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March 1, 1955The Journal of Chemical Physics101 citations

Radial Distribution Function Calculated by the Monte-Carlo Method for a Hard Sphere Fluid

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BAB. J. AlderSFStanley P. FrankelVLVictor A. Lewinson

Key Points

  • To calculate the radial distribution function of a hard sphere fluid across different packing densities using Monte Carlo numerical simulations.
  • Simulated rigid sphere fluids using a Monte Carlo method implemented on IBM computing equipment for low densities up to 20% of closest packing.
  • Employed an alternative Monte Carlo algorithm to evaluate fluid structure at a high density corresponding to 72.4% of closest packing.
  • Radial distribution functions computed up to 20% of closest packing matched values obtained from the Kirkwood superposition approximation in triplet space within the method's precision.
  • High-density computations at 72.4% of closest packing demonstrated consistent agreement with previously published numerical data.

Abstract

The radial distribution function of a fluid of rigid spheres has been calculated using IBM equipment by a Monte-Carlo method which is valid only at relatively low densities. Up to the highest densities studied, 20 percent of closest packing, the radial distribution function agrees within the precision of the method with the one calculated by the use of the superposition approximation in triplet space. Another Monte-Carlo approach was used at a higher density, 72.4 percent of closest packing, and the results agree with published computations.

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Cite This Study

Alder et al. (1955) studied this question.

synapsesocial.com/papers/6a0d2883e49726ca0cd9aacahttps://doi.org/10.1063/1.1742004
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