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- 2018
石墨烯/铜复合材料剪切性能的分子动力学模拟
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Abstract:
采用分子动力学方法系统地研究了石墨烯/铜复合材料的剪切力学性能，包括剪切弹性模量、剪切屈服强度、剪切破坏强度及剪切变形机制。研究发现，与单晶铜的剪切模拟相比较，石墨烯的加入显著增强了石墨烯/铜复合材料的剪切强度，并且剪切强度随着石墨烯体积分数的增大而提高。复合材料中的石墨烯层与铜层产生了协同作用，即石墨烯层阻碍了铜的位错扩展，铜层限制了石墨烯的结构屈曲。对含球形缺陷的石墨烯/铜复合材料的剪切性能也进行了研究。结果表明，不同位置和数量的球形小缺陷对复合材料的剪切性能影响不大，小缺陷石墨烯/铜复合材料仍具有较好的性能和使用价值。但随着缺陷直径的增大，复合材料的剪切强度明显减小。 The shear properties of graphene/copper composites were systematically studied by molecular dynamics method, including shear elastic modulus, shear yield strength, shear failure strength and shear deformation mechanism. It is found that the addition of graphene significantly improves the shear strength of the graphene/copper composites and the shear strength increases with the increasing of the volume fraction of graphene. The graphene layer in the composites has synergistic effect with the copper layer, i.e. the graphene layer prevents the copper dislocation propagation, and the copper layer blocks the buckling of the graphene structure. The shear properties of the graphene/copper composites with spherical defects were also investigated. The results show that the small size defects with different number and location have little effect on the shear properties of the composites. The graphene/copper composites with small defect still have good performance and application value. But with the increasing of the diameter of the defects, the shear strength of the composites decreases distinctly. 西安建筑科技大学校人才科技基金（DB12062）
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