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硬盘二维熔化的大规模模拟

Large-scale simulations of the two-dimensional melting of hard disks.

作者信息

Mak C H

机构信息

Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Jun;73(6 Pt 2):065104. doi: 10.1103/PhysRevE.73.065104. Epub 2006 Jun 7.

Abstract

Large-scale computer simulations with more than four million particles have been performed to study the melting transition in a two-dimensional hard disk fluid. The van der Waals loop previously observed in the pressure-density relationship of smaller simulations is shown to disappear systematically with increase in sample size, but even with these large system sizes, the freezing transition still exhibits what appears to be weakly first-order behavior, though the scaling of the bond orientation order is consistent with the Halperin-Nelson-Young picture. Above this freezing transition region, scaling analysis of the translational order yields a lower bound for the melting density that is much higher than previously thought and provides compelling evidence that the solid phase first melts into a hexatic phase via a continuous transition, before it goes into the isotropic phase.

摘要

已进行了包含超过四百万个粒子的大规模计算机模拟,以研究二维硬盘流体中的熔化转变。先前在较小模拟的压力-密度关系中观察到的范德华回路显示随着样本大小的增加而系统性消失,但即使对于这些大系统规模,冻结转变仍表现出似乎是弱一级行为,尽管键取向序的标度与哈尔珀林-尼尔森-杨模型一致。在这个冻结转变区域之上,平移序的标度分析得出的熔化密度下限比先前认为的要高得多,并提供了令人信服的证据,表明固相首先通过连续转变熔化为六方相,然后才进入各向同性相。

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