A dissipative particle dynamics method for modeling the geometrical packing of filler particles in polymer composites
A dissipative particle dynamics method for modeling the geometrical packing of filler particles in polymer composites
复制标题
DOI：
10.1063/1.1322636
复制
发表时间：
2000-12-08
影响因子：
4.4
通讯作者：
Windle, AH
中科院分区：
文献类型：
--
作者：
Elliott, JA;Windle, AH
提出了一种用于模拟球形和非球形颗粒的多分散混合物的几何堆积的方法，这些颗粒是用于制造聚合物复合材料的填料颗粒的模型。该技术是基于在恒定的温度和压力下的熔融软球的合奏耗散动力学的计算。验证后，在低压下的方法与分析状态方程的硬球的单分散和二元混合物的比较，熔融软球立方体的随机堆积进行了研究。然后检查包装立方体与不同大小的球体一起的效果，目的是了解如何最大限度地减少含有角颗粒的复合材料中的空隙空间的量。在一种情况下，在立方体-球体混合物中观察到熵驱动的分层。(C)2000年美国物理学会。[S0021- 9606（00）50846-0]。
A method is presented for modeling the geometrical packing of polydisperse mixtures of both spherical and nonspherical particles, which are models for filler particles used in the manufacture of polymer composites. The technique is based on the calculation of the dissipative dynamics of an ensemble of fused soft spheres at constant temperature and pressure. After validation of the method at low pressures by comparison with analytical equations of state for monodisperse and binary mixtures of hard spheres, the random packing of fused soft sphere cubes was studied. The effect of packing cubes together with spheres of varying size was then examined, with the aim of developing an understanding of how to minimize the amount of void space in composites containing angular particles. In one case, entropically driven demixing was observed in a cube-sphere mixture. (C) 2000 American Institute of Physics. [S0021- 9606(00)50846-0].