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Power law relaxation and glassy dynamics in Lebwohl-Lasher model near isotropic-nematic phase transition

机译:Lebwohl-Lasher模型附近的幂律放松和玻璃动力学   各向同性 - 向列相变

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摘要

Orientational dynamics in a liquid crystalline system near theisotropic-nematic (I-N) phase transition is studied using Molecular Dynamicssimulations of the well-known Lebwohl-Lasher (LL) model. As the I-N transitiontemperature is approached from the isotropic side, we find that the decay ofthe orientational time correlation functions (OTCF) slows down noticeably,giving rise to a power law decay at intermediate timescales. The angularvelocity time correlation function also exhibits a rather pronounced power lawdecay near the I-N boundary. In the mean squared angular displacement atcomparable timescales, we observe the emergence of a \emph{subdiffusive regime}which is followed by a \emph{superdiffusive regime} before the onset of thelong-time diffusive behavior. We observe signature of dynamical heterogeneitythrough \emph{pronounced non-Gaussian behavior in orientational motion}particularly at lower temperatures. This behavior closely resembles what isusually observed in supercooled liquids. We obtain the free energy as afunction of orientational order parameter by the use of transition matrix MonteCarlo method. The free energy surface is flat for the system considered hereand the barrier between isotropic and nematic phases is vanishingly small forthis weakly first-order phase transition, hence allowing large scale,collective and correlated orientational density fluctuations. This might beresponsible for the observed power law decay of the OTCFs.
机译:使用众所周知的Lebwohl-Lasher(LL)模型的分子动力学模拟研究了各向异性向列相(I-N)相变附近的液晶系统中的取向动力学。当从各向同性侧接近I-N转变温度时,我们发现取向时间相关函数(OTCF)的衰减显着减慢,从而在中间时间尺度上引起幂律衰减。角速度时间相关函数在I-N边界附近也表现出相当明显的幂律衰减。在可比的时间尺度上的均方角位移中,我们观察到\ emph {subdiffusive政权}的出现,随后是\ emph {superdiffusive政权}在长期扩散行为开始之前出现。我们通过\ emph {在定向运动中发音为非高斯行为}观察到动态异质性的特征,特别是在较低温度下。此行为与过冷液体中通常观察到的行为非常相似。通过使用转移矩阵蒙特卡洛方法,我们获得了自由能随取向顺序参数变化的函数。对于这里考虑的系统,自由能表面是平坦的,并且对于这种弱的一阶相变,各向同性相和向列相之间的势垒很小,因此允许较大的,集体的和相关的取向密度波动。这可能是由于观察到的OTCF的幂律衰减所造成的。

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