Durán-Olivencia F J, Gordillo M C
Departamento de Sistemas Físicos, Químicos y Naturales, Facultad de Ciencias Experimentales, Universidad Pablo de Olavide, Carretera de Utrera, km 1, 41013 Sevilla, Spain.
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Jun;79(6 Pt 1):061111. doi: 10.1103/PhysRevE.79.061111. Epub 2009 Jun 16.
Isothermal-isobaric simulations on the ordering behavior of hard spheres upon confinement are presented. The radii of the confining cylinders go from 1.1 to 2 in units of the diameters of the hard spheres adsorbed. In all the range of pressures considered the spheres were located in concentric layers, as many as the radius of the hard cylinder would permit. When the pressure increases, the hard spheres go from being loosely arranged to the formation of ordered structures. This change is marked in all cases by a distinct break in the density of spheres in a narrow pressure range. When the tube radius is smaller than 1.5, the high-pressure ordering is determined by the number of coplanar spheres you can have within a circle of radius equal to that of the confining tube. For wider tubes, the change upon compression is determined by the formation of defected two-dimensional triangular lattices wrapped to fit inside the particular cylinder we are considering.
本文展示了关于受限硬球有序行为的等温等压模拟。受限圆柱的半径以吸附硬球直径为单位，从1.1变化到2。在所有考虑的压力范围内，球体位于同心层中，其数量与硬圆柱半径所允许的数量相同。当压力增加时，硬球从松散排列转变为形成有序结构。在所有情况下，这种变化在狭窄压力范围内由球体密度的明显突变来标记。当管半径小于1.5时，高压下的有序排列由半径等于受限管半径的圆内共面球体的数量决定。对于更宽的管，压缩时的变化由包裹以适配我们所考虑的特定圆柱内部的有缺陷二维三角晶格的形成决定。
