中文摘要：

通过分子动力学方法,在不同应变率和不同温度下对多层石墨烯进行拉开过程模拟,并以此研究了多层石墨烯层间界面性能的拉伸速率和温度效应。研究结果表明,随着拉开界面的应变速率的增加,多层石墨烯界面强度也随之提高,但当加载速率提高到1e10 s~（-1）后,界面强度趋于平稳。此外,研究也表明,多层石墨烯界面强度先随着温度的升高而出现增加,但温度到达350 K后,界面强度出现减小的现象;同时基于分子动力学模拟结果,计算了多层石墨烯层间界面内聚力本构关系的界面参数。

英文摘要：

The influences of tensile strain rate and temperature on the interfacial properties of multilayer graphene are investigated by using the classical molecular dynamics（ MD） simulation method. The results show that the interfacial strength increases with the increase of the tensile strain rate. However,when the loading rate is increased to 1 e10 s~（-1）,the interfacial strength tends to be stable.In addition,the study also shows that the interfacial strength increases with the increase of temperature,but when the temperature reaches 350 K,the interfacial strength decreases,which is due to the temperature effect of the thermal expansion coefficient of multilayer graphene. Moreover,the parameters of the cohesive zone model of interlayer interfaces in the multilayer graphene are obtained based on the MD results.