首页> 外文会议>Conference on Liquid Crystals; 20031013-20031017; Zakopane; PL >Multicanonical Markov chain Monte Carlo simulation of nematic - isotropic phase transition in liquid crystals
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Multicanonical Markov chain Monte Carlo simulation of nematic - isotropic phase transition in liquid crystals

机译:液晶向列各向同性相变的多经典Markov链Monte Carlo模拟。

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摘要

Temperature driven first order transition from isotropic to nematic phase in liquid crystals with and without random and quenched orientational disorder is investigated employing multicanonical Monte Carlo simulation. A lattice model with periodic boundary conditions is employed with the pair wise interaction of two nearest neighbour liquid crystal molecules given by the Lebwohl-Lasher potential. The transition temperature decreases with increase of disorder; also the transition appears to soften under strong disorder.
机译:利用多规范蒙特卡洛模拟研究了在有无随机和淬灭的取向无序的液晶中温度驱动的从各向同性相向向列相的一阶跃迁。使用具有周期性边界条件的晶格模型,并利用由Lebwohl-Lasher势给出的两个最邻近的液晶分子的成对相互作用。转变温度随着无序度的增加而降低;在强烈的无序状态下,过渡也似乎会软化。

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