Marini-Bettolo-Marconi Umberto, Tarazona Pedro, Cecconi Fabio
Dipartimento di Fisica, Via Madonna delle Carceri, 68032 Camerino (MC), Italy.
J Chem Phys. 2007 Apr 28;126(16):164904. doi: 10.1063/1.2723744.
The authors present a study of the nonequilibrium statistical properties of a one dimensional hard-rod fluid dissipating energy via inelastic collisions and subject to the action of a Gaussian heat bath, simulating an external driving mechanism. They show that the description of the fluid based on the one-particle phase-space reduced distribution function, in principle necessary because of the presence of velocity dependent collisional dissipation, can be contracted to a simpler description in configurational space. Indeed, by means of a multiple-time-scale method the authors derive a self-consistent governing equation for the particle density distribution function. This equation is similar to the dynamic density functional equation employed in the study of colloids, but contains additional terms taking into account the inelastic nature of the fluid. Such terms cannot be derived from a Liapunov generating functional and contribute not only to the relaxational properties, but also to the nonequilibrium steady state properties. A validation of the theory against molecular dynamics simulations is presented in a series of cases, and good agreement is found.
作者展示了一项关于一维硬杆流体非平衡统计特性的研究,该流体通过非弹性碰撞耗散能量,并受到高斯热浴的作用,模拟一种外部驱动机制。他们表明,基于单粒子相空间约化分布函数对流体进行描述,原则上由于存在与速度相关的碰撞耗散是必要的,但可以简化为构型空间中的更简单描述。实际上,作者通过多时间尺度方法推导出了粒子密度分布函数的自洽控制方程。该方程类似于在胶体研究中使用的动态密度泛函方程,但包含考虑流体非弹性性质的附加项。这些项不能从李雅普诺夫生成泛函导出,不仅对弛豫性质有贡献,而且对非平衡稳态性质也有贡献。在一系列案例中给出了该理论与分子动力学模拟的验证,结果发现吻合良好。