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Comparison Between Molecular Dynamics And Monte Carlo Descriptions Of Solid–Liquid Phase-Transition Of Lennard–Jones Fluids

Author

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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)

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.

Suggested Citation

  • A. S. MARTINS & C. X. S. SEIXAS & L. B. dos SANTOS & P. R. RIOS, 2010. "Comparison Between Molecular Dynamics And Monte Carlo Descriptions Of Solid–Liquid Phase-Transition Of Lennard–Jones Fluids," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 21(03), pages 349-363.
    • Handle: RePEc:wsi:ijmpcx:v:21:y:2010:i:03:n:s0129183110015154
    DOI: 10.1142/S0129183110015154
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