Molecular-dynamics simulation of the smectic-A*twist grain-boundary phase

Michael P. Allen, Mark A. Warren, Mark R. Wilson
1998 Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics  
In this paper we present the results of extensive molecular-dynamics simulations of a model of liquid crystals, in which a twist is imposed on the direction of preferred orientation. On quenching the system from a twisted nematic phase to a state point within the smectic-A phase, we observe a structure which corresponds closely to that of the smectic-A* twist grain-boundary phase. We investigate this structure by means of director and structure factor profiles, and also develop a technique for
more » ... utomatically locating screw dislocations. Applying this technique to the configurations from our simulations, we obtain a defect distribution which is in qualitative agreement with theoretical predictions.
doi:10.1103/physreve.57.5585 fatcat:eyyibsyldvbwhowclqyeowbbgm