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Databases for Computational Thermodynamics and Diffusion Modeling



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


tabases for computational thermodynamics and diffusion modeling can be applied to the prediction of phase diagrams and microstructural evolution. These can be used for alloy and process design as well as to improve modeling capabilities that would decrease the time for new alloy and process development. Databases that are currently available to scientists, engineers and students need to be expanded and improved. Accordingly a workshop was held March 21-22, 2002, to identify the database and information delivery tool needs of industry and education. As a result of the workshop a roadmap was developed to show 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 consisted of a series of invited talks given to the group as a whole followed by general discussions of needs and benefits and the construction of a roadmap of future activities.
Journal of Phase Equilibria
No. 5


Computational thermodynamics, databases, diffusion modeling, workshop report


Kattner, U. , Morral, J. and Boettinger, W. (2003), Databases for Computational Thermodynamics and Diffusion Modeling, Journal of Phase Equilibria (Accessed June 14, 2024)


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Created October 1, 2003, Updated February 17, 2017