关于旋转硬椭球的phase diagram的进一步细节
Further details on the phase diagram of hard ellipsoids of revolution
摘要：
在最近的工作中，我们重新审视了硬旋转椭球（球体）的相图副本交换蒙特卡罗模拟。这是通过设置随机初始构型来完成的，并且允许确认对于大的各向异性在高密度下形成sm2晶体结构[Phys.Rev.E75，020402（2007）]，并且对于小的各向异性在拉伸fcc下形成sm2晶体结构。在这项工作中，我们采用了相同的技术，但将起始细胞设置为具有最大已知堆积密度的sm2晶体结构[Phys.Rev.Lett. 92，255506（2004）]。这个过程产生了一个非常丰富的行为准球形扁长岩和prolates。这些系统，从低到高的压力，表现出以下阶段：各向同性流体，塑性固体，拉伸fcc固体，和sm2固体。前三个跃迁是一阶跃迁，而最后一个跃迁是微妙的，可能是高阶跃迁。这张照片与具有能够产生最大可实现密度的sm2结构的事实一致。
英文摘要：
In recent work we revisited the phase diagram of hard ellipsoids of revolution (spheroids) by means of replica exchange Monte Carlo simulations. This was done by setting random initial configurations, and allows to confirm the formation of sm2 crystal structures at high densities [Phys. Rev. E 75, 020402 (2007)] for large anisotropies and stretched-fcc for small anisotropies. In this work we employed the same technique but setting the starting cells as sm2 crystal structures having the maximum known packing density [Phys. Rev. Lett. 92, 255506 (2004)]. This procedure yields a very rich behavior for quasi-spherical oblates and prolates. These systems, from low to high pressures, show the following phases: isotropic fluid, plastic solid, stretched-fcc solid, and sm2 solid. The first three transitions are first order, whereas the last one is a subtle, probably high order transition. This picture is consistent with the fact of having the sm2 structure capable of producing the maximally achievable density.
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