Concurrent multiscale modeling of three dimensional crack and dislocation propagation
Concurrent multiscale modeling of three dimensional crack and dislocation propagation
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DOI：
10.1016/j.advengsoft.2014.09.016
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发表时间：
2015-02-01
影响因子：
4.8
通讯作者：
Rabczuk, Timon
中科院分区：
文献类型：
--
作者：
Talebi, Hossein;Silani, Mohammad;Rabczuk, Timon
本文提出了一种在原子水平上模拟三维裂纹和位错的并行耦合方案。该方案通过桥接域法（BDM）将分子动力学与扩展有限元法（XFEM）耦合。该方法基于应变能在一个区域（桥接域）上的线性加权，从而节省了整个系统的能量。为了计算材料在连续尺度下的行为，采用了柯西-伯恩方法。在实现中进行了许多改进，使该方法适用于材料的一般情况和数百万自由度的存在。为了证明该方法的适用性和有效性，对两个三维裂纹实例进行了建模。结果表明，该方法及其实现能够处理三维空间中的位错和裂纹扩展。(C) 2014 Civil-Comp Ltd和Elsevier Ltd版权所有。
In this manuscript a concurrent coupling scheme is presented to model three dimensional cracks and dislocations at the atomistic level. The scheme couples molecular dynamics to extended finite element method (XFEM) via the Bridging Domain Method (BDM). This method is based on linear weighting of the strain energy over a region (the bridging domain) which conserves the energy in the entire system. To compute the material behavior in the continuum scale, the Cauchy-Born method is used. Many improvements have been made in the implementation to make the method work for the general case of materials and presence of multi-million degrees of freedom. To show the applicability and productivity of the proposed method, two three dimensional crack examples were modeled. The results show that the method and the corresponding implementation are capable of handling dislocation and crack propagation in the three dimensional space. (C) 2014 Civil-Comp Ltd and Elsevier Ltd. All rights reserved.