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A coarse-grained molecular dynamics study on the mechanical properties of multi-layer graphene
13th International Conference on Nanotek & Expo
December 05-07, 2016 Phoenix, USA
Qingsheng Yang
Beijing University of Technology, China
Posters & Accepted Abstracts: J Nanomed Nanotechnol
Abstract:
Graphene is the thinnest, hardest and toughest material known. Multi-Layer Graphene (MLG) and other graphene assemblies are important aspects of graphene application for their outstanding properties. Coarse-grained molecular dynamics (CGMD) methods are developed to investigate the behavior of MLG and graphene assemblies due to the limitations of experimental observations and full atom simulation. In this paper, the CG-MD method based on Tersoff potential is used to simulate MLG. Besides the obvious reduction in calculation amount, only the coordinates of the model are needed in the process of computation, which greatly reduces the time of modeling and makes it easier to build complicated models. The comparison between the results of full atom model and CG-MD model is made. It is proved that the CG-MD model can predict the behavior of MLG accurately. It has great significance to produce graphene fiber with high performance.
Biography :
Email: qsyang@bjut.edu.cn