Multiscale Modeling of Precipitate Microstructure Evolution

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

Research output: Contribution to journalArticlepeer-review

6 Scopus citations


We demonstrate how three “state-of-the-art” techniques may be combined to build a bridge between atomistics and microstructure: (1) first-principles calculations, (2) a mixed-space cluster expansion approach, and (3) the diffuse-interface phase-field model. The first two methods are used to construct the driving forces for a phase-field microstructural model of [Formula presented]- [Formula presented] precipitates in Al: bulk, interfacial, and elastic energies. This multiscale approach allows one to isolate the physical effects responsible for precipitate microstructure evolution.

Original languageEnglish (US)
Pages (from-to)4
Number of pages1
JournalPhysical review letters
Issue number12
StatePublished - 2002

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


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