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首页> 外文期刊>Engineering Fracture Mechanics >Molecular dynamics modeling of crack propagation in titanium alloys by using an experiment-based Monte Carlo model
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Molecular dynamics modeling of crack propagation in titanium alloys by using an experiment-based Monte Carlo model

机译：基于实验蒙特卡罗模型的钛合金裂纹繁殖的分子动力学建模

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摘要

Based on extensive experiments at the microscopic level, it was found that the grain sizes of TA1 titanium alloys exhibited a statistical nature, and in turn, the resultant distribution was achieved by a data fit. The Monte-Carlo method was employed to obtain a model size for molecular dynamics simulations. The melting point and lattice constants of the alloys were calculated using LAMMPS software with the model dimension. A comparison of numerical results and published experimental results was presented to demonstrate that such a method provides a reasonable domain that is beneficial to molecular dynamics modeling. Afterwards, a cohesive element model along the effective simulation region was established, and then the relationship between the traction and crack opening displacement for alloys was presented. The characteristic parameters obtained from the resultant curve were utilized to embed cohesive elements, and the real-life crack propagation behavior was further mimicked through finite element analysis. The results showed that the predicted fracture toughness agreed well with the experimental data, highlighting the suitability of the new analytical approach for predicting crack growth behavior. (C) 2017 Elsevier Ltd. All rights reserved.
机译：基于微观水平的广泛实验，发现TA1钛合金的晶粒尺寸表现出统计性质，又通过数据配合实现所得分布。使用Monte-Carlo方法来获得用于分子动力学模拟的模型尺寸。使用具有模型尺寸的LAMMPS软件计算合金的熔点和晶格常数。提出了数值结果和公开的实验结果的比较，以证明这种方法提供了有利于分子动力学建模的合理结构域。然后，建立了沿着有效模拟区域的粘结元素模型，然后提出了牵引和裂缝开口位移的关系。从所得曲线获得的特征参数用于嵌入内聚元件，通过有限元分析进一步模仿真实裂纹传播行为。结果表明，预测的断裂韧性与实验数据相同，突出了新分析方法来预测裂纹生长行为的适用性。 （c）2017 Elsevier Ltd.保留所有权利。

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