RISE Research Institutes of Sweden, Bioscience and Materials, Göteborg, Sweden.
Soft Matter. 2017 Nov 29;13(46):8864-8870. doi: 10.1039/c7sm01910f.
We performed computational screening of effective diffusivity in different configurations of cubes and cuboids compared with spheres and ellipsoids. In total, more than 1500 structures are generated and screened for effective diffusivity. We studied simple cubic and face-centered cubic lattices of spheres and cubes, random configurations of cubes and spheres as a function of volume fraction and polydispersity, and finally random configurations of ellipsoids and cuboids as a function of shape. We found some interesting shape-dependent differences in behavior, elucidating the impact of shape on the targeted design of granular materials.
我们对立方体和长方体在不同构型下的有效扩散率进行了计算筛选，并与球体和椭球体进行了比较。总共生成并筛选了超过 1500 种结构的有效扩散率。我们研究了球体和立方体的简单立方和面心立方晶格、作为体积分数和多分散性函数的立方体和球体的随机构型，以及最后作为形状函数的椭球体和长方体的随机构型。我们发现了一些有趣的、依赖于形状的行为差异，阐明了形状对颗粒材料目标设计的影响。
