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Molecular dynamics of two-dimensional gases with realistic potentials

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Abstract

Molecular dynamics calculations have mainly used hard-core interactions because of computational simplicity and increased speed. Algorithms for realistic intermolecular potentials have been used in studies of solids and liquids. By combining both techniques, an algorithm which can reasonably study dilute gases with realistic potentials has been achieved. The BoltzmannH-function is calculated for a hard-core and Lennard-Jones gas, and the latter is found to decrease more rapidly to equilibrium.

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Authors and Affiliations

  1. Center for Statistical Mechanics and Thermodynamics, University of Texas at Austin, Austin, Texas

    Herman W. Harrison & William C. Schieve

Authors
  1. Herman W. Harrison
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  2. William C. Schieve
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Additional information

Work supported in part by the National Science Foundation under Grant No. NSF-USDP GU-1598 and the U. S. Air Force Office of Scientific Research under Grant No. AF-AFOSR 1257-67.

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Harrison, H.W., Schieve, W.C. Molecular dynamics of two-dimensional gases with realistic potentials. J Stat Phys 3, 35–38 (1971). https://doi.org/10.1007/BF01012185

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  • DOI: https://doi.org/10.1007/BF01012185

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