Mechanical behavior of single layer MoS2 sheets with aligned defects under uniaxial tension
Mechanical behavior of single layer MoS2 sheets with aligned defects under uniaxial tension
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DOI：
10.1063/5.0061556
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发表时间：
2021-09
影响因子：
3.2
通讯作者：
Yekun Han;Peijian Chen;Jiaming Zhu;Hao Liu;Yingying Zhang
中科院分区：
文献类型：
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作者：
Yekun Han;Peijian Chen;Jiaming Zhu;Hao Liu;Yingying Zhang
与单个缺陷或随机分布的缺陷相比，排列缺陷广泛存在于结构中或人为设计以实现各种功能。然而，过渡金属二硫属化合物的定向缺陷的力学行为还不清楚，这限制了其在新型柔性纳米器件中的应用。本文采用数值计算和理论模拟的方法研究了含取向缺陷的单层MoS2（SLMoS2）板材在单轴拉伸下的强度和断裂特性。结果表明，缺陷数量和相邻间距的增加导致原始和kirigami MoS2板的临界应变以及拉伸强度的降低。发现了三种类型的裂纹扩展现象，并采用一个有效的理论模型来揭示SLMoS2板的裂纹偏转现象的内在机制与对齐的缺陷。这些结果提供了重要的见解SLMoS2片的力学行为，并应有助于潜在的应用的新的二维材料。
Compared with a single defect or randomly distributed defects, aligned defects are widely found or artificially designed in structures to realize various functions. However, the mechanical behavior of transition metal dichalcogenides with aligned defects is still unclear, which restricts the blooming application in novel flexible nanodevices. Herein, we report the strength and fracture properties of single layer MoS2 (SLMoS2) sheets with aligned defects under uniaxial tension by numerical calculation and theoretical modeling. It is found that the increase of the number of defects and adjacent spacing leads to the decrease of critical strain as well as tensile strength of both pristine and kirigami MoS2 sheets. Three types of crack propagation phenomena are discovered, and an effective theoretical model is employed to uncover the underlying mechanism of crack deflection phenomenon in SLMoS2 sheets with aligned defects. These results provide important insights into mechanical behavior of SLMoS2 sheets and should be helpful for potential applications of the new two-dimensional material.