Bishop Marvin, Whitlock Paula A
Department of Mathematics, Manhattan College, Manhattan College Parkway, Riverdale, New York 10471, USA.
Department of Computer and Information Sciences, Brooklyn College, 2900 Bedford Avenue, Brooklyn, New York 11210, USA.
J Chem Phys. 2019 Apr 21;150(15):154506. doi: 10.1063/1.5086169.
Additive asymmetric binary mixtures of hard hyperspheres in four and five dimensions are investigated by Monte Carlo simulations. These investigations probe systems with diameter ratios of 0.4 and 0.5 in which the larger hyperspheres are dominant at a mole fraction of 3/4. At the lower densities, the equations of state compare well with molecular dynamics data and a variety of theoretical predictions. When the mixture enters the metastable, two-phase regime, the smaller hyperspheres exhibit unusual phenomena as the system density increases. To understand this behavior, the mean-square displacement at equilibrium from initial lattice positions, the various pair correlation functions, and occupancy numbers are calculated. In addition, the characteristics of an initially demixed system are studied.
通过蒙特卡罗模拟研究了四维和五维中硬超球体的加性非对称二元混合物。这些研究探索了直径比为0.4和0.5的系统，其中较大的超球体在摩尔分数为3/4时占主导地位。在较低密度下，状态方程与分子动力学数据以及各种理论预测吻合良好。当混合物进入亚稳的两相区时，随着系统密度的增加，较小的超球体表现出异常现象。为了理解这种行为，计算了从初始晶格位置起平衡时的均方位移、各种对关联函数和占据数。此外，还研究了初始混合系统的特性。
