Molecular dynamics/xfem coupling by a three-dimensional extended bridging domain with applications to dynamic brittle fracture
Molecular dynamics/xfem coupling by a three-dimensional extended bridging domain with applications to dynamic brittle fracture
复制标题
DOI：
10.1615/intjmultcompeng.2013005838
复制
发表时间：
2013-11
影响因子：
1.4
通讯作者：
H. Talebi;M. Silani;S. Bordas;P. Kerfriden;T. Rabczuk
中科院分区：
文献类型：
--
作者：
H. Talebi;M. Silani;S. Bordas;P. Kerfriden;T. Rabczuk
我们提出了一种将三维连续域与分子动力学域耦合的方法来模拟动力学中的裂纹扩展。连续域用扩展有限元法处理，以处理不连续点。该耦合基于桥接域法（BDM），该方法混合了连续体和原子能量。用Lennard-Jones势来模拟原子域的相互作用，用Cauchy-Born规则来计算连续统域的材料行为。据我们所知，这是第一次报道三维扩展桥接域方法。为了证明该方法的适用性，对裂纹前缘周围存在原子区域的三维裂纹问题进行了求解。结果表明，该方法能够处理裂纹扩展和位错形核。
We propose a method to couple a three-dimensional continuum domain to a molecular dynamics (MD) domain to simulate propagating cracks in dynamics. The continuum domain is treated by an extended finite element method, to handle the discontinuities. The coupling is based on the Bridging Domain Method (BDM) which blends the continuum and atomistic energies. The Lennard-Jones potential is used to model the interactions in the atomistic domain and the Cauchy-Born rule is used to compute the material behaviour in the continuum domain. To our knowledge, it is the first time that a three dimensional extended bridging domain method is reported. To show the suitability of the proposed method, a three-dimensional crack problem with an atomistic region around the crack front is solved. The results show that the method is capable of handling crack propagation and dislocation nucleation.