Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

被引：42
作者：
Zhao, Junhua [1 ,2 ]
Jiang, Jin-Wu [2 ]
Rabczuk, Timon [2 ,3 ]
机构：
[1] Jiangnan Univ, Jiangsu Prov Key Lab Adv Mfg Equipment & Technol, Wuxi 214122, Peoples R China
[2] Bauhaus Univ Weimar, Inst Struct Mech, D-99423 Weimar, Germany
[3] Korea Univ, Sch Civil Environm & Architectural Engn, Seoul 136701, South Korea
来源：
APPLIED PHYSICS LETTERS | 2013年 / 103卷 / 23期
基金：
中国国家自然科学基金;
关键词：
ELASTIC PROPERTIES;
D O I：
10.1063/1.4844935
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS2) are obtained using molecular dynamics (MD) nanoindentation simulations. The Young's moduli, maximum load stress, and maximum loading strain decrease with increasing temperature from 4.2 K to 500 K. The obtained Young's moduli are in good agreement with those using our MD uniaxial tension simulations and the available experimental results. The tendency of maximum loading strain with different temperature is opposite with that of metal materials due to the short range Stillinger-Weber potentials in MoS2. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed. (C) 2013 AIP Publishing LLC.
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页数：4
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