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直线型窄通道中介观受限二维库仑晶体的堆积与熔化

Packing and melting of mesoscopically confined two-dimensional Coulomb crystals in straight narrow channels.

作者信息

Liu Kuo-An, I Lin

机构信息

Department of Physics and Center for Complex Systems, National Central University, Jhongli, Taiwan 32001, Republic of China.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Oct;82(4 Pt 1):041504. doi: 10.1103/PhysRevE.82.041504. Epub 2010 Oct 27.

Abstract

The microstructure and melting dynamics of the two-dimensional mesoscopic Coulomb crystal with 1/r-type mutual interaction force and parabolic transverse confining potential, under different degrees of incommensurability, are investigated through molecular-dynamics simulation. To tune the degree of incommensurability, N(a) extra particles are added into the commensurate uniform triangular lattice which has seven-layer structure and 40 particles in each layer with the periodic longitudinal boundary condition, until the system reaches another commensurate packing with eight-layer structure at N(a)=40. It is found that the increasing incommensurability with the increasing N(a) or 40-N(a) gradually deteriorates the structural order with the presence of intrinsic defects and the anisotropic bond-length distribution, except for the defect-free configurations at a few magic N(a)'s. The system prefers the seven- and the eight-layer single structures through the entire crystal for the low- and the high-N(a) regimes, respectively, and the configurations with seven- and eight-layer domain mixtures for 18≤N(a)≤24. The increasing strain or the worse local particle interlocking around the intrinsic defects with the increasing incommensurability also causes the easier structural rearrangement associated with the easier particle hopping and the earlier onset of melting transition. The transverse confinement suppresses the transverse motion, induces nonuniform melting, and sustains the layered structure after melting.

摘要

通过分子动力学模拟,研究了具有1/r型相互作用力和抛物线横向限制势的二维介观库仑晶体在不同失配度下的微观结构和熔化动力学。为了调节失配度,在具有七层结构且每层有40个粒子并采用周期性纵向边界条件的均匀三角晶格中添加N(a)个额外粒子,直到系统在N(a)=40时达到另一种具有八层结构的均匀堆积。研究发现,随着N(a)或40-N(a)的增加,失配度增大,除了在一些特定神奇N(a)值下的无缺陷构型外,固有缺陷的存在和各向异性键长分布会逐渐破坏结构有序性。在低N(a)区域,系统在整个晶体中更倾向于七层单结构;在高N(a)区域,系统更倾向于八层单结构;而在18≤N(a)≤24时,系统为七层和八层畴混合构型。随着失配度增加,固有缺陷周围的应变增大或局部粒子互锁变差,这也导致与更容易的粒子跳跃和更早开始的熔化转变相关的更容易的结构重排。横向限制抑制了横向运动,导致非均匀熔化,并在熔化后维持层状结构。

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