Temperature-dependent mechanical properties of single-layer molybdenum disulphide

Molecular dynamics nanoindentation simulations

Junhua Zhao, Jin Wu Jiang, Timon Rabczuk

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number231913
JournalApplied Physics Letters
Volume103
Issue number23
DOIs
Publication statusPublished - 2013 Dec 2

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molybdenum disulfides
nanoindentation
mechanical properties
molecular dynamics
modulus of elasticity
simulation
temperature
tendencies
radii
metals

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Temperature-dependent mechanical properties of single-layer molybdenum disulphide : Molecular dynamics nanoindentation simulations. / Zhao, Junhua; Jiang, Jin Wu; Rabczuk, Timon.

In: Applied Physics Letters, Vol. 103, No. 23, 231913, 02.12.2013.

Research output: Contribution to journalArticle

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