不同缺陷类型的双层石墨烯旋转摩擦特性研究

针对缺陷石墨烯层间旋转摩擦的相关理论研究的不足，本文采用分子动力学模拟方法，构建双层石墨烯旋转摩擦的原子模型，研究缺陷类型和浓度、尺寸效应及石墨烯堆叠方式等因素对其层间旋转摩擦特性的影响，最后探讨应变工程的减摩效应。结果表明：缺陷类型和堆叠方式对其旋转摩擦特性的影响较为显著，缺陷类型的影响程度最高。当对底层石墨烯引入拉伸应变后，其旋转摩擦阻力发生衰减，并且单空位缺陷与无缺陷模型的力矩递减趋势最为相似。最后对比研究底层石墨烯的压缩应变，发现其在一定范围内使得层间摩擦增大，上述研究进一步完善了缺陷石墨烯层间旋转摩擦特性理论。

Rotational tribological properties of bilayer graphene based on different defect types

This paper investigates the interlayer rotational friction of defective graphene, which has been underexplored in theoretical studies. We construct an atomic model to study the effects of defect type and concentration, size effect, and graphene stacking method on its interlayer rotational friction characteristics. We also explore the friction reduction effect of strain engineering. Our results show that defect type and stacking method have a more significant influence on rotational friction characteristics, with defect type having the highest degree of influence. Introducing tensile strain to the underlying graphene causes its rotational frictional resistance to decay, with the decreasing moment trend being most similar for the single vacancy defect and defect-free model. We also comparatively studied the compressive strain of the underlying graphene and found that it increases interlayer friction within a certain range. This study further improves the theory of interlayer rotational friction properties of defective graphene.