With the development of liquid crystalline backflow micro-driving
the physical parameters of driving media get more and more attention
as a significant factor affecting the driving performance. In this article
research object is a new thermotropic liquid crystal material 82832
and the research target is to simulate and calculate the physical parameters of the material
where the phase transition process is studied by molecular dynamics method. A numerical model was established
the simulation parameters are determined by using the Gay-Berne force field suitable for molecular dynamics simulation of liquid crystal phase. The molecular arrangements at the dimensionless temperatures of 0.75
0.85 and 0.95 are obtained
and the macroscopic phase transition temperature for 82832 is obtained. The simulation results are in good agreement with the experimental results of DSC and parameter measurement experiments. The research results of this paper lay a theoretical foundation to solve the physical parameters of complex liquid crystal materials by molecular dynamics method.