Constant-pressure monte carlo simulations for lattice models

A. D. Mackie, A. Z. Panagiotopoulos, D. Frenkel, S. K. Kumar

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

Computer simulations of lattice systems have not been performed under constant pressure conditions since a volume change move involving the addition or removal of a whole lattice layer has a low acceptance probability. We propose a new method to improve the efficiency of the volume change move and thus allow for the simulation of lattice systems in the isothermal-isobaric ensemble. The method is shown to predict properties for lattice polymer systems in two and three dimensions in excellent agreement with thermodynamic integration results.

Original languageEnglish (US)
Pages (from-to)549-554
Number of pages6
JournalEPL
Volume27
Issue number7
DOIs
StatePublished - Sep 1 1994
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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