A coarse-grained simulation for the folding of molybdenum disulphide

Cui Xia Wang, Chao Zhang, Jin Wu Jiang, Timon Rabczuk

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We investigate the folding of molybdenum disulphide (MoS2) using coarse-grained (CG) simulations, in which all the parameters are determined analytically from the Stillinger-Weber atomic potential. Owing to its simplicity, the CG model can be used to derive analytic predictions for the relaxed configuration of the folded MoS2 and the resonant frequency for the breathing-like oscillation. We disclose two interesting phenomena for the breathing-like oscillation in the folded MoS2. First, the breathing-like oscillation is self-actuated, since this oscillation can be actuated by intrinsic thermal vibrations without any external actuation force. Second, the resonant frequency of the breathing-like oscillation is insensitive to the adsorption effect. These two features enable practical applications of the folded MoS2 based nanoresonators, where stable resonant oscillations are desirable.

Original languageEnglish
Article number025302
JournalJournal of Physics D: Applied Physics
Volume49
Issue number2
DOIs
Publication statusPublished - 2015 Nov 30

Fingerprint

molybdenum disulfides
folding
Molybdenum
Natural frequencies
breathing
oscillations
simulation
resonant frequencies
Adsorption
self oscillation
actuation
molybdenum disulfide
vibration
adsorption
configurations
predictions
Hot Temperature

Keywords

  • coarse-grained
  • folded molybdenum disulphide
  • nanomechanical resonators

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials
  • Acoustics and Ultrasonics
  • Surfaces, Coatings and Films

Cite this

A coarse-grained simulation for the folding of molybdenum disulphide. / Wang, Cui Xia; Zhang, Chao; Jiang, Jin Wu; Rabczuk, Timon.

In: Journal of Physics D: Applied Physics, Vol. 49, No. 2, 025302, 30.11.2015.

Research output: Contribution to journalArticle

Wang, Cui Xia ; Zhang, Chao ; Jiang, Jin Wu ; Rabczuk, Timon. / A coarse-grained simulation for the folding of molybdenum disulphide. In: Journal of Physics D: Applied Physics. 2015 ; Vol. 49, No. 2.
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