Schwierz Nadine, Nielaba Peter
Physik Department, Technische Universität München, 85748 Garching, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Sep;82(3 Pt 1):031401. doi: 10.1103/PhysRevE.82.031401. Epub 2010 Sep 3.
The structural behavior of hard spheres interacting with repulsive (screened Coulomb) interaction in narrow constrictions is investigated using Brownian dynamics simulations. The system of particles adapts to the confining potential and the interaction energies by a self-consistent arrangement of the particles. It results in the formation of planes throughout the three-dimensional channel. The presence of hard walls leads to structural deviations from the unbounded (infinite) crystal. The arrangement of the particles is perturbed by diffusion and an external driving force leading to a density gradient along the channel. The particles accommodate to the density gradient by reducing the number of planes if it is energetically favorable. This reduction in the number of planes is analogous to the reduction in the number of layers in two-dimensional systems. The influence of a self-organized order within the system is reflected in the velocity of the particles and their diffusive behavior.
利用布朗动力学模拟研究了在狭窄约束条件下,具有排斥性(屏蔽库仑)相互作用的硬球的结构行为。粒子系统通过粒子的自洽排列来适应约束势和相互作用能。这导致在整个三维通道中形成平面。硬壁的存在导致结构偏离无界(无限)晶体。粒子的排列受到扩散和外部驱动力的扰动,从而导致沿通道的密度梯度。如果能量有利,粒子通过减少平面数量来适应密度梯度。平面数量的这种减少类似于二维系统中层数的减少。系统内自组织有序的影响反映在粒子的速度及其扩散行为中。