Abstract

Much research has been performed for multiscale modeling and simulation of physical phenomena, but it is still a challenging task to effectively describe the evolution of failure across the interface between different spatial scales. Although molecular dynamics (MD) at nanoscale, smoothed molecular dynamics (SMD) at mesoscale and material point method (MPM) at micro- and macro-scales have been combined for multiscale simulations of different problems such as uniaxial tension, bending and plate ones, how to simulate the evolution of shear band across different scales remains to be an open issue. As a result, there is a lack of knowledge in objectively evaluating multiscale failure evolution in general. An effort is therefore made in this work to investigate how the shear banding could evolve between different scales with integrated MD and SMD in a single computational domain, which is verified via a convergence study. The interfacial effect on failure evolution is then explored for the future concurrent MD/SMD/MPM simulations of different physical phenomena under extreme loading conditions.

中文翻译：

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不同空间尺度界面上剪切带演化的研究

摘要

对于物理现象的多尺度建模和模拟已经进行了大量研究，但有效地描述不同空间尺度之间界面上的失效演化仍然是一项具有挑战性的任务。尽管纳米尺度的分子动力学（MD）、介观尺度的平滑分子动力学（SMD）以及微观和宏观尺度的质点法（MPM）已经结合起来用于不同问题的多尺度模拟，例如单轴拉伸、弯曲和板问题，如何模拟不同尺度上剪切带的演化仍然是一个悬而未决的问题。因此，总体上缺乏客观评估多尺度失效演化的知识。因此，本工作致力于研究剪切带如何在单个计算域中集成 MD 和 SMD 的不同尺度之间演化，并通过收敛研究进行验证。然后探索界面对失效演化的影响，以便未来在极端负载条件下对不同物理现象进行并行 MD/SMD/MPM 模拟。