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首页> 外文期刊>The Journal of Chemical Physics >Investigation of morphology of an enneadic particle system confinedonto a spherical surface through Monte Carlo simulation
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Investigation of morphology of an enneadic particle system confinedonto a spherical surface through Monte Carlo simulation

机译：通过蒙特卡洛模拟研究球状粒子系统局限于球形表面的形貌

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The morphology of an enneadic particle system confined to a spherical surface is investigatedthrough Monte Carlo simulation. The model assumes nine hard spheres adsorbed onto a sphericalsurface of the same diameter. In addition to hard core repulsion, these nine particles interact throughCoulomb repulsion or Lennard-Jones potential. At a low enough temperature, the ordered structureof the enneadic particle system exhibits a symmetric arrangement corresponding to the D3h pointgroup and is similar to hexagonal close packing. The nine particles can be divided into three groups,and each group occupies an equilateral triangle along with the same principle axis. The top andbottom triangles form the mirror image and the middle triangle of a different size rotates 60° fromthe other two triangles. This symmetry is independent of interaction potentials but the twointeraction potentials deform the ordered structure in a slightly different way. From the analysis ofmonomers of inertia, we notice that Coulombic particles compress the ordered morphology to anoblate shape, whereas Lennard-Jones particles display an elongated prolate morphology. By use ofthe analysis of a simple model, we find that these fine structures tend to lower the total energy ofthe system. Moreover, the calculation based on the temperature dependent heat capacity of manynoninteracting enneadic clusters suggests that large interaction strengths are essential to sustain thehighly symmetric ordered structure.
机译：通过蒙特卡洛模拟研究了局限于球形表面的颗粒状颗粒体系的形貌。该模型假定九个硬球吸附到相同直径的球面上。除硬核排斥外，这9个粒子还通过库仑排斥或Lennard-Jones势相互作用。在足够低的温度下，腺微粒体系的有序结构表现出与D3h点组相对应的对称排列，并且类似于六方密堆积。九个粒子可分为三组，每组占据一个等边三角形且具有相同的主轴线。顶部和底部三角形形成镜像，并且大小不同的中间三角形与其他两个三角形旋转60°。这种对称性与相互作用势无关，但是两个相互作用势以稍微不同的方式使有序结构变形。通过对惯性单体的分析，我们注意到库仑颗粒将有序形态压缩为扁圆形状，而伦纳德·琼斯粒子则显示出细长的扁长形形态。通过对简单模型的分析，我们发现这些精细的结构往往会降低系统的总能量。而且，基于许多非相互作用的簇状簇的温度相关的热容的计算表明，大的相互作用强度对于维持高度对称的有序结构是必不可少的。

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