A Wang-Landau Monte Carlo simulation of melting in fcc Lennard-Jones system

Kazufumi Sato, Satoshi Takizawa, Tetsuo Mohri

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

We investigate the melting transition of the Lennard-Jones system using Wang-Landau Monte Carlo simulation. The obtained results show an abrupt increase of the density of states at a critical energy and as a result discontinuous changes in the internal energy and slope of the free energy appear which are typical features of first-order transition. The transition temperature is in agreement with previous simulation studies despite that the present model is basically the cell model. We discuss the role of the correlation effects and multiple occupation in a cell for melting transition based on our simulation results. Finally a conceivable melting mechanism is presented based on the present model.

Original languageEnglish
Article number084602
Journaljournal of the physical society of japan
Volume79
Issue number8
DOIs
Publication statusPublished - 2010 Aug

Keywords

  • Density of states
  • First-order transition
  • Lennard-Jones system
  • Melting
  • Wang-Landau Monte Carlo simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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