Integrated computational materials design for high-performance alloys

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...

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Published in:MRS bulletin 2015-12, Vol.40 (12), p.1035-1044
Main Authors: Xiong, Wei, Olson, Gregory B.
Format: Article
Language:English
Subjects:
Alloys
Applied and Technical Physics
Characterization and Evaluation of Materials
Computation
Computer simulation
Copper
Design engineering
Enablers
Energy Materials
Engineering
Genomes
Infrastructure
Materials Engineering
Materials Science
Mathematical analysis
Mathematical models
Nanotechnology
Phase transformations
Tin
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description 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.
doi_str_mv 10.1557/mrs.2015.273
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subjects Alloys
Applied and Technical Physics
Characterization and Evaluation of Materials
Computation
Computer simulation
Copper
Design engineering
Enablers
Energy Materials
Engineering
Genomes
Infrastructure
Materials Engineering
Materials Science
Mathematical analysis
Mathematical models
Nanotechnology
Phase transformations
Tin
title Integrated computational materials design for high-performance alloys
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