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Entropy and thermalization of particles in liquids

机译:液体中颗粒的熵和热化

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We describe the entropy of liquids in the context of kinetic theory of dense gases. In the equilibrium regime the statistical entropy has an explicit dependence of the parir correlation function. In order to test the entropy functiona,we use the Morese potential to reproduce experimentalpair correlation functions ofliquid sodium,using the molecular dynamics technique. With this information,we can compare the theoretical entropy with experimental thermodynamic data.On the other hand,from the nonequilibrium pointof view,we discuss the entropy-increase-law anlayzing the entropy balance equation. The entropy production due to themolecular diffusion processes displays an upper bound which is proportional to the so-called Fisher information. In the regime at which the one-particle distribution function only depends on particles momentum and time,we show that the factor of proportionality which appears in the upper bound is essentially the time integral of the force autocorrelation function between particles. Besides the parameters of the interparticle potential found through molecular dynamics simulations,we find the time scale of particles' thermalization and therefore the approach to equilibrium for the system.
机译:我们在稠密气体动力学理论的背景下描述液体的熵。在平衡状态下,统计熵与parir相关函数有明确的依赖关系。为了检验熵函数a,我们利用分子动力学技术利用莫尔斯电势重现了液体钠的实验对相关函数。利用这些信息,我们可以将理论熵与实验热力学数据进行比较。另一方面,从非平衡的角度出发,我们讨论了熵增律对熵平衡方程的解析。由于分子扩散过程而产生的熵显示出一个上限,该上限与所谓的费舍尔信息成比例。在单粒子分布函数仅取决于粒子动量和时间的情况下,我们表明出现在上限的比例因子本质上是粒子之间力自相关函数的时间积分。除了通过分子动力学模拟发现的粒子间电势参数外,我们还可以找到粒子热化的时间尺度,从而找到系统的平衡途径。

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