Modeling precipitate microstructure evolution in alloys with first-principles energetic information

V. Vaithyanathan, C. Wolverton, L. Q. Chen

Research output: Contribution to journalConference article

2 Scopus citations

Abstract

This short article reports our recent effort to integrate the mesoscale phase-field method with first-principles total energy calculations, linear response theory, as well as mixed-space cluster expansion. A particular example of applying such a multiscale approach to the case of precipitation of semicoherent θ' particles in an Al-matrix is presented.

Original languageEnglish (US)
Pages (from-to)19-24
Number of pages6
JournalMaterials Science Forum
Volume449-452
Issue numberI
StatePublished - Jul 27 2004
EventDesigning, Processing and Properties of Advanced Engineering Materials: Proceedings on the 3rd International Symposium on Designing, Processing and Properties of Advanced Engineering Materials - Jeju Island, Korea, Republic of
Duration: Nov 5 2003Nov 8 2003

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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