Integrated computational materials design for high-performance alloys. (December 2015)

• Record Type: Journal Article
• Authors: Xiong, Wei; Olson, Gregory B.
• Is Part Of: MRS bulletin. Volume 40:Number 12(2015:Dec.)
• Page Start: 1035
• Page End: 1044
• Publication Date: 2015-12
• Subjects: alloy, -- diffusion, -- structural, -- simulation, -- phase transformation; Materials -- Periodicals; 620.11
• DOI: 10.1557/mrs.2015.273
• Languages: English
• ISSNs: 0883-7694

Abstract

Abstract: Abstract : Major advances have been made over the past 30 years in the development of an integrated computational materials design (ICMD) technology. The hierarchical structure of its methods, tools, and supporting fundamental materials databases is reviewed here, with an emphasis on successful applications of CALPHAD (calculation of phase diagrams)-based tools as an example of ICMD, expressing mechanistic understanding in quantitative form to support science-based materials engineering. Opportunities are identified for rapid expansion of CALPHAD databases, as well as a major restructuring of materials education.