Atomistic Origins of Temperature-Dependent Shear Strength in 2D Materials

被引：15

作者：

Curry, John F. ^{[1
]}

Hinkle, Adam R. ^{[1
]}

Babuska, Tomas F. ^{[1
,2
]}

Wilson, Mark A. ^{[1
]}

Dugger, Michael T. ^{[1
]}

Krick, Brandon A. ^{[2
]}

Argibay, Nicolas ^{[1
]}

Chandross, Michael ^{[1
]}

机构：

[1] Sandia Natl Labs, Mat Phys & Chem Sci Ctr, Albuquerque, NM 87123 USA

[2] Lehigh Univ, Dept Mech Engn & Mech, Bethlehem, PA 18015 USA

来源：

ACS APPLIED NANO MATERIALS | 2018年 / 1卷 / 10期

基金：

美国国家科学基金会;

关键词：

2D materials; MoS2; molybdenum disulfide; nudged elastic band; superlubricity; molecular dynamics; activation energy; temperature; FRICTION; MOS2; BEHAVIOR; WEAR; DIFFUSION; SURFACE; LAYERS;

D O I：

10.1021/acsanm.8b01454

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

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.

引用

页码：5401 / 5407

页数：13

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