Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2021-03-28 , DOI: 10.1016/j.fluid.2021.113033 George Ruppeiner , Peter Mausbach , Helge-Otmar May
The three-dimensional Gaussian core model (GCM) for soft-matter systems has repulsive interparticle interaction potential with the distance between a pair of atoms, and the positive constants and setting the energy and length scales, respectively. is mostly soft in character, without the typical hard core present in fluid models. We work out the thermodynamic Ricci curvature scalar for the GCM, with particular attention to the sign of which, based on previous results, is expected to be positive/negative for microscopic interactions repulsive/attractive. Over most of the thermodynamic phase space, is found to be positive, with values of the order of . However, for low densities and temperatures, the GCM potential takes on the character of a hard-sphere repulsive system, and is found to have an anomalous negative sign. Such a sign was also found earlier in inverse power law potentials in the hard-sphere limit, and seems to be a persistent feature of hard-sphere models.
中文翻译:
高斯核心模型流体的热力学几何
软物质系统的三维高斯核心模型 (GCM) 具有排斥粒子间相互作用的潜力 和 一对原子之间的距离,以及正常数 和 分别设置能量和长度尺度。 主要是柔软的,没有流体模型中典型的硬核。我们计算出热力学 Ricci 曲率标量 对于 GCM,特别注意 根据先前的结果,预计对排斥/有吸引力的微观相互作用是积极的/消极的。在大部分热力学相空间中, 被发现是正的,值的数量级 . 然而,对于低密度和温度,GCM 势具有硬球排斥系统的特征,并且发现有异常负号。早先在硬球极限的逆幂律势中也发现了这样的符号,并且似乎是硬球模型的一个持久特征。