Deformation behaviors of a model metallic glass under 3-D nanoindentation studied in molecular dynamics simulation
Deformation behaviors of a model metallic glass under 3-D nanoindentation studied in molecular dynamics simulation
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DOI：
10.1016/j.nocx.2022.100130
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发表时间：
2022-11
影响因子：
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通讯作者：
Haidong Liu;Yunfeng Shi;Liping Huang
中科院分区：
文献类型：
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作者：
Haidong Liu;Yunfeng Shi;Liping Huang
近年来，分子动力学（MD）模拟已被用来研究纳米压痕下玻璃的变形行为，主要使用球形压头或2.5维样品几何形状等理想几何形状来简化后期分析并节省计算成本。为了生成可以直接与实验进行比较的应力/应变场，我们在这项工作中开发了一种 3D 纳米压痕协议，以研究模型金属玻璃在 MD 急剧接触载荷下的变形行为。我们的研究表明，压头的锋利度控制着剪切带的形成，而剪切带之间的相互作用决定了模型金属玻璃中裂纹的萌生。我们模拟的纳米压痕测试中模型金属玻璃中的剪切带和残余应力场与实验中仪器压痕中钠钙硅酸盐（SLS）玻璃的观察结果一致，因为它们都利于在急剧接触载荷下发生剪切变形。
In recent years, molecular dynamics (MD) simulation has been used to study the deformation behaviors of glass under nanoindentation, mainly using ideal geometries like a spherical indenter or a 2.5-D sample geometry to simplify post-analysis and save computational costs. To generate stress/strain fields that can be directly compared with experiments, we developed a 3-D nanoindentation protocol in this work to study the deformation behaviors of a model metallic glass under sharp contact loading in MD. Our studies show that the indenter sharpness controls the shear band formation, and the interaction between shear bands dictates the crack initiation in the model metallic glass. Shear bands and residual stress fields in the model metallic glass from our simulated nanoindentation tests are consistent with observations in soda-lime silicate (SLS) glass from the instrumented indentation in experiments, as both of them favor shear deformation under sharp contact loading.