Coarse-graining description of solid systems at nonzero temperature

Z. B. Wu, D. J. Diestler, R. Feng, X. C. Zeng

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

An extension of quasicontinuum (QC) technique to nonzero temperatures was described. The coarse-graining description of solid systems at nonzero temperature was also presented. The computation of coarse-grained isotropic stress by using Monte Carlo (MC) method was discussed.

Original languageEnglish (US)
Pages (from-to)8013-8023
Number of pages11
JournalJournal of Chemical Physics
Volume119
Issue number15
DOIs
StatePublished - Oct 15 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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