Atomistic Origins of Temperature-Dependent Shear Strength in 2D Materials
Atomistic Origins of Temperature-Dependent Shear Strength in 2D Materials
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DOI：
10.1021/acsanm.8b01454
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发表时间：
2018-09
影响因子：
5.9
通讯作者：
J. Curry;Adam R. Hinkle;T. Babuska;Mark A. Wilson;M. Dugger;B. Krick;N. Argibay;M. Chandross
中科院分区：
文献类型：
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作者：
J. Curry;Adam R. Hinkle;T. Babuska;Mark A. Wilson;M. Dugger;B. Krick;N. Argibay;M. Chandross
我们提出了一个模型，预测宏观尺度的温度依赖性的界面剪切强度的二维材料，如二硫化钼的原子机制和充满活力的障碍滑动的基础上。原子模拟被用来系统地确定片层尺寸依赖的旋转和平移能垒，用于准确地预测广泛的实验数据。该框架提供了关于二维材料特征剪切强度的起源的见解。
We present a model that predicts the macroscale temperature-dependent interfacial shear strength of 2D materials like MoS2 based on atomistic mechanisms and energetic barriers to sliding. Atomistic simulations were used to systematically determine the lamellar size-dependent rotation and translation energy barriers, that were used to accurately predict a broad range of experimental data. This framework provides insight about the origins of characteristic shear strengths of 2D materials.