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二维下威克斯-钱德勒-安德森体系的两步熔化

Two-step melting of the Weeks-Chandler-Anderson system in two dimensions.

作者信息

Khali Shubhendu Shekhar, Chakraborty Dipanjan, Chaudhuri Debasish

机构信息

Department of Physical Science, Indian Institute Of Science Education and Research Mohali, Punjab 140306, India.

出版信息

Soft Matter. 2021 Mar 28;17(12):3473-3485. doi: 10.1039/d0sm01484b. Epub 2021 Mar 3.

Abstract

We present a detailed numerical simulation study of a two-dimensional system of particles interacting via the Weeks-Chandler-Anderson potential, the repulsive part of the Lennard-Jones potential. With the reduction of density, the system shows a two-step melting: a continuous melting of solid to hexatic phase, followed by a first-order melting of hexatic to liquid. The solid-hexatic melting is consistent with the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKTHNY) scenario and shows dislocation unbinding. The first-order melting of the hexatic to the liquid phase, on the other hand, displays defect-strings formed at the hexatic-liquid interfaces. We present a detailed phase diagram in the density-temperature plane.

摘要

我们展示了一个二维粒子系统的详细数值模拟研究,该系统通过威克斯 - 钱德勒 - 安德森势(即 Lennard - 琼斯势的排斥部分)相互作用。随着密度降低,系统呈现出两步熔化过程:从固体到六方相的连续熔化,随后是从六方相到液相的一级熔化。固 - 六方熔化符合贝雷津斯基 - 科斯特利茨 - 索利斯 - 哈珀林 - 尼尔森 - 杨(BKTHNY)情景,并显示出位错解离。另一方面,从六方相到液相的一级熔化在六方 - 液界面处显示出形成的缺陷弦。我们给出了密度 - 温度平面上的详细相图。

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