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Author:

Yang, Q. (Yang, Q..) | Shang, J. (Shang, J..) | Liu, X. (Liu, X..) (Scholars:刘晓)

Indexed by:

Scopus PKU CSCD

Abstract:

To investigate the behavior of multi-layer graphene (MLG) and other graphene assemblies effectively, a coarse-grained molecular dynamics (CG-MD) method was developed, which conquers the limitations of experimental observations and full atom simulation to some extent. The CG-MD method based on Tersoff potential was used to simulate large scale graphene. The coordinates of the model were needed in the process of computation, which greatly reduced the time of modeling. The comparison between the results of full atom model and CG-MD model was made. It is proved that the CG-MD model can predict the tensile behavior of MLG accurately and it has great significance to producing graphene fiber with high performance. © 2016, Editorial Department of Journal of Beijing University of Technology. All right reserved.

Keyword:

Coarse-grained model; Failure strength; Mechanical properties; Molecular dynamics simulation; Multi-layer graphene

Author Community:

  • [ 1 ] [Yang, Q.]College of Mechanical Engineering and Applied Electronics Technology, Beijing University of Technology, Beijing, 100124, China
  • [ 2 ] [Shang, J.]College of Mechanical Engineering and Applied Electronics Technology, Beijing University of Technology, Beijing, 100124, China
  • [ 3 ] [Liu, X.]College of Mechanical Engineering and Applied Electronics Technology, Beijing University of Technology, Beijing, 100124, China

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Source :

Journal of Beijing University of Technology

ISSN: 0254-0037

Year: 2016

Issue: 12

Volume: 42

Page: 1798-1804

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 2

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 7

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