Integrated computational materials design for high-performance alloys

Wei Xiong, Gregory B. Olson

Research output: Contribution to journalArticlepeer-review

50 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)1035-1043
Number of pages9
JournalMRS Bulletin
Issue number12
StatePublished - Nov 27 2015


  • alloy
  • diffusion
  • phase transformation
  • simulation
  • structural

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


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