Computer simulation of liquids and liquid crystals

Cheung, David (2008) Computer simulation of liquids and liquid crystals. Computer Physics Communications, 179 (1-3). pp. 61-65. ISSN 0010-4655 (

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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.