Shear-banding dynamic and self-repair mechanism of CuZr metallic glass subjected to cyclic nanoindentation: Experiment and molecular dynamic simulation

IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL
Chi Wang, Jiaxin Yu, Jianping Lai, Bing Wang, Fan Zhao, Zhenghao Jiang, Zhengbing Xiao
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Abstract

Although metallic glasses (MGs) exhibit exceptional mechanical properties, their practical applications are often hindered by operational conditions that induce cyclic stress and strain fluctuations, leading to sudden failure through rapid shear-banding. Combining experimental tests and molecular dynamic (MD) simulations, we find that although cyclic stress induces the accumulation of shear instability and promotes shear bands (SBs) growth, a unique ‘self-repair’ process occurs inside mature SBs evidenced by an obvious decrease in potential energy and increase in stabilized cluster connections. The unique self-repair behavior is elaborated by coupling the STZ-vortex model and medium-range order (MRO) clusters defined by the gradient atom stacking structure, which suggests that rigid solid-like clusters acting as the rotation center activate the inelastic deformation within surrounding atoms. Such shear-banding dynamic reveals that the self-repair event is caused by the transition from liquid-like atoms to opposite solid-like counterparts, which correlates strongly with enhancing face-sharing connections of MRO. These findings advance our understanding of structural evolution and plastic events during cyclic deformation of MGs.

Abstract Image

尽管金属玻璃(MGs)具有优异的机械性能,但其实际应用却常常受到操作条件的阻碍,因为操作条件会引起周期性应力和应变波动,从而导致快速剪切带的突然失效。结合实验测试和分子动力学(MD)模拟,我们发现尽管循环应力会诱导剪切不稳定性的积累并促进剪切带(SBs)的生长,但成熟的 SBs 内部会发生独特的 "自我修复 "过程,表现为势能的明显降低和稳定簇连接的增加。这种独特的自我修复行为是通过将 STZ 涡旋模型与梯度原子堆叠结构定义的中程阶(MRO)簇群耦合起来进行阐述的,这表明作为旋转中心的刚性固体状簇群激活了周围原子的非弹性变形。这种剪切带动态揭示了自我修复事件是由液态原子向相反的固态原子过渡引起的,这与 MRO 面共享连接的增强密切相关。这些发现加深了我们对 MGs 循环变形过程中的结构演变和塑性事件的理解。
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来源期刊
Applied Surface Science
Applied Surface Science 工程技术-材料科学:膜
CiteScore
12.50
自引率
7.50%
发文量
3393
审稿时长
67 days
期刊介绍: Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.
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