Department of Physics, University of Calcutta, 92, A. P. C. Road, Kolkata, 700009, India.
Sci Rep. 2020 Sep 29;10(1):16016. doi: 10.1038/s41598-020-72086-4.
We report here an off-lattice NVT molecular dynamics simulation study of a system of polar chiral ellipsoidal molecules, which spontaneously exhibits Blue Phase III (BPIII), considering coarse-grained attractive-repulsive pair interaction appropriate for anisotropic liquid crystal mesogens. We have observed that suitable selection of chiral and dipolar strengths not only gives rise to thermodynamically stable BPIII but novel Smectic and Bilayered BPIII as well. Further, we have demonstrated that the occurrence of BPIII and its layered counterparts depend crucially on molecular elongation.
我们在此报告了一个关于各向异性液晶介晶合适的粗粒吸引-排斥偶极力的、含有极性手性椭圆分子的系统的非格 NVT 分子动力学模拟研究，该系统自发地表现出蓝相 III（BPIII）。我们已经观察到，合适的手性和偶极力的选择不仅导致了热力学稳定的 BPIII，而且还产生了新颖的 Smectic 和双层 BPIII。此外，我们已经证明，BPIII 及其层状对应物的出现取决于分子的长径比。
