耗散粒子动力学中Lees-Edwards边界条件的实施

Imposing LeesEdwards Boundary Conditions in Dissipative Particle Dynamics

摘要:

结合元胞分割法以及改进的velocityVerlet算法讨论了LeesEdwards边界条件在耗散粒子动力学中的实施，并将模拟结果与前人的工作进行了对比分析.所得到的速度、密度、温度、压力以及应力分布等与预期一致，尤其当耗散力系数γ提高到100时，系统中的各参数分布仍然是均匀的.表明高耗散率条件下，在耗散粒子动力学中应用LeesEdwards边界条件仍然有效，笔者提出了与文献［21］不一致的观点.

Abstract:

Considering the cell subdivision method and the modified velocityVerlet algorithm, the implementation of LeesEdwards boundary conditions for DPD method was investigated. The simulated results show that the profiles of velocities, densities, temperatures, pressures and stresses agree well with the expected. Furthermore, when dissipative coefficient γ was increased to 100, the velocity profile in the system was homogeneous, indicating that the LE boundary conditions still valid for higher dissipation rate. Viewpoints different from Ref ［21］ are proposed.