Many-body ab initio potentials in simulations of grain boundary sliding and decohesion in metals

S. Dorfman*, D. E. Ellis, K. C. Mundim, V. Liubich, D. Fuks

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

A direct scheme for theoretical study of sliding and decohesion properties of the grain boundaries (GB) in metals is presented here. This approach combines ab initio calculations and Monte Carlo (MC) simulations with non-empirical many-body (MB) potentials. The authors studied the propagation of the elastic field in tine vicinity of the GB and show how the sliding or decohesion shifts influence the penetration of the elastic field inside the grain.

Original languageEnglish (US)
Pages (from-to)580-584
Number of pages5
JournalAdvanced Engineering Materials
Volume4
Issue number8
DOIs
StatePublished - Aug 2002

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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