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三价和五价斑片状粒子的相图。

Phase diagram of trivalent and pentavalent patchy particles.

机构信息

Dipartimento di Fisica, Sapienza-Università di Roma, Piazzale Aldo Moro 5, 00185 Roma, Italy.

出版信息

J Phys Condens Matter. 2012 Feb 15;24(6):064113. doi: 10.1088/0953-8984/24/6/064113. Epub 2012 Jan 25.

DOI:10.1088/0953-8984/24/6/064113
PMID:22277769
Abstract

We compute the equilibrium phase diagram of two simple models for patchy particles with three and five patches in a very broad range of pressure and temperature. The phase diagram presents low-density crystal structures which compete with the fluid phase. The phase diagram of the five-patch model shows re-entrant melting, in analogy with the previously studied four-patch case, a metastable gas-liquid critical point and a stable, high-density liquid. The three-patch model shows a stable gas-liquid critical point and, in the region of temperatures where equilibration is numerically feasible, a stable liquid phase, suggesting the possibility that in this small valence model the liquid retains its thermodynamic stability down to the vanishing range limit.

摘要

我们计算了两种具有三个和五个补丁的简单模型在非常宽的压力和温度范围内的平衡相图。相图呈现出低密度晶体结构,与流体相竞争。五补丁模型的相图显示出再入熔化,类似于先前研究的四补丁情况,亚稳的气-液临界点和稳定的高密度液体。三补丁模型显示出稳定的气-液临界点,并且在数值上可行的温度区域内,存在稳定的液相,这表明在这个小价模型中,液相可能一直保持其热力学稳定性,直到极限范围消失。

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Phase diagram of trivalent and pentavalent patchy particles.三价和五价斑片状粒子的相图。
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引用本文的文献

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Effect of Patch Area and Interaction Length on Clusters and Structures Formed by One-Patch Particles in Thin Systems.薄片系统中斑块面积和相互作用长度对单斑块粒子形成的簇和结构的影响。
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How to simulate patchy particles.如何模拟斑状颗粒。
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