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各向同性受限三维小库仑簇中的熔化转变

Melting transitions in isotropically confined three-dimensional small Coulomb clusters.

作者信息

Apolinario S W S, Peeters F M

机构信息

Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Sep;76(3 Pt 1):031107. doi: 10.1103/PhysRevE.76.031107. Epub 2007 Sep 10.

DOI:10.1103/PhysRevE.76.031107
PMID:17930199
Abstract

Molecular dynamic simulations are performed to investigate the melting process of small three-dimensional clusters (i.e., systems with one and two shells) of classical charged particles trapped in an isotropic parabolic potential. The confined particles interact through a repulsive potential. We find that the ground-state configurations for systems with N=6 , 12, 13, and 38 particles interacting through a Coulomb potential are magic clusters. Such magic clusters have an octahedral or icosahedral symmetry and are found to have a large stability against intrashell diffusion leading to an intershell melting transition prior to the intrashell and radial melting process. For systems with two shells a local radial melting of subshells is found at low temperatures resulting in a structural transition leading to an increased symmetry of the ordered system. Using Lindemann's criterion the different melting temperatures are determined and the influence of the screening of the interparticle interaction was investigated. A normal mode analysis is performed and some of the normal modes are found to be determinantal for the melting process.

摘要

进行分子动力学模拟以研究捕获在各向同性抛物线势中的经典带电粒子的小三维团簇(即具有一层和两层壳的系统)的熔化过程。受限粒子通过排斥势相互作用。我们发现,通过库仑势相互作用的具有N = 6、12、13和38个粒子的系统的基态构型是幻数团簇。这种幻数团簇具有八面体或二十面体对称性,并且发现对壳内扩散具有很大的稳定性,从而在壳内和径向熔化过程之前导致壳间熔化转变。对于具有两层壳的系统,在低温下发现子壳的局部径向熔化,导致结构转变,从而使有序系统的对称性增加。使用林德曼判据确定了不同的熔化温度,并研究了粒子间相互作用屏蔽的影响。进行了简正模式分析,发现一些简正模式对熔化过程起决定性作用。

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