USING DISSIPATIVE PARTICLE DYNAMICS THERMOSTAT FOR SIMULATION OF LIQUID CRYSTALS

摘要

@@Dissipative Particle Dynamics1(DPD) has been widely used in soft matter simulation in recent years. The main advantage of DPD is that DPD can not only model a large time scale behavior but also conserve the hydrodynamic interactions, and therefore describe Navier Stokes behavior of melts. DPD consists mainly of two parts: soft particle interaction and a momentum conserved stochastic thermostat. Previous study2 has shown that the two parts can act independently. In our present work, we successfully extend the DPD thermostat to the liquid crystal system with Gay-Berne potential for nonspherical objects. Our results show that DPD thermostat is the best choice for Gay-Berne liquid crystal model system, especially in the condition where hydrodynamic interaction is important such as large scale collective dynamics and non-equilibrium simulation.