10.1371/journal.pone.0151704.g002 Wenduo Chen Wenduo Chen Youliang Zhu Youliang Zhu Fengchao Cui Fengchao Cui Lunyang Liu Lunyang Liu Zhaoyan Sun Zhaoyan Sun Jizhong Chen Jizhong Chen Yunqi Li Yunqi Li Schematics of LC molecules (A) in small molecular LC (SMALL, B), main-chain polymers (MCLCP, C) and side-chain polymers (SCLCP, D). Public Library of Science 2016 CPU mesogen GB Coarse-Grained Gay-Berne Anisotropic GALAMOST Study Liquid Crystal Phase Transition side-chain LC polymers multi-domain nematic texture LAMMPS LC phase transitions phase transition GPU-Accelerated Molecular Dynamics Simulation anisotropic particles molecule main-chain LC polymers GPU-accelerated MD simulation 2016-03-17 00:07:15 Figure https://plos.figshare.com/articles/figure/Schematics_of_LC_molecules_A_in_small_molecular_LC_SMALL_B_main-chain_polymers_MCLCP_C_and_side-chain_polymers_SCLCP_D_/3959262 <p>Ellipsoids are mesogens, spheres are backbone connectors in SCLCP and the springs demonstrate harmonic interactions. <i>θ</i> is the angle between the major axis of the two adjacent GB mesogens (<b>u</b><sub><i>i</i></sub>, <b>u</b><sub><i>j</i></sub>) for MCLCP (C), while it is the angle between the major axis of the GB mesogen (<b>u</b><sub><i>i</i></sub>) and the vector from the center of the GB mesogens to the adjacent LJ beads on backbone (<b>r</b><sub><i>ij</i></sub>) for SCLCP (D). The site-site vector <b>S</b><sub><i>ij</i></sub> connects the two adjacent GB/GB sites or GB/LJ sites placed in terminal position for MCLCP and SCLCP, respectively.</p>