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>