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Modeling of crack growth under mixed-mode loading by a molecular dynamics method and a linear fracture mechanics approach

机译:分子动力学法和线性断裂力学方法模拟混合模式载荷下裂纹增长的建模

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Atomistic simulations of the central crack growth process in an infinite plane medium under mixed-mode loading using Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), a classical molecular dynamics code, are performed. The inter-atomic potential used in this investigation is the Embedded Atom Method (EAM) potential. Plane specimens with an initial central crack are subjected to mixed-mode loadings. The simulation cell contains 400,000 atoms. The crack propagation direction angles under different values of the mixity parameter in a wide range of values from pure tensile loading to pure shear loading in a wide range of temperatures (from 0.1 K to 800 K) are obtained and analyzed. It is shown that the crack propagation direction angles obtained by molecular dynamics coincide with the crack propagation direction angles given by the multi-parameter fracture criteria based on the strain energy density and the multi-parameter description of the crack-tip fields. The multi-parameter fracture criteria are based on the multi-parameter stress field description taking into account the higher order terms of the Williams series expansion of the crack tip fields.
机译:进行了使用大规模原子/分子量平行模拟器(LAMMP),经典分子动力学代码的混合模式加载下的无限平面介质中的中央裂纹生长过程的原子模拟。本研究中使用的原子间潜力是嵌入式原子方法(EAM)电位。具有初始中央裂缝的平面样本进行混合模式载荷。仿真单元包含400,000个原子。获得并分析并分析从纯拉伸载荷到纯剪切负载的宽范围值的宽范围值的混合参数不同值下的裂纹传播方向角。结果表明,通过分子动力学获得的裂缝传播方向角度与基于裂纹能量密度的多参数骨折标准和裂缝尖端的多参数描述的多参数裂缝标准给出的裂缝传播方向角度。多参数骨折标准基于多参数应力场描述,考虑到裂缝尖端的威廉姆斯系列扩展的较高顺序。

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