Size Dependent Mechanical Properties of Graphene Nanoribbons:Molecular Dynamics Simulation

摘要：

　　Strain engineering is an effective method to tune the band gap and electronic transport properties of graphene nanoribbons (GNRs).However,strain/stress field may promote the system deviating from the equilibrium state,and the mechanical stability will become one of the key issues for reliable services of relevant devices.In this paper,the size-dependent mechanical properties of GNRs under tensile loading were studied by Molecular Dynamics (MD) simulations.The results indicate that the yield stress of both zigzag and armchair GNRs decreases with the ribbon length changing from 240(A)to 30 (A).However,the ductility of armchair GNRs was significantly improved.Radial Distribution Function (RDF) was employed to analyze the evolution of atomic configurations.It showed that lattice shearing is the main mechanism for the ductility of armchair GNRs.

关键词： Graphene nanoribbons Fracture stress Radial distribution function Lattice shearing

作者: Y.J.Sun F.Ma K.W.Xu

作者单位: State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xian 710049,S Department of Physics and Opt-electronic Engineering, Xian University of Arts and Science, Xian 71

会议类型: 国际会议

会议名称: the Chinese Materials Congress 2012(2012年中国材料大会(CMC2012))

会议地点: 太原

会议语种:英文

页码: 456-460

在线出版日期: 2012-07-13（万方平台首次上网日期，不代表论文的发表时间）