A coarse-grained simulation for the folding of molybdenum disulphide

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

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


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
Issue number2
Publication statusPublished - 2015 Nov 30

Bibliographical note

Publisher Copyright:
© 2016 IOP Publishing Ltd.


  • coarse-grained
  • folded molybdenum disulphide
  • nanomechanical resonators

ASJC Scopus subject areas

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


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