Ingredients of liquid crystal modeling for general rigid molecules

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:2023-09-07 10:00





Liquid crystals are states of matters featured by local anisotropy typically generated by rigid molecules. The description of local anisotropy leads to distinctive ingredients in liquid crystal models. We discuss the following topics: symmetry, order parameters, free energy, relations of molecular parameters and coefficients in the models, hydrodynamics, entropy term and closure approximation. In particular, the most computationally challenging problems always involve the entropy. We propose an elementary-function substitution of the original entropy, called the quasi-entropy, that is prospective in resolving these problems.


徐劼,中国科学院计算数学所副研究员,2010年和2015年在北京大学分别获学士和博士学位,师从张平文院士;后在普渡大学与沈捷教授合作从事博士后研究;2019年加入中国科学院计算数学与科学工程计算研究所。在液晶建模与模拟、梯度流的数值方法方面取得了突出的研究成果,代表工作包括:针对复杂液晶分子发展了基于分子理论的系统建模方法;独立提出了拟熵使模型可计算化;提出了梯度流的标量辅助变量方法,在SIAM Review等期刊发表多篇论文。