论文标题
Boltzmann的H功能的检查:维度和互动敏感性依赖性,以及对H Theorem的评论
Examination of Boltzmann's H-Function: Dimensionality and Interaction Sensitivity Dependence, and a comment on his H-Theorem
论文作者
论文摘要
鲍尔茨曼(Boltzmann)的H Theorem于150年前以H功能为名,是他的名字,是最著名的科学定理之一,为发展非平衡统计力学的发展铺平了道路。然而,在现实系统中用H(t)表示H功能的定量研究相对较少,因为很难通过分析获得时间依赖性动量分布。同样,较早的尝试是通过Boltzmann动力学方程式解决的,这很难。在这里,我们通过直接的分子动力学模拟和分析理论研究H(t)的时间依赖性。我们通过使用H功能H(T)探测非平衡松弛对相互作用潜力和维度的敏感性。我们在所有三个维度中评估了H(t)的三个不同电位,发现它对这些因素表现出了令人惊讶的强烈敏感性。 H(t)的放松在1D中很长,但在3D中短。我们首次使用Fokker-Planck方程的溶液来获得H(t)的闭合形式的分析表达,以进行速度空间概率分布,并将其预测与仿真结果进行比较。有趣的是,当采用截然不同的初始非平衡条件时,发现H(t)表现出线性响应。讨论了H功能与Clausius的熵定理的经常引用的关系。
Boltzmann's H-Theorem, formulated 150 years ago in terms of H-function that also bears his name, is one of the most celebrated theorems of science and paved the way for the development of nonequilibrium statistical mechanics. Nevertheless, quantitative studies of the H-function, denoted by H(t), in realistic systems are relatively scarce because of the difficulty of obtaining the time-dependent momentum distribution analytically. Also, the earlier attempts proceeded through the solution of Boltzmann's kinetic equation, which was hard. Here we investigate, by direct molecular dynamics simulations and analytic theory, the time dependence of H(t). We probe the sensitivity of nonequilibrium relaxation to interaction potential and dimensionality by using the H-function H(t). We evaluate H(t) for three different potentials in all three dimensions and find that it exhibits surprisingly strong sensitivity to these factors. The relaxation of H(t) is long in 1D, but short in 3D. We obtain, for the first time, a closed-form analytic expression for H(t) using the solution of the Fokker-Planck equation for the velocity space probability distribution and compare its predictions with the simulation results. Interestingly, H(t) is found to exhibit linear response when vastly different initial nonequilibrium conditions are employed. The oft-quoted relation of H-function with Clausius's entropy theorem is discussed.