温度对石墨烯条带拉伸力学性能影响的模拟研究
摘要
The molecular dynamics simulation was used to investigate the tensile mechanical behavior of graphene nanoribbons (GNRs)which was influenced by the temperature from 1 K to 800 K.The simulation results showed that the chirality and width of GNRs have the obviously effect on tensile mechanical properties.From the analysis results,we can see that the Young's modulus and tensile strength of Zigzag GNRs(ZGNRs)are larger than that of Armchair GNRs (AGNRs);furthermore,the Young's modulus and the tensile strength have a significant size effect on the width of GNRs.In addition,the tensile mechanical properties of GNRs are strongly depending on temperature.The tensile strength decreases with the increases of the temperature,and the values of uniform variable o f the temperature are different from those of stationary temperature.At the same time,the temperature variable speed is one of the factors which influence the tensile strength of GNRs.