Temperature dependence of the bulk modulus in fcc metals by using a lattice-gas model with renormalized potentials

Ryoji Sahara, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Kaoru Ohno

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

Temperature dependence of the bulk modulus in five fcc metals are analyzed by using a fcc lattice-gas model. To treat actual systems as quantitatively as possible, we introduce two empirical potentials, which have been widely used for molecular dynamics (MD) simulations. The potentials are mapped onto the fcc lattice by using the potential renormalization technique, which gives a reasonable way to map interatomic potentials, such as MD potentials, onto lattice models, in order to overcome the shortcomings of lattice-gas models of neglecting the internal entropy of the system. By comparing the results with experimental, MD and first-principles data, the renormalized potential is found to reproduce the temperature dependence of the bulk modulus well.

Original languageEnglish
Pages (from-to)1259-1263
Number of pages5
JournalJournal of the Korean Physical Society
Volume52
Issue number4 PART 1
DOIs
Publication statusPublished - 2008 Apr

Keywords

  • Bulk modulus
  • Elasticity
  • Lattice-gas model
  • Renormalization

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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