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Physics of Fluids / Volume 24 / Issue 1 / LETTERS

Phys. Fluids 24, 011703 (2012); http://dx.doi.org/10.1063/1.3676060 (6 pages)

Direct simulation Monte Carlo method for an arbitrary intermolecular potential

Felix Sharipov and José L. Strapasson

Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, Curitiba 81531-990, Brazil

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(Received 5 September 2011; accepted 16 December 2011; published online 9 January 2012)

A scheme to implement an arbitrary intermolecular potential into the direct simulation Monte Carlo method is proposed. To illustrate the scheme, two benchmark problems are solved employing the Lennard-Jones potential. Since the computational effort of the new scheme is comparable with that of the hard sphere model of molecules, it can completely substitute the widely used models such as variable hard spheres and variable soft spheres.

© 2012 American Institute of Physics

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KEYWORDS and PACS

Keywords

aerodynamics, flow simulation, Lennard-Jones potential, Monte Carlo methods

PACS

  • 47.40.-x

    Compressible flows; shock waves

  • 02.50.Ng

    Distribution theory and Monte Carlo studies

  • 47.11.-j

    Computational methods in fluid dynamics

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3676060

PUBLICATION DATA

ISSN

1070-6631 (print)  
1089-7666 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    M. S. Ivanov, S. F. Gimelshein, and A. E. Beylich, “Hysteresis effect in stationary reflection of shock waves,” Phys. Fluids 7, 685 (1995)PHFLE6000007000004000685000001.

    J. Fan, “A generalized soft-sphere model for Monte Carlo simulation,” Phys. Fluids 14, 4399 (2002)PHFLE6000014000012004399000001.

    H. Matsumotoa, “Variable sphere molecular model for inverse power law and Lennard-Jones potentials in Monte Carlo simulations,” Phys. Fluids 14, 4256 (2002)PHFLE6000014000012004256000001.

    J. Kestin, K. Knierim, E. A. Mason, B. Najafi, S. T. Ro, and M. Waldman, “Equilibrium and transport properties of the noble gases and their mixture at low densities,” J. Phys. Chem. Ref. Data 13, 229 (1984)JPCRBU000013000001000229000001.

    F. Sharipov, “Data on the velocity slip and temperature jump on a gas-solid interface,” J. Phys. Chem. Ref. Data 40, 023101 (2011)JPCRBU000040000002023101000001.


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