national STANDARDS 4

Research Information Center

Gaithersburg, MD 20899

NBSIR 88-3706

Advanced Ceramics: A Critical

Assessment of Database Needs

for the Natural Gas Industry

C.R. Hubbard, S.J. Dapkunas, R.G. Munro and S.M. Hsu

U.S. DEPARTMENT OF COMMERCE

National Bureau of Standards

Ceramics Division

Gaithersburg, MD 20899

May 1988

75 Years Stimulating America's Progress

1913-1988

U.S. DEPARTMENT OF COMMERCE

NATIONAL BUREAU OF STANDARDS

NBSIR 88-3706

ADVANCED CERAMICS: A CRITICAL

ASSESSMENT OF DATABASE NEEDS

FOR THE NATURAL GAS INDUSTRY

C.R. Hubbard, S.J. Dapkunas, R.G. Munro and S.M. Hsu

U.S. DEPARTMENT OF COMMERCE

National Bureau of Standards

Ceramics Division

Gaithersburg, MD 20899

May 1988

U.S. DEPARTMENT OF COMMERCE, C. William Verity, Secretary

NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director

ADVANCED CERAMICS:

A CRITICAL ASSESSMENT OF DATABASE NEEDS

FOR THE NATURAL GAS INDUSTRY

TOPICAL REPORT

June 1986 - May 1987

Prepared by

C. R. Hubbard, S. J. Dapkunas , R. G. Munro , and S.

Ceramics Division

National Bureau of Standards

Gaithersburg, Maryland 20899

NBSIR 88-3706

Under Contract to

Center for Advanced Materials

The Pennsylvania State University

University Park, Pennsylvania 16802

Contract No. GRI-TPSU-NBS-1302-379

CAM-8801

for

GAS RESEARCH INSTITUTE

Contract No. 5084-238-1302

GRI- 88/0074

GRI Project Manager

Matthew E. Schreiner

Materials Technology and Components

M . Hsu

May 1988
,

'

.
GRI DISCLAIMER

LEGAL NOTICE: This report was prepared by the National Bureau of Standards

for the Center for Advanced Materials as an account of work sponsored by

the Gas Research Institute (GRI). Neither GRI, members of GRI, nor any

person acting on behalf of either:

a. Makes any warranty or representation, express or implied, with respect

to the accuracy, completeness, or usefulness of the information

contained in this report, or that the use of any apparatus, method, or

process disclosed in this report may not infringe privately owned

rights; or

b. Assumes any liability with respect to the use of, or for damages

resulting from the use of, any information, apparatus, method, or

process disclosed in this report.

ii
'

-

.

.
30272 -101 REPORT DOCUMENTATION

PAGE

1. REPORT NO. GRI-88/0074 CAM

1. Recipient's Accession No

4. Title snd Subtitle Advanced Ceramics: A Critical Assessment of Database Needs for

the Natural Gas Industry.

S. Report Dote June 1988

7. Author(s)

C. R. Hubbard, S. J. Dapkunas , R. G. Munro. and S. M. Hsu

ft. Performing Orgsnization Rept No NBSIR 88-3706

9. Performing Organization Name end Address

National Bureau of Standards

Gaithersburg, MD 20899

10.

Proiect/Task/Work Unit No.

11.

Contract(C) or Grant(G) No

(C) GRI-TPSU-NBS-1 302-379

(G)

12.

Sponsoring Organization Name and Address

Center for Advanced Materials

The Pennsylvania State University

410 Walker Building

University Park, PA 16802

13. Type of Report & Period Covered

Topical Report

June 1986 - May 1987

14.

IS. Supplementary Notes This work was performed under contract to Gas Research Institute, 8600 West Bryn Mawr Ave .

,

Chicago, IL 60631, Matthew E. Schreiner, GRI Project Manager, contract number 5084-23.

*. Abstract (Limit: 200 words)

A comprehensive

importance for inclu

current interest for

heat engines were de

and those relevant t of the results revea

data needs for effec

applications. Requi

and applications are

survey was conducted to identify the materials properties of potential

sion in an advanced structural ceramics database. The materials of

use in gas-fired heat exchangers, recuperators, radiant tubes and

termined. Existing computerized, numerical databases were surveyed

o the materials and application of interest were detailed. Analysis

led that existing databases were inadequate to fulfill the critical

tive application of advanced ceramics in gas-fired, high temperature

rements for establishing a new database focussed on these materials

presented

.

17. Document Analysis a. Descriptors

Numerical database

Materials properties

heat exchangers

recuperators

radiant tubes

b. Identifiers/Open-Ended Terms

heat engines

advanced ceramics

gas-fired environments

c. COSATI Field/Group

IS. Availability Statement National Technical Information Service

U. S. Department of Commerce

Springfield, VA 22161

19. Security Class (This Report)

20. Security Class (This Page)

21. No. of Pages

22. Price

(See ANSI—Z39.18) See Instructions on Reverse

111

OPTIONAL FORM 272 ( 4- 77 ) (Formerly NTIS-35)

Department of Commerce
RESEARCH SUMMARY

Title ADVANCED CERAMICS: A CRITICAL ASSESSMENT OF DATABASE NEEDS

FOR THE NATURAL GAS INDUSTRY

Contractor Center for Advanced Materials

The Pennsylvania State University

GRI Contract Number: 5084-238-1302

Subcontractor Ceramics Division

National Bureau of Standards

CAM Contract Number: GRI-T-PSU-NBS-1302-379

Principal

Investigator

C. R. Hubbard

Report Period October 1986 - June 1987

Obj ectives 1.) To identify the critical data needs for effective

applications of advanced ceramics in gas-fired, high

temperature environments; 2.) To assess the impact of

computerized access to design guidelines and critical

materials property data; 3.) To review the current stateof-the-art of computerized materials databases; 4.) To

determine the impact of next generation databases in terms

of efficient and effective utilization of numeric data,

development of materials selector codes, and applications of

artificial intelligence and expert systems; and 5„) To

recommend a strategy for implementing a unique computerized

database to establish efficient applications of structural

ceramics in gas-fired, high temperature environments.

Technical

Perspective

Advanced ceramics are well known for their high temperature

thermal characteristics, high corrosion resistance to severe

environments, and high temperature service capability.

These properties make advanced ceramics highly desirable for

applications in gas-fired, high temperature environments.

However, specific engineering data on ceramics often are

difficult to access and use. New materials and processing

technologies are being developed so rapidly that often data

are incomplete in scope, widely dispersed, contained in

reports to sponsors, or simply not disseminated. Further,

there is no technical consensus among experts as to what

material characteristics are important in specific

applications. Generally, the design criteria for advanced

iv
Results

ceramics are very different from conventional metals. For

example, the tensile strength of ceramics is only a fraction

of the compressive strength. Likewise, fracture strength,

often cited as a key parameter, only tells a limited story.

Depending on the application environment, properties such as creep, corrosion, wear, fatigue, phase segregation, and

diffusion may also be important. At the same time, the

values of many of these properties are test method dependent

and equipment dependent. There are very few standards

available to enable direct comparison of research results.

Lack of usable guidelines, coupled with confusing and

sometimes contradictory information, can be a formidable

barrier to the effective use of advanced ceramics in the

development of high efficiency gas-fired technology. To be

useful to the gas industry, specific data and design

guidelines have to be developed for gas applications and

environments

.

The rate of progress and the diversity of technological

activities pertaining to the development and the performance

of ceramics has resulted in a wealth of information that

suffers from a lack of communication to the design engineers

who are responsible for product development. Without

effective communication, the value of such data is severely

limited. Computerization of selected critical data on

structural ceramics would accomplish the highly effective

technology transfer needed to enable the gas industry to

utilize the advances in ceramics research in a timely

manner. Further, advances in database technology, such as in expert systems, may achieve not only a more effective

access to critical data, but also a more effective

utilization of that data through intelligent processing of

both the materials property data and the constraints of the

intended application.

A comprehensive survey identified 158 factual databases

currently in operation, of which only 6 publicly available

databases were found to contain a significant fraction of

the documented ceramic data needs of engineers designing for

gas-fired applications. None of these databases, nor any

combination of them, could fulfill, even minimally, the

requirements for critical design data.

Several factors were found to be inhibiting the effective

use of information and data for ceramics in gas-fired

applications. On one hand, the lack of existing

compilations is a primary barrier, along with a lack of

standards for materials specification and for property

testing. There are also many thorny technical issues in

computer software engineering, data system architecture,

data access, data precision, data reduction, and data

v
representation in generalized format remain 179 to be

solved.

Technical

Approach

For the database to be useful, a user-friendly, step-by-step

guide for the data use is required. Many people tend to

underestimate the amount of effort and the degree of

technical sophistication required for a numerical database.

For example, a straight completion of all available data

with contradiction trends and fuzzy notation is equally

distressing to potential users. Therefore, heavy judgement

by experts in distillation of the vast technical data into a set of simple useful numbers would be most effective in

translating concepts to practice.

A strategy for establishing a computerized ceramics database

for the natural gas industry is recommended to ensure the

effective development of key technologies that can benefit

directly from the use of ceramic materials.

A comprehensive survey was conducted to identify the

material properties of potential importance in an advanced

ceramics database. Interviews with GRI contractors along

with reviews of existing project summaries and reports

provided the primary sources of information in this survey.

The materials of current interest for use in gas-fired heat

exchangers, recuperators, radiant tubes, and heat engines

were determined by review of the literature and interviews

with project leaders in the field.

Existing computerized, numerical databases were identified

by review of reports prepared by the Standard Reference Data

Program of NBS and other sources and by direct interviews

with individuals active in the field. When a database,

containing information important or relevant to the needs of

GRI, was identified, details were recorded.

Results of the survey of material properties and the survey

of existing databases were combined in a two dimensional

matrix of properties and databases. Analysis of this matrix

revealed that existing databases were inadequate to fulfill

the critical data needs for effective application of

advanced ceramics in gas -fired, high temperature

environments. Consequently, a review of existing numerical

database efforts was made to determine the requirements for

establishing a new database focused on GRI applications.

Contacts also were made with the ASTM committee E-49,

Computerization of Materials Property Data.

The feasibility and cost effectiveness of developing a database of critical ceramics properties for gas-fired

applications was assessed. Based on the potential impact

vi
Proj ect

Implications

and benefits, it is recommended that GRI undertake the

development of a user-friendly, factual database on ceramic

materials as a prototype. The success of such a database

concept requires a long-term commitment from both the

natural gas industry and the industrial user community which

it serves.

The development of a user-friendly, easily accessible

database for ceramic material properties will help to

facilitate the transfer of vital information to design

engineers working to develop advanced, gas -based

technologies. The feasibility and structure of such a database effort are proposed in this assessment, and are

defined relative to the needs of equipment designers working

on technologies based on natural gas. The international

status of database developments is described, and many of

the challenges for designing a gas-industry-specific

database are identified.

GRI has initiated the development of a database to function

as a repository for gas- industry-specific materials data

generated from the Center for Advanced Materials project as well as from related international and domestic research and

development programs. It is GRI ' s intent to provide the

initial support for establishing the structure and anatomy

of such a database, with the hope that once it is

successfully implemented, its existence will be sustained by

federal funding agencies pursuing the development of ceramic

technology as well as by its users.

GRI Project Manager

Matthew E. Schreiner

Material technology and Components

vii
ADVANCED CERAMICS:

A CRITICAL ASSESSMENT OF DATABASE NEEDS

TABLE OF CONTENTS

Research Summary . iv

Table of Contents viii

List of Tables and Figures. ix

I. Introduction

A. Overall Program Rationale 1 B . Obj ective 3

II . Technical Section

A. Specific Objectives ............................. 4

B . Work plan 5

C. Survey of Existing Databases 7

D. Summary of Properties 9

E. Advanced Gas Applications 10

1. Materials and Properties..... 10

2. Existing Database Coverage 10

F. Computer Science and Technology Issues. 11

G. Requirements for Establishing Advanced

Ceramics Databases 14

III . Maj or Achievements 19

IV. Major Technical Problems Encountered 20

V. Conclusions 20

VI . Recommendations 23

VII . References . 25

VIII. Tables and Figures............... 26

IX. Appendix 40

viii
ADVANCED CERAMICS:

A CRITICAL ASSESSMENT OF DATABASE NEEDS

LIST OF TABLES AND FIGURES

Table Description Page

1 . Factual Computerized Databases on Ceramics 26

2. Developing Japanese Ceramic Databases (excluding 27

glasses)

3. List of Properties Potentially Important ° 28

in a GRI Engineering Ceramics Database

4. Application, Materials and Required Data

a) Heat Exchangers/recuperators 31

b) Radiant Tubes for Indirect Heating 32

c) Prime Movers (internal combustion engines) 33

d) Fuel Cells 34

5. Operating Conditions 35

6. Critical Properties 36

7. Identified Databases Containing Critical Property Data 37

8. Steps to Create a Numeric Database 38

Figure Description Page

1. Interrelationships of Components of Scientific 39

Data Centers

ix
programs, engineering design programs, and control and monitoring routines

have been developed or refined substantially, greatly facilitating the wide

scope of their application. For example, pre- and post-manufacture

laboratory testing operations are being augmented by computer modeling

codes, such as finite element analysis of temperature and stress

distributions. The processes of designing and manufacturing products are

being facilitated by a range of software packages known as computer aided

design, manufacture, and engineering ( CAD/CAM/CAE ) . The sequential steps

in materials processing are increasingly monitored in real time by

microsensors, and the properties and performance characteristics of

finished materials are beginning to be amenable to prediction by computer

modeling. Critical to such applications is the availability of accurate,

reliable, and complete sets of materials data.

Computerized engineering databases, in general, are not highlydeveloped and, in particular, are severely lacking in development for

advanced materials. Consider the use of advanced ceramics. These

materials are well known for their high temperature thermal

characteristics, high corrosion resistance to severe environments, and high

temperature service capability. These properties make advanced ceramics

highly desirable for applications in gas-fired, high- temperature

environments. However, specific data often are difficult to access because

the field is experiencing a rapid growth in processing technology. This

rapid growth has resulted in the development of new materials whose

characteristics are either not known to design engineers or have not been

evaluated for their suitability in specific applications.

The present rate of progress and the diversity of technological

activities pertaining to the development and the performance of ceramics is

generating a wealth of data and technical information. This information,

however, suffers from a lack of review, condensation, and communication to

the design engineers who are responsible for product development. Without

review to eliminate spurious data and without effective communication, the

value of such data is severely limited. Computerization of selected data

on structural advanced ceramics could accomplish the highly effective and

2
rapid technology transfer needed to enable the gas industry to utilize the

advances in ceramics research in a timely manner. Further, other advances

such as in expert systems, may achieve not only a more effective access to

critical data, but also a more effective utilization of that data through

intelligent processing of both the materials property data and the

constraints of the intended application.

Currently, the primary key to the opportunities offered by

computerized technical information is the development of new materials

property database systems. Such development will permit a wider, more

efficient access to critical data, and hence a more rapid incorporation of

these data in product design. Further, the computerization of the data

will result in an increase in the quality and reliability of- the data

because consistency, correlation, and validation tests will be more readily

applied to the data. This increased reliability will result in similarly

increased reliability in designs and end-products. More importantly,

advances in materials research will be more rapidly and effectively

translated into advances in applications.

B. OBJECTIVE

The goal of this project is to determine the effectiveness of using

computerized materials property databases in the development of advanced

applications of structural ceramics to improve the utilization of natural

gas. Several objectives, as enumerated here, are required to achieve that

goal.

1. Determine the data needs for developing advanced applications of

structural ceramics in gas-fired, high temperature environments.

2. Assess the impact of computerized access to the full spectrum of

materials property and design data.

3. Review the current status of computerized materials properties

databases

.

3
4. Investigate the potential advances and advantages that could

result from the development of materials selector database codes

and other applications of forefront artificial intelligence and

expert systems technology.

5. Recommend a plan for developing and implementing computerized

database activities to promote advances in the application of

structural ceramics in gas-fired, high temperature environments.

II. TECHNICAL SECTION

A. SPECIFIC OBJECTIVES

The specific tasks to be completed as part of the database assessment

study were:

o A survey of applicable materials properties database

activities in the U. S. and abroad;

o A definition of the scope required of a GRI advanced

ceramics database;

o A comparison of the ceramic property data needed to

facilitate systems design for gas-fired applications with

what is available in existing, publicly available

computerized databases;

o An examination of the computer science and technology issues

related to establishing a user-friendly advanced ceramics

properties database;

o A review of advances in artificial intelligence and expert

systems analysis to determine the feasibility of applying

this technology to advance materials databases; and

o A survey of the operational characteristics of existing data

activities to project the general system and facility

requirements that might be expected and to estimate costs.

4
B. WORK PLAN

1 . Materials Database Survey

A survey of existing databases was conducted using resources of the

National Bureau of Standards' Standard Reference Data Program, interviews

with users of engineering property data on advanced ceramics, and published

summaries of existing databases. The survey covered activities through

1986 and included both domestic and international databases.

A compilation of relevant databases was prepared using appropriate

selection criteria. Only those databases known to contain factual

information (numeric values and related metadata) were included.

Restriction was made to technical databases containing numerical property

values for chemical, physical, or materials science attributes. Additional

selection criteria included documentation, public availability, computer

accessibility, and property values relevant to advanced ceramic

applications in gas-fired systems. The resulting list is given in Table 1.

Engineering databases on in-service performance, while desirable, had

extremely limited availability and could not be included.

2 . Definition of the Scope of Applications

The potential scope of a GRI advanced ceramics property database was

assessed through extensive interactions with GRI contractors, discussions

with GRI managers , and examination of the current focus of GRI research and

development activities. Information gained by these efforts allowed the

material properties critical to the use and performance of advanced

materials in applications of interest to GRI to be identified. A

comprehensive list of operating conditions, materials, design considera5
tions, materials properties, and performance characteristics was compiled

(Table 3)

3 . Analysis of Critical Data and Key Design Property Requirements

The list of key design data, determined in item 2, for heat exchanger,

recuperator, radiant tube, and prime mover gas -fired applications was

compared to the database compilation, prepared in item 1. This comparison

allowed the identification of databases containing useful data applicable

to a specific gas utilization materials problem. More importantly, this

analysis identified critical data requirements that were not satisfied by

current computerized databases.

4 . Computer Science and Technological Issues

The computer science issues in establishing a numerical database were

examined by review of current literature, a series of special reports,

participation in ASTM Committee E49 on Computerization of Materials

Property Data, and through discussions with experts currently involved with

either database management and/or networking of multiple databases. The

NBS Standard Reference Data Program was of exceptional value in this task

and provided extensive input based on its activities over the past ten

years

5 . Expert Systems Technology

The potential for using expert systems technology in conjunction with

numeric databases to enhance the utilization of the information via

intelligent processing of the data was investigated by reviews of current

technical computer literature and through discussions with computer

scientists actively pursuing developments in expert systems.

6
6 . Survey of Related Data Activities

The majority of publicly available, numerical materials science Data

Centers were found to be at NBS . Therefore, the NBS databases were

selected for a detailed examination of their structure, data flow, current

and anticipated dissemination methods, and sources and size of their

resources. This study was used to develop a set of recommendations on the

technical structure, staffing, facilities, and operational costs for a computerized database system focused on the critical data requirements in

gas-fired applications.

C. SURVEY OF EXISTING DATABASES

The number of factual databases (containing numbers, units, and other

metadata*) that are publicly accessible, documented, and used is growing

each year, primarily due to the reduction of computer related barriers

(e.g., cost and complexity) and to the rapidly growing use of computers in

materials science and engineering. The Standard Reference Data Program at

NBS maintains a compendium of the characteristics and status of scientific

and technical factual databases for physics, chemistry, and materials. 1 In

addition to examining that summary, other sources examined included the

report of the Commission on European Communities Workshop on Factual

Materials Data Banks 2

, the proceedings of the Fairfield Glade workshop on

Computerized Materials Data Systems 3 and CODATA publications such as Nonbibliographic Data Banks in Science and Technology4

. During the course

of the study, former and current GRI contractors were interviewed to

ascertain their awareness of materials property databases. No publicly

accessible ceramic properties database was identified during these

* The generic term to cover all descriptive, cross-reference, or indexed

forms of data needed to identify and define a specific set of data values

in a computerized database is "metadata". For example, processing

method, manufacture's lot number, and percent theoretical density would

be metadata in a file on flexure strength.

7
interviews. A few in-house databases were cited, but these databases were

limited in scope and accessibility due to proprietary restrictions.

A total of 158 databases containing factual information on chemistry,

physics, and materials properties were identified, a number experiencing a continuing growth rate. An example of a recently developed system is the

MetSel2 set of data disks derived from the compilation Metals Handbook5

. Of the 158 identified databases, only six publicly available, documented

(mature) computerized databases had a significant focus on ceramic

materials. Three developing database efforts, which are planned to contain

a significant number of entries on property data on ceramics, were also

identified. One that is funded by a federal-society-industry consortia, A

Computerized Tribology Information System (ACTIS) 6

, is expected to have the

greatest overlap with GRI data needs. These nine mature and developing

databases, which contain property data pertinent to design and research

interests on ceramics in gas-fired environments, are listed in Table 1.

Brief summaries of the six mature databases, extracted from reference 1, an

NBS survey of factual databases, are given in Appendix I. Information on

the producer of the data and the properties and materials are referenced in

the database. Careful examination of this information has indicated that

while the producers often included a wide range of materials and properties

in the summary, actual computerized database contents are often far less

extensive. For example, CINDAS has a computerized and publicly available

bibliographic and key word file, but their property data are not available

via computer systems.

Database developments abroad were also explored, with particular

attention given to activities in Japan. The current understanding is that

the Japanese data efforts are not intended to be internationally available.

The identified efforts, excluding databases on glasses, are listed in Table

2. While generic definition of content and scope are known, definitive

descriptions of content were not made available. It is probable that these

Japanese database efforts are in the planning and implementation stage at

this time. Their effort is intended to eliminate duplicate efforts by each

8
company and to provide ceramic producers in Japan with a competitive

advantage in the international advanced materials marketplace.

D. SUMMARY OF PROPERTIES

A summary of properties of potential importance in an advanced

ceramics engineering database is given in Table 3. This table incorporated

input from GRI contractors, experts at PSU and NBS , property data

compilations, and GRI reports. Eight important general categories of data

were identified, depending on the intended application and operating

environment. These categories are (1) materials specification, (2)

processing characterization, (3) structural and microstructural

characterization, (4) intrinsic properties, (5) dislocation and vacancydependent intrinsic properties, (6) microstructural dependent properties,

(7) performance properties, and (8) failure characterization. Each of the

categories in Table 3 are expanded into specific properties or qualifiers.

Table 3 may be considered a first order prescription for a GRI factual

database on advanced ceramics for gas-fired applications. For example,

suppose a new valve for a gas -fired reciprocating engine is to be developed

using a ceramic material. The material specification information would be

used first to classify the candidate materials. The processing information

would be examined closely since both mechanical and tribological

performance characteristics may be dependent on the processing history.

Detailed chemical composition and microstructural information would be

required since durability and wear modes encountered in the operation of

the valve may depend on the grain size distribution, the chemically active

impurities, or the grain boundary characteristics. Elastic and plastic

properties, yield strengths, thermal expansion coefficients, thermal

conductivity, diffusivity, and shock resistance would be essential to the

theoretical design of the component. The fracture modes, hardness, creep

characteristics, wear properties for the desired speed, load, and

temperatures, and the oxidation and corrosion effects in the presence of

9
gas combustion products would be essential in optimizing the lifetime of

the valve

E. ADVANCED GAS APPLICATIONS

1. Materials and Properties Four applications areas were identified

in which the use of advanced ceramics could increase the effective

utilization of natural gas. These four areas included heat exchangers and

recuperators, radiant tube heaters, prime movers, and fuel cells. The

material characteristics and operating conditions for these applications

were ascertained through an examination of the current literature, GRI

reports, and discussions with technical experts who are active designers or

users in these areas. A summary of the information obtained in this effort

was prepared, as listed in Tables 4a, b, c, and d. These tables consider

candidate materials, processing methods and other required characterization

information, typical operating conditions, and key design properties

encountered in these applications. Table 5 has been constructed to provide

a better view of the range of conditions to which gas-fueled equipment may

be exposed. The data in Table 5 indicate a wide range of temperatures,

candidate materials, and environmental and operating conditions for gasfueled applications. This matrix can be expanded further as in Table 6 to

identify the critical materials properties needed in a focused GRI ceramics

database

2. Existing Database Coverage The background survey of existing

databases summarized in Table 1 was examined to determine the utility of

the available systems with respect to the gas applications analyzed in

Tables 5 and 6. A further analysis of these data was focused on specific

components which were deemed critical to reliable design and durable longterm application. Table 7 summarizes this matching of need and

availability. Clearly shown in Table 7 is the consistent lack of the

required design data in publicly accessible systems. The most

comprehensive single source of data, available through CINDAS, addresses

only thermodynamic properties and requires manual searching. The Phase

10
Diagrams for Ceramists Center will have comprehensive phase information

available in computerized form in the near future. ACTIS, a new database

effort in an early development stage, is intended to provide tribological

data in computer accessible form, much of which will be of value to gasfired prime mover applications . 6 The ACTIS database is intended to provide

evaluated data in a form directly usable by the design community.

It may be concluded that, for the greater percentage of gas

applications, little data on ceramic materials is readily available in

manually accessible data collections, which could be converted to

computerized form. The engineering properties of the more widely used

metal alloys, particularly steels, however, have been available in manual

form for some time and are now undergoing compilation and inclusion in

computerized databases under the sponsorship of the American Society of

Metals. The National Association of Corrosion Engineers is preparing a similar service for corrosion properties of metals.

F. COMPUTER SCIENCE AND TECHNOLOGY ISSUES

The representation and management of data on a computer generally is

accomplished through a database management system (DBMS) . Advanced DBMS

software may be considered as providing a programming language within which

a specific database may be constructed. The details of the specific

database are determined by the nature of the data and the requirements of

the user. It is essential, for example, that the user's options be

determined prior to the design of the complete database structure. Coding

for such options may involve using the DBMS language to provide the

database user with the capability of searching the database to locate data

meeting specified conditions, to retrieve restricted values of selected

variables, to obtain tabulations of values or graphical representations, or

to conduct statistical analyses or regression calculations. Further, how

these options are presented to the user is of great practical importance.

Menu and query formats in which the user makes selections from a list of

possible choices, for example, are generally found to be superior to

command formats in which the user must issue instructions to the system.

11
The hardware associated with the computer system, i.e. monitors, printers,

and plotters, also affects the design and structure of the database

program. Displays utilizing color significantly enhance the representation

and understanding of the data. Color monitors, in particular, can

facilitate the user's interaction with the database program.

The prescription for the database structure, in terms of the nature of

the data, the software, and the hardware, must be followed by the actual

development of the code, the entry of the data, and careful and intensive

field testing of the system. It is highly advisable that prototype codes

be developed and tested using a representative collection of data prior to

synthesizing the final system.

The primary means used to disseminate factual databases include (1)

centralized on-line systems, such as the widely used interactive

bibliographic services, (2) packages for personal computers, and (3) the . developing gateway computer concept.

The on-line approach is used when large amounts of information are to

be stored and will be accessed frequently by a large number of users.

Chemical Abstracts, available through several vendors, is a good example of

broad use and large data volume typical of on-line systems. Generally, the

on-line database vendors restrict the database contents to textual material

such as encountered in bibliographic and abstract searches. However,

several vendors are now beginning to offer factual databases. The Canada

Institute for Scientific and Technical Information offers on-line

numerical, as well as textual, search capabilities for scientific numerical

databases. This system supports four crystallographic databases, the

Facility for the Analysis of Chemical Thermodynamics (F*A*C*T) , and an

infrared spectra database. The Scientific & Technical Information Network,

STN International, has announced on-line availability of its first numeric

file, DIPPR, a physical property database (primarily thermochemical) on

chemicals

12
Use of PCs such as IBM-compatible XT and AT computers, for materials

property database dissemination has recently gained momentum. The NBS - National Association of Corrosion Engineers Data Center has begun to offer

computerized databases of corrosion properties of metals for use on PCs.

For larger, more established databases, the storage capacity of the 5- inch

floppy diskette (1.2 megabytes) has limited database dissemination via PCs.

However, introduction of the 550 megabyte compact disk - read only memory

(CD-ROM) storage medium permits suppliers of large databases to consider

the PC dissemination option. The International Center for Diffraction

Data, distributor of the most widely used numerical database, the Powder

Diffraction File, announced in August, 1987, that its database would soon

be available on CD-ROM for use with IBM compatible or VAX computers

equipped with CD-ROM readers. Examination of a prototype version indicated

that the 130 megabyte database can be searched using both textual and

numeric range descriptors. The CD-ROM drive is available for less than

$1000, and the CD-ROM master was produced for less than $3000. Numerous

publishers, such as Oxford Press, have also announced computer searchable

products based on CD-ROM technology, such as the King James Bible,

encyclopedias, and unabridged dictionaries.

The gateway concept is an advanced dissemination method that is

dependent on the existence of both databases and computer communications

networks. The concept assumes that desirable databases may be as widely

distributed, geographically, as are the users of the databases. Linking

the users and the databases is a single host computer facility, which may

also contain some of the desired databases. The essential feature of the

gateway system is that the user interacts only with the host. While each

database may be developed with its own language, rules, and protocols, the

user needs to learn only one set of commands pertaining to the host

facility. The host computer translates requests and replies into the

appropriate languages. In an advanced version of the concept, the host

computer uses an expert system to determine which one or more databases in

the world-wide distributed network should be accessed to answer the user's

query. The gateway concept thus has the advantage of optimizing the use of

databases that individually fulfill the requirements of the user only

13
partially. The disadvantage of the gateway method is the lack of control

over the quality and reliability of the data, the methods of construction

of the individual databases, the scope of the contents, and the maintenance

intervals for updating the contents. The Materials Property Data Network,

Inc. 7 has been established to implement this concept.

G. REQUIREMENTS FOR ESTABLISHING ADVANCED CERAMICS DATABASES

There are six critical factors that must be considered in the

establishment of a computerized database of any nature. These six factors

occur in an approximately hierarchial arrangement, as follows:

1. Authority

2 o Funding

3. Personnel

4. Software

5. Facilities

6 . Data

Within this hierarchy, items lower in the list must be given due

consideration before items higher in the list can be properly addressed.

Thus, the first consideration is to determine whether or not there is a need to have a database, which is the primary question addressed by the

preceding sections of the present report. Given a need for a database, no

progress towards computerization can be made without appropriate computer

facilities. Likewise, software is necessary to operate the computer in a database format, and personnel who understand the data are required to

apply the software to the computerization of the data in an intelligent

manner. When these factors have been satisfied, a cost/benefit analysis

can be conducted. The latter analysis would undoubtedly be utilized along

with the programmatic justification that would be examined in determining

the administrative authority to proceed with the implementation of the

database plan.

The hierarchial list appears in a linear ordering, but it is not

difficult to perceive that considerations at any level may be related or

14
linked to considerations at other levels, either lower or higher. A

schematic representation of one concept of a scientific data center8 is

shown in Figure 1, which illustrates some of the interactions. This figure

emphasizes the importance of both the nature of the data and the needs of

the user in determining the structure of the database. The software for

the database, for example, must be capable of processing all the types of

factual data to be included in the database, as well as being capable of

analyzing and displaying or reporting information from the database in a manner that fulfills the requirements of the user.

There are many aspects to be examined for each of the hierarchial

factors. The most involved considerations pertain to the lowest item in

the hierarchy, data. Indeed, factual database management in science and

engineering is highly complex, not because of the computer hardware or

software, but because of the complexity of the scientific and technical

data and the specialized analytical requirements of the scientist or

engineer. Understanding and preparation for the development of a computerized database begins with an analysis of data-related issues, as is

done in the present assessment. The full scope of the data of interest

must be determined with an identification of variables and conditions. The

classification of data in this early development stage may significantly

influence the details of the design of the database structure. For

example, the classification results may indicate that several separately

addressable numeric database components might be advantageous compared to

using a single, large-scale matrix of values. Careful consideration must

be given to how the data will be acquired, both initially and later during

the long-term operation of the system. Passive techniques, such as obtaining data as it appears in the literature, must be compared to active

approaches in which experiments are deliberately designed to provide

specific results for the database. The selection of the technique must be

balanced against the need for controls on the data quality and the need to

minimize costs. The collection of data must be followed by a careful

evaluation of the data. This task involves several concerns such as: what

criteria will be used to assess the data; who will appraise the data; and

in what manner will confidence in the data be indicated in the database?

15
The latter question leads directly to the next concern, the representation

of the data in the database.

The recommended procedure to be followed in establishing the details

of the data component of the database system are well known9

. The basic

steps are outlined in Table 8. In computer science, the word "field" which

appears in Table 8 is used to represent any variable, parameter, or piece

of information that will be entered into and/or retrieved from the

database. Each such quantity has a name, such as "Ta

"

, and a technical

definition, such as "ambient temperature".

Once the complete list of anticipated fields is prepared, the DBMS

language must be used to specify the technical characteristics of each

field. For example, Ta might be specified as a numeric field of width 6,

with 2 decimal places, to be expressed in degrees Celsius, with a default

value of 25 °C. This definition of Ta would permit a range of values to be

entered for the ambient temperature, -99.99 °C < Ta < 999.99 °C, but the

default value, Ta = 25.00 °C, would be assumed unless the value of Ta were

deliberately changed.

Fields would also be defined for metadata. Any descriptive

information that is needed to specify how a number was determined may be

considered as metadata. For example, the toughness of a ceramic material

may depend on whether a micro- indentation test was used for the measurement

or whether a macro-scale bending test was used. Thus, "METHOD" might be

the name of a field containing metadata. Information gained in the present

study and from other database system efforts suggests that, at a minimum,

the metadata must include test methods, test conditions, and notes on data

analysis procedures for each property value. Other metadata that should be

included are material identification fields, units for each numerical

value, data quality assessments, and specimen characterization.

During the process of entering the data into the database, "validity

checks" and "error trapping" routines are necessary to ensure that all

entries adhere to the defined rules and ranges of values. Provisions for

16
"cross field validation" rules are important whenever possible to ensure

the consistency and quality of the data.

After defining the fields in the database according to Table 8,

attention must be given to the details of the data retrieval options.

Advanced DBMS software packages that are available commercially contain

standard provisions for searching, displaying, graphing, and printing. To

tailor these operations or to extend them, additional code development is

required. Such specialized retrieval options are highly desirable for

scientific and engineering applications and would enhance the capability of

a ceramics materials property database to be utilized in gas-fueled

applications

.

As soon as the prototype system can be used, field testing of the code

must be pursued in a thorough and systematic manner. It is advisable to

have both novices and knowledgeable people attempt to use the prototype

system. During this test phase, the code developers must carefully observe

what operations present difficulties and what features are most useful.

Revision of the code must then be based on the analysis of the results of

this testing. In general, two or three iterations of revisions of the

features of the system should be anticipated since it is the end user to

whom the system is to be suited.

I

The refined prototype forms the basis for the full scale system. If

separately addressable database elements are used in the system, field

definitions need to be changed to accommodate the individual elements. The

overall features and options of the prototype would not be affected by

these adaptations. The completed full scale system must be subjected to a final thorough field testing.

The final step in the establishment of a database is the dissemination

of the database to the intended users. There are several possible options

available to achieve the goal of disseminating a database on materials

properties for use in developing or improving gas- fired applications of

17
ceramics. The choices include printed books, on-line services, PC

packages, gateway networks, or any combination of these options.

The preparation of material for printed books from a database is

widely used by many data centers. The quality of the printed output

depends to a great extent on the facilities and support available.

Possibilities range from sophisticated computerized typesetting directly

from the database, to use of high quality desktop publishing, or simply to

printing formatted tables of values on dot matrix printers.

The on-line services method is used for business applications (e.g.,

DIALOG or COMPUSERVE) or for bibliographic data sets (e.g., ChemAbstracts)

However, factual databases for scientific and technical data have recently

begun to be available. The American Chemical Society and STN International

have announced their first property database which provides thermochemical

data for many industrial compounds. On-line services, though, tend to be

rather expensive. Commercial business services charge from one to five

dollars per minute of connection time. Since data transmission rates are

relatively slow, the cost of conducting a single complex data retrieval

could easily exceed the total cost of other options. The initial cost of

loading a database into the on-line system is often very expensive and is

usually absorbed by the sponsoring organization. Further, the time to

complete the necessary arrangements with the host organization and to load

the database into the host system is frequently as long as two years from

the time the database exists. Consequently, on-line dissemination using a large commercial system may not be appropriate for a database aimed at

rapid dissemination to the initial user community. The alternative of

using a personal computer as the host system is a possibility worthy of

consideration also. The PC host system would have the disadvantage of

being accessible to a small number of people at any one time, usually only

one. The hardware and maintenance costs of such a system would not be

excessive for a small set of users, but user-related disadvantages might

inhibit the effectiveness of this dissemination method. Users would be

required to have additional hardware, a modem, and communications software,

18
and would be required to learn their idiosyncracies before attempting to

connect to the database.

The most preferable option is to supply the database and associated

software in a package that could be used directly on the user's PC. This

option presents the user with the greatest latitude in using the system,

and encourages the user to experiment or explore applications of the

system. A potential disadvantage to this dissemination method is the

requirement that the user's PC be compatible with the database software.

Given the wide proliferation of compatible personal computers, a PC-based

database should not encounter significant difficulties. Further, PC

technology has advanced far more rapidly than mainframe technology, to the

extent that more sophisticated, user-friendly programming can be done with

a PC-based system than would generally be found with on-line services.

Implementation of a PC-based system will require establishing the optimum

frequency for updating and for providing an effective update dissemination

mechanism.

Finally, even for the most carefully produced database, provisions

should be made for user assistance. This assistance may take the form of a user's assistance manual and/or an individual or office that could be

contacted by telephone. The commitment in staff for this assistance

initially would be rather small, but the amount of staff hours would grow

if the number of users increases.

III. MAJOR ACHIEVEMENTS

A comprehensive survey identified 158 factual databases and available

publicly currently in operation Only six of these databases provided any

significant coverage of ceramic mateials properties. However, none of

these databases, nor any combination of them, could fulfill the

requirements for critical design data needed in advanced gas-fired

applications of ceramic materials. Several factors were found to be

inhibiting the establishment of a factual database for ceramics in gas19
fired applications. The lack of existing compilations was a primary

barrier, along with a lack of standards for materials specification and for

property testing. Limited experience in building numerical databases

inhibited many researchers from attempting to do so. In some cases, the

lack of a clear definition of the specific needs for data prevented the

needs from being fulfilled. All of these inhibiting factors could be

overcome. The consequences for not aggressively pursuing the development

of a factual database on ceramics, focused on gas-fired applications, were

estimated to be contrary to the goal of improved utilization of natural

gas. Technology transfer from parallel or related research would be

significantly reduced. Advances in the utilization of ceramics would

greatly lag behind the cooperative ventures of foreign competition. The

prospects for achieving a ceramics database and thereby avoiding such

consequences were found to be both feasible and desirable. A plan towards

establishing a computerized ceramics database for the natural gas industry

was developed to ensure the availability of critical data.

IV. MAJOR TECHNICAL PROBLEMS ENCOUNTERED

No major problems were encountered.

V. CONCLUSIONS

Dissemination of a ceramic property database can be an effective

opportunity for technology transfer of the results of GRI sponsored

materials testing and research activities. A computerized database on

ceramic materials is capable of enabling more rapid utilization of new

research results; faster, more efficient access to critical data, more

consistent treatment of data; greater quality control and product

reliability; and improved continuity of research and development programs.

These benefits would begin to accrue during the development stages of the

20
database. For example, the process of collecting data for inclusion in the

database would increase communication between researchers, provide

standardization of data reporting, and, thus, enhance technology transfer

from research to application.

In particular, a numeric database for materials selection and design

consideration is needed to develop improved or innovative applications of

advanced materials for gas-fired, high temperature environments. No

existing database or combination of existing databases meets the identified

needs of advanced materials suppliers, equipment manufacturers, and

industrial end users for a database focused directly on ceramic materials

selection and critical property data. Such a database would require data

that reflect the effect of the application environment on a material's

performance. Hence, data from tests performed in actual or simulated

environments should be emphasized. Further, emphasis should be given to

property values of carefully identified and characterized materials, due to

the strong dependence of properties on characteristics of the starting

powders and processing parameters.

A sustained long term effort in database design, data retrieval,

evaluation, and dissemination will be required to establish a materials

property database focused on ceramic materials for use in gas-fired, high

temperature applications. In addition to the mechanistic factors, several

organizational requirements critical to the successful development and

implementation of the database must be satisfied. These requirements

include

:

o The availability of technical expertise in computerized data

compilation and retrieval,

o Ongoing detailed interactions with other materials database

systems

,

o Continual assessment of user and programmatic needs, and

o Maintenance of current research and engineering data through

21
active involvement in the materials science and engineering

applications

Based on the past and current level of GRI-sponsored efforts on

tubular components for heat exchangers and recuperators in aluminum remelt

applications, the first database effort would do well to focus on the key

design and performance properties for this application. Other appropriate

applications areas with sufficient needs for a ceramic property database

include related heat exchanger/recuperator applications and structural

ceramics intended for use in gas-fired prime movers.

22
VI. RECOMMENDATIONS

A state-of-the-art, numerical database of ceramic material property

data useful to both the design engineer and the research scientist should

be established. The numerical database should permit the design engineer

to use it as an aid in materials selection and as a resource for qualifing

property data for design purposes. Associated with the numerical database

could be an additional database on GRI materials research in progress, and

possibly another on materials availability. The database should be

designed to permit transfer of data to design codes. With further

developments in the knowledge base on structural ceramics, an expert system

could be developed that would provide useful guides to the design engineer

who is unfamiliar with the differences in the design requirements of

ceramics and metals.

The scope of the ceramics property database should include as a starting point the properties and materials identified in this study

through interviews with potential design engineers. The recommended

approach is to focus on selected gas-fired application with the associated

key materials and properties. Property data for materials selection and

design consideration of heat exchangers, recuperators, radiant heaters and

prime movers will facilitate introduction of improved or novel new gas

fired systems with improved efficiency. As the development of ceramic

materials for structural applications is an on-going effort, the scope must

expand with time to include new materials.

The numerical database structure should be carefully planned and

professionally designed to facilitate the user's access to and utilization

of the data. The complexity of database design due to the need for unique

identification of ceramic materials should follow the guidelines being

established by national and international bodies such as ASTM. Integral to

achieving this goal, a prototype system should be developed and field

tested by novices and expert design engineers who are responsible for

systems development. Redesign based on field testing will lead to a highly

23
effective, efficient mode for technology transfer for GRI ' s sponsored

research efforts. The envisioned materials property database management

system should be constructed for use on PCs in order to achieve the

greatest impact in a cost effective manner.

To accelerate technology transfer of GRI sponsored testing and

research efforts a timely data report mechanism (i.e. computerized data

report forms) should be developed collaboratively by the GRI program

managers, experts in property measurement and those expert in database

management. The ability to efficiently transfer the data into the database

will reduce the time between property measurement and availability to the

design engineer. Another benefit of a computer oriented data report

mechanism is that the cost of supporting the data collection, abstraction,

entry, and validation will be considerably reduced.

24
VII. REFERENCES

1. J. Rumble, Jr., J. Sauerwein, S. Pennell, "Scientific and Technical

Factual Databases for Energy Research and Development," DOE/TC/40017-

I, 1986.

2. H. Krockel, K. Reynard, G. Steven, "Factual Materials Data Banks,"

Commission of the European Communities Workshop - JRC Petten, 14-16

November 1984.

3. Computerized Materials Data Systems : "The Proceedings of a Workshop

Devoted to Discussion of Problems Confronting Their Development,"

J. H. Westbrook and J. R. Rumble, Jr., editors, Steering Committee of

the Computerized Materials Data Workshop, 1983.

4. Nonbibliographic Data Banks in Science and Technology . S. Schwarz,

D. G. Watson, and 0. Alvfeldt, editors; ICSU Press, Paris, France,

1985.

5. Materials Handbook . G. S. Brady and H. R. Clauses, Editors, 12th

Edition, McGraw Hill Book Company, 1986.

6. S, Danyluk, and S. M. Hsu, "A Computerized Tribology Information

System" , Proceedings of the 1987 ASME International Computers in

Engineering Conference and Exhibition, ASME, New York, NY (1987).

7. J. G. Kaufman, "National Materials Property Data Network", ASTM

Standization News, Feb. 1986, p. 28.

8. F. J. Smith, in Database Management in Science and Technology . J. R. Rumble, Jr. and V. E. Hample (Eds.), North-Holland, Amsterdam,

1984, p. 94.

9. Database Management in Science and Technology . J. R. Rumble, Jr. and

V. E. Hample (Eds.), North-Holland, Amsterdam, 1984.

25
VIII. TABLES AND FIGURES

TABLE 1

FACTUAL COMPUTERIZED DATABASES ON CERAMICS

MATURE

Wear Data (Pure Carbon Co.)

CINDAS (Purdue)

Ferroelectric Ceramic Base (Sandia)

Materials Information Databank (Sandia)

Thermal Property Bank (LLNL)

JANAF Thermochemical Tables (NBS)

I

DEVELOPING

Phase Diagrams for Ceramists (NBS/ACerS/Industry)

Fracture Mechanics Databases for Glasses and Ceramics (NBS/Rutgers)

A Tribology Computerized Information System

(NBS/DOE/DOD/Industry)

26
TABLE 2

DEVELOPING JAPANESE CERAMIC DATABASES (excluding glasses)

Organization Database

Japan Fine Ceramic Center

Engineering Research Association

for High Performance Ceramics

Japan Information Center of

Science and Technology

Reference data for fine ceramics

Engineering data for high-performance

Si 3 NA and SiC

Inorganic crystal structure data

27
TABLE 3

LIST OF PROPERTIES POTENTIALLY IMPORTANT IN A GRI ENGINEERING CERAMICS DATABASE

MATERIAL SPECIFICATION:

common name

chemical formula

classification

source (manufacturer, laboratory)

manufacturer's code

manufacturer's lot#

date of production

PROCESSING CHARACTERIZATION

starting materials

chemistry

source

treatment

size distribution

process

binder

dopants

additives

method (hot press, HIP, cast, extruded, CVD, . ..)

thermal history

sintering

annealing

crystallization cycles

other

grinding

polishing

cleaning

STRUCTURAL AND MICROSTRUCTURAL CHARACTERIZATION

chemical analysis

grain size distribution

grain morphology

phase assemblages

grain boundary characteristics

chemistry

phase

size

morphology

porosity

density (actual)

density (theoretical)

28
TABLE 3 (cont)

LIST OF PROPERTIES POTENTIALLY IMPORTANT IN A GRI ENGINEERING CERAMIC DATABASE

INTRINSIC PROPERTIES- 1 (microstructure/processing independent)

crystal system/polymorph (Pearson symbol)

thermal expansion coefficient - f(T)

melting temperature

phase transformations at T

elastic moduli

Young's modulus

Shear modulus

Poisson's Ratio

INTRINSIC PROPERTIES-2 (possibly dislocations and vacancy

dependent)

thermal conductivity

heat capacity

PROPERTIES AND CHARACTERISTICS (micros true tural dependent)

thermal

diffusivity

shock resistivity (R' & R''')

emissivity as f(T)

optical properties

absorptance , transmittance

color

electrical properties

conductivity

resistivity

ionic mobility

dielectric constant - f(T, Hz)

dielectric strength (high voltage holdoff, etc)

29
TABLE 3 (cont)

LIST OF PROPERTIES POTENTIALLY IMPORTANT IN A GRI ENGINEERING CERAMICS DATABASE

mechanical properties

strength -mean and range as f(T)

-tensile, flexure, compressive

-test method

-loading rates

Weibull modulus

fracture toughness

- "R" curve

- KIc , gamma, n

- test method

- environment

- function of flaw size

creep

creep rupture

fatigue (high and low cycle fatigue as f(T) and test configuration)

PERFORMANCE PROPERTIES

hardness

wear resistance - function of speed, load, temperature, and environment,

coefficient of friction

corrosion effects

oxidation effects - f(T)

FAILURE CHARACTERIZATION

fracture origin

corrosion products, rates

30
Table 4a

APPLICATION, MATERIALS AND REQUIRED DATA

APPLICATION: Heat exchangers/recuperators

MATERIAL:

SiC - siliconized

SiC - alpha, sintered, water based

SiC - alpha, sintered, plastic based

SiC - alpha, sintered,

SiC - nitride bonded

SiC - reaction bonded

Ceratherm

SioN, - SiC refrax

Si3 N,

CONDITIONS:

1000 to 1400°C - flue gas temp

particulate laden

corrosive flue gas (Al remelt with fluxing; forging

furnace; steel soaking)

PROCESSING DATA:

starting materials preparation

starting materials characterization

consolidation technique

thermal treatment

chemical analysis

MICROSTRUCTURAL CHARACTERIZATION:

density

porosity

grain size distribution

grain boundary chemistry, phases

phase assemblage

PROPERTY DATA REQUIRED:

Chemical stability and corrosion

flue gases, molten Al, fluxes,

Na and Cl contamination

Thermal expansion

Thermal conductivity

Thermal shock resistance

Strength - (tensile, compressive, C-ring tests; flexure)

Weibull modulus

31
Table 4b

APPLICATION, MATERIALS AND REQUIRED DATA

APPLICATION: Radiant Tubes for Indirect Heating

MATERIAL:

SiC - reaction bonded

SiC - alpha, sintered

SiC - nitride bonded

SiC - reaction sintered

SiC - CVD

Si3 NA - reaction bonded

composite - fibers of alumina

- matrix of alumina+silica

CONDITIONS:

1200°C - flue gas

PROCESSING DATA:

starting materials preparation

starting materials characterization

consolidation technique

thermal treatment

chemical analysis

machining

MICROSTRUCTURAL CHARACTERIZATION:

density

porosity

grain size distribution

grain boundary chemistry, phases

phase assemblage

PROPERTY DATA REQUIRED:

Chemical stability and corrosion

flue gases, molten Al , fluxes

Thermal expansion

Thermal conductivity

Thermal shock resistance

Strength - (tensile, compressive, C-ring, flexure)

Weibull modulus

32
Table 4c

APPLICATION, MATERIALS AND REQUIRED DATA

APPLICATION: Prime movers (internal combustion engines)

MATERIAL:

AIN (exhaust port insulation)

Al2 0 3 -Ti02 (exhaust port insulation)

Zr02 (cylinder liners, piston caps, etc.)

Si 3 N4 (insert components, turbocharger)

SiC (turbocharger)

SiC/TiB2 (guides)

CrC (rings)

Al2 03 -Ti02 (plating on rings)

CONDITIONS: 600°C (gas turbine)

PROCESSING DATA:

starting materials preparation

starting materials characterization

consolidation technique

thermal treatment

chemical analysis

machining

MICROSTRUCTURAL CHARACTERIZATION:

density

porosity

grain size distribution

grain boundary chemistry, phases

phase assemblage

PROPERTY DATA REQUIRED:

Chemical stability and corrosion

Thermal expansion

Thermal conductivity

Thermal shock resistance

Strength

Weibull modulus

Fracture toughness, KIC

Hardness

Coefficient of friction

Wear rate

33
Table 4d

APPLICATION, MATERIALS AND REQUIRED DATA

APPLICATION:

MATERIAL:

CONDITIONS:

Fuel Cells

La: _ x (Ca, Sr) x Mn03

1000 C

50 mA/cm2

PROCESSING DATA:

starting materials preparation

starting materials characterization

consolidation technique

thermal treatment

chemical analysis

PROPERTY DATA REQUIRED:

< Chemical stability

Thermal expansion

Strength

Electrical conductivity

Ionic mobility

Resistivity

Only a representative electrode material and property data required

are shown.

34
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03 03 b£) 44 bO b£> 03 03 44 0) b£) o 3m 03 P 03 03 C c X c 03 \ •rH 03 on •H d 3m 03 •H •rH O P o d 0) 03 4J 03 03 03 03 3m 03 O 03 44 5m 43 -rM 44 03 > 44 *H 43 03 43 43 a 03 rC 44 C o 03 Sm -M 03 43 rH CQ 3M d 03 d d •rH 03 X O 03 d 03 d •H X 03 03 03 H 33 H H H CQ w 04 > Q CQ H 03 Cm W > on eo

•H

44

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cl <

03

03 03

Sm

03W)p

03 43oXw

44

03

a) 23

>•>

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03

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in

co
CRITICAL

PROPERTIES

4-1

•rH Xcd X

on

cde

d> XH

cdE

54

0) XH

xcouXooX

on

cdE

5-1 0) X

C

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0)

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a)

x

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4->

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on cda

0)

a)

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0)

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a; co O X c c

CO

O

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d) ,—iu XG -

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C'- C»» C-«

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pH

X

CO

G o <uc

4-

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5-1 d)

d)X

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0) XGH

d) pQGH E X

<0 03 oo E X 03 54 c d)

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d) c X 0) 0)

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03 03 54 cOG \ X

cO oo 4-> oo oo CO d)

X CL -H

d) c 03 03 c CX 54X cO

G

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G 54 03 “H "H o dJ

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03 Cl

CO CL O <

03

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CO

w

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<V

X

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W

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d) d) E 5-1 d)

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03

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•r^ °rH o oo

d)

C

OS d)
IDENTIFIED

DATABASES

CONTAINING

CRITICAL

PROPERTY

DATA

pXcO 4J 00

-A P

CO

O E 3 u

<u xH cj

cj

ClH Q

IP( O

[pap

apap

CJ CJ Dp Dp

Cl

Q

CP( CP1

CO 00 < C c Q z Z

HH HH

CJ cj O- O*

cO

X E O P O

<U

X

X 00 H

cOE C P CO

<U P X x H CP

00 Vi < < Q a Z " z 1—1

HH

CJ CJ

e-- c** oX•r^pH

00IPH

CJ<1

onMH

CJ<I

00

IPH

CJ<( C/3 PHCJ<

a) co p

CO 3

a;

p

p

a

p 3

co as

CL

<u<up

cjXpXc

cupp

00co

»p

cooppo

cj E

<u p

CO

CO

CO P P <U

<U 3 X P T3 P CO 00 p »“H cO »-H c H CO CO cO Q)

n ea cu CO X p (X X X P X o c p 0) C CO CO c c CJ <u - •rH o 0) 00 •iH 3 p CO •rH *1—i

"0 3 p a a> *o a) <u p co o <u p p o c O

•H E X cO

X

X

a cO

X

p

C CJ co

X •rH P p o 3 <U 3 3 i-l <U X o CO 3 0) p '—I CO „ CJ CJ H X H H H CP as > a X 3 •1—1 H CJ X c

C0p

<u >s 01 P C co c c 4) 0 0) o CO > rH 3

iH

X P O CO •1—i p CJ CJ p tp CO

CO

X <u <u <u

p 3 <u CO

CO CJ CP E p s=

p c P CP c 0)

CO rH a; E 0) CO 0)

p •rH

X 3

CJ *-H

p

pp •iHp •rHpp CO

X •rH •1—1 a <0 CO CO •3 CO co P CO p CJ X a 0) t—1

<u cu co cu 3 0 CO 3 0) 3 < X < X ’ < X OS X X as U P as CU

~ACTIS =

future

coverage

byA

Computerized

Tribology

Information

System

~PDFC =

future

coverage

by

Phase

Diagrams

for

Ceramist

Data

Center

?CINDAS -

data

only

available

through

manual

search

^Thermodynamic

parameter

databases,

such

as

F*A*C*T,

could

be

used

if

all

reactants/products

are

represented

in

-calculation

of

equilibrium

and

;that

^equilibrium

conditions

are

expected.
TABLE 8

STEPS TO CREATE A NUMERIC DATABASE

1 . List Each Valid Field

A. Name

B: Technical Definition

2. Define Each Field

A. Data type (character, numeric, logical)

B. Single value, multi value or range

C. Units to be used

D. Default values

E. Validty checks

1) List of valid values

2) Range of valid values

3) Other (character type,

number representation)

3. Establish cross field validation rules

4. Specify which fields will be used for retrieval

5. Specify required and optional fields

6. Include essential metadata

A. Test methods

B. Test conditions

C. Data analysis procedures

D. Reliability

38
FIGURE 1. Interrelationships of Components of Scientific Data Centers
IX. APPENDIX

Appendix la

CHARACTERISTICS AND STATUS OF PUBLIC

FACTUAL DATABASES CONTAINING CERAMIC PROPERTIES

FULL NAME

Pure Carbon Wear Data

ACRONYM : PUREWEAR

PRODUCER

Pure Carbon Company

Pure Industries Division

441 Hall Avenue

St. Marys PA 15857 USA

CONTACT: Stanley Chinowsky PHONE: (914)

VENDOR:

Pure Carbon

GENERAL PROPERTIES:

wear; friction

SPECIFIC PROPERTIES:

coefficient of friction; wear ratio

GENERAL MATERIALS:

carbons; plastics; ceramics; metals

SPECIFIC MATERIALS:

KEYWORDS

friction coefficient; wear rate; self - lubricating

bearing; metals; lubrication engineering

ABSTRACT:

Friction and wear data obtained during 18 years

of testing were placed in a database. Two basic

files, one for radial bearing tests and one for

thrust bearing tests were set up. These files now

contain data from over 6,500 tests on over 400 bearing

materials. The data span loads from 0.06 to 26 MPa,

speeds from 0.0002 to 5.3 m/s & bearing body temperatures from 75 to 500 degrees C.

40
Appendix lb

CHARACTERISTICS AND STATUS OF PUBLIC

FACTUAL DATABASES CONTAINING CERAMIC PROPERTIES

FULL NAME

Ctr. for Information & Numerical Data Analysis & Synthesis

ACRONYM: CINDAS

PRODUCER

Ctr. for Info. & Numerical Data Analysis & Synthesis

(CINDAS)

Purdue University

West Lafayette IN 47906 USA

CONTACT: C. Y. Ho PHONE: (317) 494-6300

VENDOR:

CINDAS

GENERAL PROPERTIES:

magnetic; dielectric; thermophysical; thermoradiative ; electronic;

optical

SPECIFIC PROPERTIES:

viscosity; specific heat; Prantl number; thermal absorption;

thermal conductivity; energy bands

GENERAL MATERIALS:

metals; non-me tallies

SPECIFIC MATERIALS:

inorganic; organic; ferrous alloys; non-ferrous alloys; glasses;

ceramics; polymers; mixtures

KEYWORDS

:

magnetic; electrical; thermophysical; optical; electronic; metal

ABSTRACT:

CINDAS cover 36 thermophysical, thermoradiative electronic,

electrical, dielectric, optical and magnetic properties of all

technologically important materials.

41
Appendix Ic

CHARACTERISTICS AND STATUS OF PUBLIC

FACTUAL DATABASES CONTAINING CERAMIC PROPERTIES

FULL NAME

Ferroelectric Ceramic Base

ACRONYM: CERAMICS

PRODUCER

Sandia National Laboratory

Division 2532

P.0. Box 5800

Albuquerque, NM 87185

CONTACT: C. Gebert PHONE:

GENERAL PROPERTIES:

composition

SPECIFIC PROPERTIES:

GENERAL MATERIALS:

ceramics

SPECIFIC MATERIALS:

PZT ; PSZT

KEYWORDS

ceramics; ferroelectrics ; composition

ABSTRACT:

This database contains composition and testing results

with 100,000 records managed by INGRES on a VAX 750

computer

USA

(505) 844-0963

42
Appendix Id

CHARACTERISTICS AND STATUS OF PUBLIC

FACTUAL DATABASES CONTAINING CERAMIC PROPERTIES

FULL NAME

Materials Information Databank

ACRONYM: MCIS

PRODUCER

Sandia National Laboratory

Division 1811

P.O. Box 5800

Albuquerque NM 87185 USA

CONTACT: Keith E. Mead PHONE: (505) 844-2200

GENERAL PROPERTIES:

physical; mechanical; corrosion

SPECIFIC PROPERTIES:

GENERAL MATERIALS:

metals; plastics; polymers

SPECIFIC MATERIALS:

coatings; solders; foams; fluxes; alloys; glasses; ceramics

KEYWORDS

:

materials compatibility; metals; plastics; corrosion

ABSTRACT:

This database has data on the strength, corrosion and composition

properties of 1,500 materials in order to analyze compatibility.

43
Appendix Ie

CHARACTERISTICS AND STATUS OF PUBLIC

FACTUAL DATABASES CONTAINING CERAMIC PROPERTIES

FULL NAME

Thermal Property Bank

ACRONYM: Thermal

PRODUCER

Lawrence Livermore National Laboratory

Theoretical Physics Division

P.0. Box 808 L-71

Livermore CA 94550 USA

CONTACT: A. L. Edwards PHONE: (415) 422-4123

GENERAL PROPERTIES:

thermophysical; thermochemical

SPECIFIC PROPERTIES:

specific heat; density; thermal conductivity

GENERAL MATERIALS:

metals; plastics

SPECIFIC MATERIALS:

alloys; glasses; ceramics

KEYWORDS

thermophysical; specific heat; density

ABSTRACT:

This database contains thermal analysis data on approximately 1,000

materials

44
Appendix If

CHARACTERISTICS AND STATUS OF PUBLIC

FACTUAL DATABASES CONTAINING CERAMIC PROPERTIES

FULL NAME

JANAF Thermochemical Tables

ACRONYM : JANAF

PRODUCER

National Bureau of Standards

Office of Standard Reference Data

A323 Physics Bldg.

Gaithersburg MD 20899 USA

CONTACT: Joan Sauerwein PHONE: (301) 921-2228

GENERAL PROPERTIES:

thermochemical; thermophysical

SPECIFIC PROPERTIES:

enthalpy; heat capacity; entropy; Gibbs free energy;

phase equilibrium

GENERAL MATERIALS:

SPECIFIC MATERIALS:

inorganic

KEYWORDS

:

thermochemical; temperature - dependent ; inorganic

ABSTRACT:

The JANAF database contains temperature dependent

thermochemical data on inorganic compounds

.

45
FORM NBS-1 14A (REV 1 1-84)

U.S. DEPT. OF COMM. 1. PUBLICATION OR

REPORT NO.

2. Performing Organ. Report No. BIBLIOGRAPHIC DATA

SHEET (See in struction s) GRI-88/0074 NBSIR 88-3706

3. Publication D ate

May 1988

4. TITLE AND SUBTITLE

Advanced Ceramics: A Critical Assessment of Database Needs for the Natural Gas

Industry

5. AUTHOR(S)

C'. R. Hubbard, S. J. Dapkunas , R. G. Munro and S. M. Hsu

6. PERFORMING ORGANIZATION (If joint or other than NBS. see in struction s)

NATIONAL BUREAU OF STANDARDS

U.S. DEPARTMENT OF COMMERCE

GAITHERSBURG, MD 20899

7. Contract/Grant No. GRI-TPSU-NBS- 1302-3 79

8. Type of Report & Period Covered

Topical Report

June 1986 - May 1987

S. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State , ZIP)

Center for Advanced Materials

The Pennsylvania State University

410 Walker Building

University Park, PA 16802

10.

SUPPLEMENTARY NOTES

This work was performed under contract to Gas Research Institute, 8600 West Bryn Mawr

Avenue, Chicago, IL 60631, Matthew E. Schreiner, GRI Project Manager, contract

number 5084-23.

|

| Document describes a computer program; SF-185, FIPS Software Summary, is attached.

11.

ABSTRACT (A 200=word or less factual summary of most si gnificant information. If document includes a significant

bi bliography or literature survey, mention it here)

A comprehensive survey was conducted to identify the materials properties of

potential importance for inclusion in an advanced structural ceramics database. The

materials of current interest for use in gas-fired heat exchangers, recuperators,

radiant tubes and heat engines were determined. Existing computerized, numerical

databases were surveyed and those relevant to the materials and application of

interest were detailed. Analysis of the results revealed that existing databases

were inadequate to fulfill the critical data needs for effective applications of

advanced ceramics in gas-fired, high temperature applications. Requirements for

establishing a new database focussed on these materials and applications are

presented

12.

KEY WORDS (Six to twelve entries ; alphabetical order; capitalize only proper names; and separate key words by semicolon s) advanced ceramics; gas-fired environments; heat engines; heat exchangers; numerical

database; materials properties; radiant tubes; recuperators.

13. AVAILABILITY

X i U n 1 1 mi ted

|

; For Official Distribution. Do Not Release to NTIS

}

I Order From Superintendent of Documents, U.S. Government Printing Office, Washington, DC

20402.

Order From National Technical Information Service (NTIS), Springfield, VA 22161

14. NO, OF

PRINTED PAGES

57

15. Price

$13.95

USCOMM-OC 83-60