Lee Kuang-Wu, Mazza Marco G
Max Planck Institute for Dynamics and Self-Organization, Am Faßberg 17, 37077 Göttingen, Germany.
J Chem Phys. 2015 Apr 28;142(16):164110. doi: 10.1063/1.4919310.
We introduce a new mesoscopic model for nematic liquid crystals (LCs). We extend the particle-based stochastic rotation dynamics method, which reproduces the Navier-Stokes equation, to anisotropic fluids by including a simplified Ericksen-Leslie formulation of nematodynamics. We verify the applicability of this hybrid model by studying the equilibrium isotropic-nematic phase transition and nonequilibrium problems, such as the dynamics of topological defects and the rheology of sheared LCs. Our simulation results show that this hybrid model captures many essential aspects of LC physics at the mesoscopic scale, while preserving microscopic thermal fluctuations.
我们介绍了一种用于向列型液晶（LCs）的新介观模型。我们通过纳入一种简化的向列动力学的埃里克森 - 莱斯利公式，将能够再现纳维 - 斯托克斯方程的基于粒子的随机旋转动力学方法扩展到各向异性流体。我们通过研究平衡各向同性 - 向列相转变和非平衡问题，如拓扑缺陷的动力学和剪切液晶的流变学，来验证这种混合模型的适用性。我们的模拟结果表明，这种混合模型在介观尺度上捕捉到了液晶物理的许多基本方面，同时保留了微观热涨落。
