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第五届科学数据库与信息技术学术研讨会

作者：温浩宋善鹏张伟冯嵬 Charles C.Han John R.Rumble Jr. 中国科学院化工冶金研究所计算机化学开放实验室北京100080 Polymers Division National Instate of Standards and TechnologyCaithersburg MD 20899-8544 Standard Reference Data Program National Instituter of Standards and Technology Gaithersburg MD 2

共混聚合物的相态行为是研究高分子材料的共混改性,发展高性能高分子材料的重要数据资源.本文对共混聚合物相态行为的复杂性进行讨论,并由此得出描述共混聚合物相容性的必要信息及其相互之间的关系.在此基础上,采用关系数据库模型构造... 详细信息

共混聚合物的相态行为是研究高分子材料的共混改性,发展高性能高分子材料的重要数据资源.本文对共混聚合物相态行为的复杂性进行讨论,并由此得出描述共混聚合物相容性的必要信息及其相互之间的关系.在此基础上,采用关系数据库模型构造了共混聚合物相容性数据库.该数据库可提供共混聚合物相容性数据,以及聚合物属性、共混聚合物的组成与制备方法、数据测定方法、数据来源等描述共混聚合物相容性的完备信息.此外,由描述共混聚合物相容性的必要信息的分析,在数据库中提出了评价相容性数据质量的表征方法.

关键词：共混聚合相平衡相容性数据库高分子材料

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The NIST surface analysis data center

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AIP Conference Proceedings 1998年第1期449卷 887-891页

作者： C. J. Powell J. R. Rumble, Jr. D. M. Blakeslee M. E. Dal-Favero A. Jablonski S. Tougaard Surface and Microanalysis Science Division National Institute of Standards and Technology Gaithersburg Maryland 20899 Standard Reference Data Program National Institute of Standards and Technology Gaithersburg Maryland 20899 Institute of Physical Chemistry Polish Academy of Sciences ul. Kasprzaka 44/52 01-224 Warsaw Poland Physics Department Odense University Campusvej 55 DK-5230 Odense M Denmark

NIST has recently established a Surface Analysis data Center to give greater visibility to its databases developed for applications in surface analysis. Two databases are currently available for this purpose, and a third will be released soon. These three databases are described briefly here. Version 2.0 of the popular X-ray Photoelectron Spectroscopy database (SRD 20) was released in 1997. This database has long been a valuable resource of binding-energy and related data for the surface analysis of a wide range of materials by x-ray photoelectron spectroscopy (XPS). Version 2.0 contains about 16,000 line positions, chemical shifts, and splittings. Pull-down menus are now available to initiate searches for the identification of unknown lines, to retrieve data on core-level binding energies, to retrieve data on chemical shifts, to initiate searches for compounds containing selected elements or for specified material classes, to perform searches based on compound names and other fields, and to display Wagner *** 1 of the Elastic-Electron-Scattering Cross-Section database (SRD 64) was released in 1996. This database provides differential and total elastic-electron-scattering cross sections for simulations of signal-electron transport in XPS and Auger-electron spectroscopy (AES). Such simulations are important in the development of improved methods for correcting for elastic-electron-scattering effects in quantitative surface analyses by AES and XPS and for separating chemical information from effects due to the complex morphologies of semiconductor structures. Cross sections are given for all elements and for electron energies between 50 and 9,999 eV. The Electron Inelastic-Mean-Free-Path database (SRD 71) will be released in 1998. This database contains calculated and measured inelastic mean free paths (IMFPs) that are needed for quantitative surface analyses by AES and XPS. The IMFPs are available for elements, inorganic compounds, and organic compounds as

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NIST-JANAF thermochemical tables for the iodine oxides

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JOURNAL OF PHYSICAL AND CHEMICAL reference data 1996年第5期25卷 1297-1340页

作者： Chase, MW Standard Reference Data Program National Institute of Standards and Technology Gaithersburg Maryland 20879

The thermodynamic and spectroscopic properties of the iodine oxide species have been reviewed. Recommended NIST-JANAF Thermochemical Tables are given for six gaseous iodine oxides: IO, OIO, IOO, IOI, IIO, and IO3. Sufficient information is not available to generate thermochemical tables for any condensed phase species. Annotated bibliographies (over 400 references) are provided for all neutral iodine oxides which have been reported in the literature. There is a lack of experimental thermodynamic and spectroscopic information for all iodine oxide species, except IO(g) and OIO(g). The recommended thermochemical tables are based on estimates for the Structure, vibrational frequencies, and enthalpy of formation based in part on the spectroscopic and thermodynamic data for the other halogen oxides [J. Phys. Chem. Ref. data 25, 551 (1996);25, 1061 (1996)]. Although there is a definite lack of information in comparison with the other halides, this information is provided for the iodine oxides for the following reasons: (1) to complete the study of the halogen oxide family and (2) to stress the need for additional experimental measurements. Of all the species mentioned in the literature, many have not been isolated or characterized. In fact, some do not exist. Throughout this paper, uncertainties attached to recommended values correspond to the uncertainty interval, equal to twice the standard deviation of the mean. (C) 1996 American Institute of Physics and American Chemical Society.

关键词： evaluated recommended data iodine oxides literature survey spectroscopic properties thermodynamic properties

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NIST-JANAF thermochemical tables for the bromine oxides

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JOURNAL OF PHYSICAL AND CHEMICAL reference data 1996年第4期25卷 1069-1111页

作者： Chase, MW Standard Reference Data Program National Institute of Standards and Technology Gaithersburg Maryland 20899

The thermodynamic and spectroscopic properties of the bromine oxide species have been reviewed. Recommended NIST-JANAF Thermochemical Tables are given for six gaseous bromine oxides: BrO, BBrO, BrOO, BrOBr, BrBrO, and BrO3. Sufficient information is not available to generate thermochemical tables for any condensed phase species. Annotated bibliographies (over 280 references) are provided for all neutral bromine oxides which have been reported in the literature. There are needs for additional experimental and theoretical data to reduce the uncertainties in the recommended values for these six species. Of all the species mentioned in the literature, many have not been isolated and characterized. In fact some do not exist. Throughout this paper, uncertainties attached to recommended values correspond to the uncertainty interval, equal to twice the standard deviation of the mean. (C) 1996 American Institute of Physics and American Chemical Society.

关键词： bromine oxides evaluated recommended data literature survey spectroscopic properties thermodynamic properties

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NIST-JANAF thermochemical tables for the oxygen fluorides

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JOURNAL OF PHYSICAL AND CHEMICAL reference data 1996年第2期25卷 551-603页

作者： Chase, MW Standard Reference Data Program National Institute of Standards and Technology Gaithersburg MD 20899‐0001

The thermodynamic and spectroscopic properties of the oxygen fluoride species have been reviewed. Recommended thermochemical tables are given for five gaseous oxygen fluorides: OF, OFO, FOO, FOF, and O2F2. Sufficient information is not available to generate thermochemical tables for any condensed phase species. Annotated bibliographies (over 600 references) are provided for all neutral oxygen fluorides which have been reported in the literature, There are needs for additional experimental and theoretical data to reduce the uncertainties in the recommended values for these five species. Of all the species mentioned in the literature, many have not been isolated and characterized. In fact, some do not exist. Throughout this paper, uncertainties attached to recommended values correspond to the uncertainty interval, equal to twice the standard deviation of the mean. (C) 1996 American Institute of Physics and American Chemical Society.

关键词： evaluated/recommended data literature survey oxygen fluorides spectroscopic properties thermodynamic properties

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GETTING YOUR NAME ON THE RIGHT DESKTOPS, OR HOW TO BE FOUND ON THE INTERNET

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JOURNAL OF THE AMERICAN SOCIETY FOR INFORMATION SCIENCE 1995年第8期46卷 618-622页

作者： FAGAN, P NATL INST STAND & TECHNOL STANDARD REFERENCE DATA PROGRAMBLDG 221RM A-323GAITHERSBURGMD 20899 USA

The National Institute of standards and Technology (NIST) is a government agency within the Department of Commerce. The standard reference data (SRD) program is part of NIST's Technology Services. This program provides well-documented numeric data to scientists and engineers for their research and development work. The data are species-oriented and tabular in concept, and the tables may be preexisting or generated from equations at runtime. In 1968, a Congressional mandate gave SRD copyright authority and a requirement of cost recovery for delivery of the data. This mandate adds a level of complexity to SRD's provision of data on the Internet. This article addresses initial experiments in delivering information on the Internet. The cost recovery aspects are not addressed at this time.

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Getting your name on the right desktops, or how to be found on the Internet

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Journal of the Association for Information Science and Technology 1995年第8期46卷

作者： Phoebe Fagan Standard Reference Data Program National Institute of Standards and Technology Bldg. 221 Rm. A-323 Gaithersburg MD 20899. Phone: (301)975-2213 FAX: (301) 926-0416

The National Institute of standards and Technology (NIST) is a government agency within the Department of Commerce. The standard reference data (SRD) program is part of NIST's Technology Services. This program provides well-documented numeric data to scientists and engineers for their research and development work. The data are species-oriented and tabular in concept, and the tables may be preexisting or generated from equations at run-time. In 1968, a Congressional mandate gave SRD copyright authority and a requirement of cost recovery for delivery of the data. This mandate adds a level of complexity to SRD's provision of data on the Internet. This article addresses initial experiments in delivering information on the Internet. The cost recovery aspects are not addressed at this time. © 1995 John Wiley & Sons, Inc.

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THERMODYNAMIC PROPERTIES OF THE GROUP IA ELEMENTS

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JOURNAL OF PHYSICAL AND CHEMICAL reference data 1994年第3期23卷 385-497页

作者： ALCOCK, CB CHASE, MW ITKIN, VP Center for Sensor Materials University of Notre Dame Notre Dame IN 46556 Standard Reference Data Program National Institute of Standards and Technology Gaithersburg Maryland 20899‐001 Department of Metallurgy and Materials Science University of Toronto Toronto Ontario M5S 1A4 Canada

This review describes thermodynamic properties of condensed phases of the alkali metals, excluding francium for which the amount of information is too limited. The properties considered are: heat capacities from 0 to 1600 K, temperatures and enthalpies of fusion and martensitic transformation in Li and Na;discussion of the Debye temperature and electronic heat capacity coefficient at absolute zero temperature is also included. The paper is the second part of a series. Similar to our previous assessment of the IIA group [93ALC/CHA], this paper considers original studies, especially with respect to factors which influence the accuracy and reliability of results. Recommendations derived from such analyses are compared with most advanced previous reviews made at the Institute for High Temperatures (Moscow) [70SHP/YAK], [82GUR] and the National Institute of standards and Technology (Washington) [85JAN]. The properties of individual elements of the group are compared and suggestions are made for experimental studies which should improve poorly measured quantities. The review is supplemented by an IBM PC database which contains references, assessed data, brief description of studies and has facilities for fitting and plotting of data and for adding new information.

关键词： ELEMENT ENTHALPY FUNCTION FUSION GIBBS ENERGY HEAT CAPACITY PHASE TRANSITION THERMODYNAMICS

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THERMODYNAMIC PROPERTIES OF THE GROUP-IIA ELEMENTS

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JOURNAL OF PHYSICAL AND CHEMICAL reference data 1993年第1期22卷 1-85页

作者： ALCOCK, CB CHASE, MW ITKIN, V Center for Sensor Materials University of Notre Dame Notre Dame IN 46556 Standard Reference Data Program National Institute of Standards and Technology Gaithersburg MD 20899 Department of Metallurgy and Materials Science University of Toronto Toronto Canada M5S 1A4

The thermodynamic properties of the alkaline earth metals in the condensed state have been critically reassessed, and recommended values for all of the relevant thermodynamic properties are given. These values are compared with those published in recent reviews by the staff at the Institute for High Temperatures (Moscow) and the National Bureau of standards (Washington, DC), and the reasons for any differences are discussed in detail. A direct result of this review is a set of recommendations for experimental studies which should enhance the reliability of the thermodynamic results. The properties considered are: temperatures and enthalpies of phase transformations and fusion, heat capacities from 0 K to 2000 K, the Debye temperatures, and electronic heat capacity coefficients at absolute zero temperature.

关键词： ELEMENTS ENTHALPY FUNCTION FUSION GIBBS ENERGY HEAT CAPACITY PHASE TRANSITION THERMODYNAMICS

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THE STEP MODEL OF MATERIALS INFORMATION

THE STEP MODEL OF MATERIALS INFORMATION

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SYMP ON THE COMPUTERIZATION AND USE OF MATERIALS PROPERTY data

作者： RUMBLE, J Standard Reference Data Program The National Institute of Standards and Technology A323 Physics Building Gaithersburg 20899 MD United States

ISBN: (纸本)0803114370

An information model of materials and their properties has been developed to support an international standard on product model data. Under the auspices of ISO, the standard for the Exchange of Product Model data (STEP) is being developed to support data exchange between software that performs all the engineering functions associated with manufactured products. Materials information is very important for STEP and the modeling effort has two goals: to provide a general framework for the description of a material, its properties, and the environment in which those properties are meaningful;and to support the use of materials information in product-related applications. The modeling effort has built upon work of several groups, especially ASTM Committee E49. The model has been developed using a data modeling language and its associated graphical representation. © 1992 ASTM International. All rights reserved.

关键词： data MODELS INFORMATION MODEL ISO MATERIAL dataBASE MATERIAL TESTING STEP

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