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Computer simulation of liquids and liquid crystals

Authors
Journal
Computer Physics Communications
0010-4655
Publisher
Elsevier
Publication Date
Keywords
  • Molecular Simulation
  • Integral Equations
  • Bridge Function
  • Monte Carlo
  • Computer Science
  • Interdisciplinary Applications
  • Physics
  • Mathematical

Abstract

Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed. (C) 2008 Elsevier B.V. All rights reserved.

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