Paper Title:
Modeling Precipitate Microstructure Evolution in Alloys with First-Principles Energetic Information
  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 mixedspace 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.

  Info
Periodical
Materials Science Forum (Volumes 449-452)
Edited by
S.-G. Kang and T. Kobayashi
Pages
19-24
DOI
10.4028/www.scientific.net/MSF.449-452.19
Citation
V. Vaithianathan, C. Wolverton, L. Q. Chen, "Modeling Precipitate Microstructure Evolution in Alloys with First-Principles Energetic Information", Materials Science Forum, Vols. 449-452, pp. 19-24, 2004
Online since
March 2004
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