Databases for computational thermodynamics and diffusion modeling

Abstract

Databases for computational thermodynamics and diffusion modeling can be applied to the prediction of phase diagrams and microstructural evolution. These predictions 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. A brief report of a follow-up meeting held on May 27, 2003, is given in the Appendix.