Application of molecular dynamics simulations for the generation of dense concrete mesoscale geometries
Application of molecular dynamics simulations for the generation of dense concrete mesoscale geometries
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DOI：
10.1016/j.compstruc.2015.06.008
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发表时间：
2015-10-01
影响因子：
4.7
通讯作者：
Unger, Joerg F.
中科院分区：
文献类型：
--
作者：
Titscher, Thomas;Unger, Joerg F.
本文将多分散球粒子问题应用于有限尺寸混凝土试件的细观几何。现实的球直径分布来自混凝土级配曲线。介绍了一种事件驱动的生长粒子分子动力学模拟方法。与目前广泛使用的随机序贯添加算法相比，该算法在高体积分数下可实现更密集的骨料堆积，节省了计算时间，且最小颗粒间距对最大骨料含量影响很大.在有限元模拟中，对几何体进行网格划分时，获得无畸变的单元是至关重要的。该算法最大限度地提高了这个值，并产生网状混凝土细观结构与超过70%的骨料含量。(C)2015爱思唯尔有限公司版权所有。
The problem of polydisperse sphere pacicings is applied to concrete mesoscale geometries in finite sized specimens. Realistic sphere diameter distributions are derived from concrete grading curves. An event-driven molecular dynamics simulation using growing particles is introduced. Compared to the widely used random sequential addition algorithm, it reaches denser aggregate packings and saves computation time at high volume fractions.A minimal distance between particles strongly influences the maximum aggregate content. It is essential to obtain undistorted elements when meshing the geometry for finite element simulations. The algorithm maximizes this value and produces meshable concrete mesostructures with more than 70% aggregate content. (C) 2015 Elsevier Ltd. All rights reserved.