration services in fundamental parameters that support many 

sectors of the U.S. economy as well as facilitate international commerce. It conducts 

research that is directly aligned with NIST and national priorities. Examples include 

research supporting the Department of Homeland Security (microsensor chemical 

detectors), the climate change research community (spectroscopy, gas properties), the 

biopharmaceutical industry (gold nanoparticle reference material), developers of the 

hydrogen economy (hydrogen gas data and flow rate), and the semiconductor industry 

(atomic layer deposition, humidity, and trace gas measurements). In those parameters 

for which PMD maintains U.S. national standards and provides measurement services, it 

is generally preeminent among NMIs. This division is an important national resource. 

The overall mood of PMD staff appears to be positive, with researchers who are 

dedicated to maintaining and enhancing the international stature of the division. 

ADDRESSING NATIONAL PRIORITIES 

The NIST mission and current national priorities place increasing demands on 

technologies and services that are the responsibility of PMD. The technologies necessary 

for nanomanufacturing, the production of biofuels, enabling the hydrogen economy, 

development of clinical diagnostics and therapies, measuring climate change, and other 

national priorities can be developed no faster than the underlying process measurements 

on which they depend. Advances in temperature, pressure, humidity, material properties, 

and other fundamental measurement areas are essential to the exploitation of new 

technologies as well as to accomplishing the goals outlined in the American 

Competitiveness Initiative. For example, research is necessary in PMD parameters to 

keep up with the rapidly changing demands of nanotechnology. An array of technologies 

must be advanced to address homeland security issues, and these technologies will put 

pressure on process measurements and the underlying measurement science for which 

PMD is responsible. For example, evaluating climate change calls for significant 

improvements in the measurement of atmospheric parameters and better knowledge of 

the properties of atmospheric gases. To make practical use of hydrogen, accurate 

information about the gas (viscosity, speed of sound, flow rate, and the like) is needed. 
22 

IMPACT AND INNOVATION 

PMD’s goals include the following: 

• Research to improve national measurement standards for temperature, fluid 

flow, liquid volume and density, pressure, vacuum, humidity, and airspeed. 

• Developing the science base that supports new and improved measurements 

and standards technologies. 

• Dissemination of measurement resources and technology through calibration 

services, SRMs, standard reference data, proficiency testing at the customer’s 

site, and other means. 

PMD has been improving measurement services and making them more 

automated. The division staff have reduced uncertainties in many parameters. For 

example, the measurement of gas viscosity is now accurate to ±0.08 percent in the range 

from 200 K to 400 K. Intermediate-range gas flow measurement uncertainty has been 

reduced from ±0.13 percent to ±0.009 percent. These improvements have benefited the 

semiconductor and gas flow instrumentation industries, among others. The new trace gas 

humidity system will measure to 14 ppb at ±1.8 percent uncertainty, a competitive 

advantage for U.S. producers of industrial gas and manufacturers of semiconductors. 

Hydrogen gas data are now available, with uncertainties of ±0.08 percent for viscosity 

and ±9 ppm for speed of sound. A new, less expensive calibration service is planned for 

completion in 2008 for mid-range vacuum calibration. 

The potential impact of success in PMD research areas is also significant. U.S. 

dominance in nuclear technology, hydrogen technology, the application of biofuels, 

biopharmaceutical manufacturing, and nanotechnology will require major innovations 

and advances in the measurement technologies for which the division is responsible. A 

few examples of research programs that could have a very large impact are listed below. 

• Because its performance is based on fundamental physical phenomena, the 

Johnson noise thermometer (JNT) could provide a means of placing 

temperature measuring systems within the cooling systems of next-generation 

nuclear reactors and in satellites, maintaining accuracy without needing to be 

removed for calibration. The same device has research applications that 

include improving the temperature scale, to which it is already being applied 

at NIST. The JNT technology will soon also be applied by NIST-Boulder to 

improve AC voltage measurements. 

• In response to the needs articulated by the NCI, gold nanoparticle reference 

materials are being developed as part of CSTL’s work on technologies for 

future measurement standards. Accurate cell phenotying requires quantitative 

analysis of images containing gold nanoparticles. In this connection, it is 

necessary to know that all the nanoparticles are of the same size and to know 

the specific size of the bare particle after each surface modification, which 

PMD researchers have demonstrated by a creative application of differential 

mobility analysis. Successful dissemination of gold nanoparticles as NIST 
23 

reference materials may facilitate new treatments for cancer and other 

diseases. 

• Advances in gas concentration standards, spectroscopic relative intensity 

standards, and in measurement of pressure, temperature, and humidity—all of 

which are active programs in PMD—will improve the monitoring of climate 

change and will support semiconductor manufacturing as well as a wide range 

of other desirable objectives. 

• More accurate property data for hydrogen (speed of sound and viscosity) will 

be used in a number of applications essential for moving the nation to a 

hydrogen economy. 

• Chemical sensors using PMD-developed microhotplate technology may make 

possible reliable alarms for poisonous gases under real-world industrial and 

military conditions. 

• PMD is developing models and metrology techniques for plasma-based 

processing of semiconductor devices such as atomic-layer deposition of 

high-k dielectrics for next-generation transistors. 

• The hybrid humidity project, nearing completion, takes advantage of the 

expertise and scientific knowledge about humidity that is uniquely available in 

PMD, including operational knowledge gained by operating the U.S. national 

standard for humidity. 

• The atomic standard of pressure program is attributable to PMD’s expertise in 

resonant acoustic and millimeter-wave techniques for determining gas 

properties. At present the system may demonstrate within months its potential 

to revolutionize pressure calibration by replacing piston gauges as primary 

pressure standards. 

• PMD is a leader in the area of micromachined chemical sensors. Especially 

noteworthy is the division’s demonstration that arrays of microsensors can 

recognize low concentrations of toxic industrial compounds in high 

background levels of reactive interferants. Applications for this technology 

include chemical warfare agent detection on the battlefield. 

• A new instrument, dubbed the “whispering gallery” resistance thermometer 

and based on the properties of sapphire, is being developed as a means of 

measuring temperature without relying on mechanically fragile platinum 

resistors. 

• The National Aeronautics and Space Administration has requested a 

calibration database of the chemical species involved in determining the 

dynamics of CO2 in the atmosphere. PMD-developed cavity ring down 

spectroscopic measurements will provide these spectroscopic parameters at 

the required ±0.3 percent uncertainty level for the 2008 launch of the Orbiting 

Carbon Observatory, designed to monitor global climate change. 

• A comprehensive, three-tiered proficiency testing program in temperature has 

been implemented to support customers from the highest level (standard 

platinum resistance thermometers) to the factory level (thermocouples). To 

maintain accreditation, proficiency testing support is essential for commercial 

laboratories that perform calibration. This new service is advertised in the 

Bulletin of the National Voluntary Laboratory Accreditation Program. 
24 

TECHNICAL MERIT 

In most calibration and measurement areas, the PMD has superb measurement 

capability, and it maintains this capability through continuous process improvements and 

research. One example is the ultrasonic interferometer manometer, which is used to 

produce the best primary standard of pressure. Since moving to the Advanced Metrology 

Laboratory it achieves an uncertainty of 3 ppm in a room whose temperature is controlled 

within ±0.1°C. These measurement capabilities are foundational to U.S. competitiveness, 

especially in new and emerging technologies. The large number of publications, 

committee leaderships, and visiting U.S. and foreign scientists and postdoctoral fellows 

testifies to PMD’s technical reputation and leadership position in measurement science. 

 Many of the division’s measurement capabilities are among the finest of their 

type, as reflected by both informal and formal key comparison analyses conducted by 

NMIs for the primary pressure standard (CCM.P-K4 and -K5), liquid volume (CCM.FFK4), natural gas at high pressure (CCM.FF-K5.a), and compressed air and N2 (CCM.FFK5.b). PMD continues to develop and initiate new calibration services (e.g., for humidity 

and trace humidity in 2006). 

 In FY06 division researchers produced 55 manuscripts for publication, had 30 

manuscripts accepted for publication, made 94 presentations, produced 6 patents, and 

participated on 73 committees, generally as committee leaders. 

INFRASTRUCTURE 

In a number of areas the division experienced declines in full-time equivalent 

(FTE) positions, such that Ph.D.s charged with essential calibration missions do not have 

sufficient time for research because they do not have enough technical support staff. The 

risk of continuing along this path is that Ph.D. researchers will either leave NIST or lose 

the expertise necessary to advance metrology. There is a need to maintain proficiency 

and competency in developing standards; a calibration laboratory cannot be sustained 

with technicians alone. A continuation in the decline of FTEs will necessitate cuts in 

calibration services and have negative repercussions for U.S. industry and commerce. 

CSTL should consider applying a differential cost recovery system for calibration 

services and a new fee system for these services within the federal guidelines governing 

NIST’s mandate. 

CONCLUSIONS 

PMD plays a key role in accomplishing the NIST mission, which is unique and 

differs from that of academia, commercial, and other government research organizations 

in that it focuses on measurement science, the development of metrological tools, and 

calibration standards. Its resources include experts in specific technical areas along with 

some of the best measurement and calibration systems. Together, these resources give 

PMD unique capabilities and strengths that are reflected in the wide range of research 

programs and measurement programs in which it is involved. 
25 

 Better PMD calibration services enhance U.S. competitiveness, promote science 

and technology, and further the NIST mission. The Department of Defense, Department 

of Homeland Security, Department or Energy, and U.S. industry depend upon NIST to 

define measurement uncertainties and to serve as the legal link to the International 

System of Units. 
26 

Surface and Microanalysis Science Division

SUMMARY 

The work of the Surface and Microanalysis Science Division (SMSD) is on a very 

high level, and the clear dedication and focus of its staff are very impressive. The SMSD 

seemed to meet all of the objectives that had been set before it. 

ADDRESSING NATIONAL PRIORITIES 

SMSD pays great attention to both national and NIST priorities, with the 

Department of Homeland Security receiving a significant amount of attention. A 

highlight of this work is the superb project on the identification of small quantities of 

explosive materials in an airport environment. The challenges are enormous, but the 

SMSD has met them admirably. The work on the detection of explosive materials 

transferred from fingers to fingerprints on surfaces is particularly impressive. SMSD has 

also made strides in the study of reproducible swiping of luggage surfaces as a sampling 

method. There appears to be a lack of theoretical support for this effort, however. Given 

that the mechanics of transport is such an important issue, such support would be 

invaluable in solidifying a very important effort. 

 Another example of how the SMSD responds to national priorities is the 

utilization of secondary ion mass spectrometry (SIMS) for the detection of enriched 

uranium in samples submitted by the International Atomic Energy Agency. 

 The SMSD has also made the important observation that the production of 

nanoparticles, a well-known scientific priority and growth area, may have important 

safety implications. This project, however, may not be as well defined as it could be and 

may need additional support. 

IMPACT AND INNOVATION 

The development of trace explosive standards based on the process of ink-jet 

printing was particularly innovative and satisfies the fundamental standards development 

responsibility of the laboratory. Although not SRM-based, it is making a big contribution 

to the calibration and verification of the many detection devices that are now or soon will 

be located in airports. This work directly supports Presidential Directive HSPD-19 on 

homeland security and will directly impact airport operations. 

 The SIMS program allows quantitative verification based on the analysis of very 

small samples of whether or not an inspected facility is producing highly enriched 

uranium. It allows determining whether a particular facility has been used to develop a 

nuclear program and as such is an important program. 

 The SMSD works on some long-range projects such as small-particle detection 

and analysis, which will have great relevance for the health and safety issues surrounding 

nanoparticles in the environment and for airport and port security. 
27 

TECHNICAL MERIT 

The SMSD exhibited quite a few areas of excellent technical merit. One example 

is the work of the Microanalysis Research Group. The recent acquisition of a 

monochromated, aberration-corrected (scanning) transmission electron microscope puts 

the group at the leading edge of analytical electron microscopy. It will allow SMSD to 

do state-of-the-art chemical imaging on a very small sample. Recognizing the need for 

this kind of instrumentation, the division has assigned some extremely talented and 

widely known and respected staff members to its operation and development. 

 The workers in the SMSD have advanced the science of microscopy a great deal. 

Through the use of state-of-the art programmable optical elements and structured laser 

illumination sources, they have extended the light microscope beyond the well-known 

diffraction limit. This very valuable approach is far from an inexpensive add-on to a 

standard microscope. Making this instrument available to academic and industrial 

scientists would guarantee that it maintains its leading position. 

 SMSD is well known for its past work in X-ray Photoelectron Spectroscopy and 

has ongoing research activities using sum-frequency vibrational spectroscopy; this work 

is an important support for research in the field of spectroscopy. 

The SIMS project involving the analysis of organic depth profiles using cluster 

ion bombardment is very important work, but it would profit quite a bit from stronger 

attempts to understand the theoretical basis for the excitation process and why some 

organic layers deviate from the norm. 

 While the work in molecular electronics is important, it has yet to lead to 

substantial results, which is a common problem in the field of molecular electronics. 

Moreover, it will probably not succeed without considerable additional support from 

experts in synthesis as well as experts with a better grasp of the theory, including aspects 

of self-assembly, device physics, and modeling. Additionally, connections to device 

fabricators and clean room operations are highly recommended. Without these additional 

resources, the work in molecular electronics may not attain significance. 

 SMSD has created databases to support surface analysis via electron 

spectroscopy; it should strive to maintain this valuable work well into the future. 

 SMSD has a very strong program in the analysis of small particles. The 

automated scanning electron microscopy (SEM)-based particle analysis allows for sizing 

up to 50,000 particles per hour and for quantifying 3,000 particles per hour. This work 

has enormous importance in semiconductor manufacturing and the analysis of particulate 

impurities and explosive materials in the air. These high-throughput methods add greatly 

to the data-mining capabilities of the division. 

 SMSD has recognized the importance of evaluating the health and safety risks of 

nanoparticles. This work would be better served if it were done in a clean room. 

Nanotechnology is a major thrust for the future, and a knowledge of its risks is clearly 

important. The production of nanoparticles standards is within the purview of the SMSD, 

and this work could lead to future SRMs. 
28 

INFRASTRUCTURE 

SMSD’s move to its new, state-of-the-art building, coupled with the acquisition of 

new equipment, was thought to be a predictor of further successes. However, it now 

appears that division personnel will be forced to move to other facilities. The CSTL 

should work with NIST management to analyze the costs and benefits of these 

rearrangements. 

 The policy of hiring many postdoctoral employees for limited terms is an 

excellent way to always have new ideas circulating within the division. The best of these 

employees could become permanent researchers for the division and would allow for the 

continuation of important projects after some current workers retire. This continuity is 

extremely important, and this aspect of the division’s approach to future hiring is an 

excellent one. The large number of projects sponsored by the ion mobility spectrometry 

work attests to the liveliness and timeliness of its research activities. 

 Collaboration with other CSTL divisions is the norm and a signature of this 

division. If the collaboration can be extended to groups at universities or to other 

national laboratories, CSTL’s work would have more impact on the scientific 

community. 

 The staff of the division is of high quality and spans many disciplines. This is an 

excellent factor contributing to scientific progress. However, more technician-level 

support would bring additional progress. 

With the move into the new building, the division was able to improve its 

instrument suite; as a result, capital needs at this time are not dire. Although manpower 

issues are ever-present, SMSD does not seem to be struggling in its endeavors. 

CONCLUSIONS 

The quality of the division’s work and its staff are on a very high level, and the 

dedication and focus of the staff are very impressive. The SMSD seems to be meeting all 

of the objectives that have been set before it. 
29 

Conclusions 

CSTL is meeting its obligations, and its priorities are appropriate and aligned with 

national 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. Future assessments will be facilitated if greater emphasis is placed on 

clarifying the distinctions between work performed to provide services and work 

performed to support research and development. 

Against this backdrop of clear and consistent success and high technical merit, the 

panel makes several suggestions for improving the operation of the Laboratory (see 

Summary).