论文标题
散装硬球体的范霍夫动力学中的动态衰减和超绝热力
Dynamic Decay and Superadiabatic Forces in the van Hove Dynamics of Bulk Hard Sphere Fluids
论文作者
论文摘要
我们使用事件驱动的布朗动力学模拟和动态测试粒子理论研究了布朗硬球的范霍夫功能的动力衰减。相关的衰减机制包括自我粒子的解解，相关壳的衰减和壳漂移。与Lennard-Jones系统的结果进行比较，表明这些机制的通用性是致密的液体。我们根据Rosenfeld功能进行自我相互作用校正，使用动力学密度功能理论。使用最近的功率功能近似分析超绝热力。功率功能可产生经过改进的爱因斯坦长期自扩散系数，与仿真数据吻合。
We study the dynamical decay of the van Hove function of Brownian hard spheres using event-driven Brownian dynamics simulations and dynamic test particle theory. Relevant decays mechanisms include deconfinement of the self particle, decay of correlation shells, and shell drift. Comparison to results for the Lennard-Jones system indicates the generality of these mechanisms for dense overdamped liquids. We use dynamical density functional theory on the basis of the Rosenfeld functional with self interaction correction. Superadiabatic forces are analysed using a recent power functional approximation. The power functional yields a modified Einstein long-time self diffusion coefficient in good agreement with simulation data.
