COMPARISON BETWEEN MOLECULAR DYNAMICS AND MONTE CARLO DESCRIPTIONS OF SOLID–LIQUID PHASE-TRANSITION OF LENNARD–JONES FLUIDS

A. S. Martins (), C. X. S. Seixas, L. B. dos Santos and P. R. Rios
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A. S. Martins: Departamento de Ciências Exatas, Pólo Universitário de Volta Redonda, Universidade Federal Fluminense, Volta Redonda, Brazil
C. X. S. Seixas: Departamento de Ciências Exatas, Pólo Universitário de Volta Redonda, Universidade Federal Fluminense, Volta Redonda, Brazil
L. B. dos Santos: Departamento de Ciências Exatas, Pólo Universitário de Volta Redonda, Universidade Federal Fluminense, Volta Redonda, Brazil
P. R. Rios: Departamento de Ciências Exatas, Pólo Universitário de Volta Redonda, Universidade Federal Fluminense, Volta Redonda, Brazil

International Journal of Modern Physics C (IJMPC), 2010, vol. 21, issue 03, 349-363

Abstract: Molecular dynamics and Monte Carlo techniques are employed for the study of Lennard–Jones fluids near the solid–liquid transition region. Systematic comparisons between the predictions of both techniques are discussed, with particular emphasis on the structural evolution and location of the transition (melting) temperatureTm.

Keywords: Molecular dynamics; Monte Carlo; Lennard–Jones fluids; solid–liquid transition; 61.20.Ja; 61.20.Ne; 64.60.-i (search for similar items in EconPapers)
Date: 2010
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DOI: 10.1142/S0129183110015154

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