Structures, thermodynamics and dynamics of topological defects in Gay–Berne nematic liquid crystals

Abstract

Topological defects are a ubiquitous phenomenon across different physical systems. A better understanding of defects can be helpful in elucidating the physical behaviors of many real materials systems. In nematic...

Mechanism of Low Chemical Agent Adsorption by High Pressure for Hydraulic Fracturing-Assisted Oil Displacement Technology: A Study of Molecular Dynamics Combined with Laboratory Experiments

“…In this study, the molecular dynamics simulation study aims to reveal the influence mechanism of high-velocity fluid motion (high-velocity molecular motion) on the adsorption capacity of the HFAD fluid during the HFAD process. In Materials Studio software, the initial speed of molecular motion was given by the random function method . This method was in accordance with the law of thermodynamics, i.e., the average kinetic energy of the molecules was related to the temperature. E i ̅ = 1 2 m v 2 = 3 2 k T where E i ̅ denotes the average molecular kinetic energy, J; m denotes the molecular mass, kg; v denotes the motion velocity of the molecular, m/s; k denotes the Boltzmann constant, J/K; and T denotes the temperature, K.…”

“…In Materials Studio software, the initial speed of molecular motion was given by the random function method. 27 This method was in accordance with the law of thermodynamics, i.e., the average kinetic energy of the molecules was related to the temperature.…”

Phase transitions and topological defects in discotic liquid crystal droplets with planar anchoring: a Monte Carlo simulation study

“…28 A particularly interesting phenomena arising from the surface-bulk competing interaction for LCs under confinement consists in the formation of topological defects. 29 These regions, where it is not possible to define a preferred orientation for the LC, are interesting not only from a basic scientific perspective, but also for their possible applications in guiding colloidal self-assembly. 30,31 The occurrence of topological defects is associated with the anchoring conditions and the geometry of confinement.…”