Fan Yin, Xiang Yang, Shen Hui-Shen
School of Engineering, Western Sydney University, Locked Bag 1797, Penrith, NSW 2751, Australia.
School of Aeronautics and Astronautics, Shanghai Jiao Tong University, Shanghai 200240, China.
Research (Wash D C). 2020 Feb 5;2020:5618021. doi: 10.34133/2020/5618021. eCollection 2020.
Negative Poisson's ratio (NPR), also known as "auxetic", is a highly desired property in a wide range of future industry applications. By employing molecular dynamics (MD) simulation, metal matrix nanocomposites reinforced by graphene sheets are studied in this paper. In the simulation, single crystal copper with crystal orientation [1 1 0] is selected as the matrix and an embedded-atom method (EAM) potential is used to describe the interaction of copper atoms. An aligned graphene sheet is selected as reinforcement, and a hybrid potential, namely, the Erhart-Albe potential, is used for the interaction between a pair of carbon atoms. The interaction between the carbon atom and copper atom is approximated by the Lennard-Jones (L-J) potential. The simulation results showed that both graphene and copper matrix possess in-plane NPRs. The temperature-dependent mechanical properties of graphene/copper nanocomposites with in-plane NPRs are obtained for the first time.
负泊松比（NPR），也被称为“拉胀性”，是未来广泛的工业应用中非常理想的一种特性。本文通过分子动力学（MD）模拟研究了石墨烯片增强的金属基纳米复合材料。在模拟中，选择晶体取向为[1 1 0]的单晶铜作为基体，并使用嵌入原子法（EAM）势来描述铜原子间的相互作用。选择取向排列的石墨烯片作为增强体，并且使用一种混合势，即埃尔哈特 - 阿尔贝势，来描述一对碳原子之间的相互作用。碳原子与铜原子之间的相互作用通过 Lennard-Jones（L-J）势近似。模拟结果表明，石墨烯和铜基体都具有面内负泊松比。首次获得了具有面内负泊松比的石墨烯/铜纳米复合材料随温度变化的力学性能。
