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Database for Computational Thermodynamics and Diffusion Modeling Workshop Report

Published

Author(s)

Ursula R. Kattner, William J. Boettinger, J E. Morral

Abstract

Databases for computational thermodynamics and diffusion modeling can be applied to predict phase diagrams for alloy design and alloy behavior during processing and service. Databases that are currently available to scientists, engineers and students need to be expanded and improved. The approach of the workshop was to first identify the database and information delivery tool needs of industry and for education. Improved modeling capabilities result in decreased new alloy and process development time and ultimately in cost savings. A roadmap will be developed for how these needs can be met during the next decade in a cost effective way through expanded collaborative efforts in education, basic research and database development.The workshop format was a series of invited talks given to the group as a whole followed by general discussions of needs and benefits to provide a roadmap of future activities.
Citation
NIST Interagency/Internal Report (NISTIR) - 6927
Report Number
6927

Keywords

calphad, diffusion, first principles, modeling phase equilibria, thermodynamics workshop

Citation

Kattner, U. , Boettinger, W. and Morral, J. (2002), Database for Computational Thermodynamics and Diffusion Modeling Workshop Report, NIST Interagency/Internal Report (NISTIR), National Institute of Standards and Technology, Gaithersburg, MD (Accessed June 17, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created November 1, 2002, Updated October 16, 2008