论文标题
用于分子动力学的高级恒温器
Advanced Thermostats for Molecular Dynamics
论文作者
论文摘要
在严格的Langevin动力学底部提出了用于分子动力学的晚期恒温器。由于后者详细说明了子系统浴的相互作用，因此通过相关摩擦张量来描述浴室各向异性和不均匀性。开发的模型适当地反映了子系统演化的相对论动力学以及非线性摩擦，这对于在升高温度下具有较大动量的快速颗粒可能发生。
Advanced thermostats for molecular dynamics are proposed on the base of the rigorous Langevin dynamics. Because the latter accounts for the subsystem-bath interactions in details, the bath anisotropy and nonuniformity are described via the relevant friction tensor. The developed model reflects properly the relativistic dynamics of the subsystem evolution as well as the nonlinear friction, which can occur for fast particles with large momenta at elevated temperature.
