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

The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS{sub 2}) 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 MoS{sub 2}. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed.
Authors:
 [1] ;  [2] ;  [3] ;  [3] ;  [4]
  1. Jiangsu Province Key Laboratory of Advanced Manufacturing Equipment and Technology of Food, Jiangnan University, 214122 Wuxi (China)
  2. (Germany)
  3. Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany)
  4. (Korea, Republic of)
Publication Date:
OSTI Identifier:
22253876
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 103; Journal Issue: 23; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS METHOD; MOLYBDENUM; MOLYBDENUM SULFIDES; SIMULATION; STRAINS; TEMPERATURE DEPENDENCE