Monte Carlo simulations including energy from an entropic force

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

Several experimental techniques have shown that the primary response of many materials comes from a heterogeneous distribution of independently relaxing nanoscale regions; but most Monte Carlo simulations have homogeneous correlations. Resolving this discrepancy may require including the energy needed to change the configurational entropy, which is often used in theoretical treatments of thermal fluctuations, but not in computer simulations. Here the local configurational entropy is shown to give a nonlinear correction to the Metropolis algorithm that restores conservation of energy, maintains maximum entropy, and yields heterogeneous correlations. The nonlinear correction also improves agreement between Monte Carlo simulations of the Ising model and measurements of specific heat and structural correlations from the Jahn-Teller distortion in LaMnO 3.

Original languageEnglish (US)
Pages (from-to)5384-5391
Number of pages8
JournalPhysica A: Statistical Mechanics and its Applications
Volume391
Issue number22
DOIs
StatePublished - Nov 15 2012

Keywords

  • Entropic force
  • Heterogeneous dynamics
  • Ising model
  • Monte Carlo simulations
  • Small-system thermodynamics

ASJC Scopus subject areas

  • Statistics and Probability
  • Condensed Matter Physics

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