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Free Vibrations and Buckling of Graphene Sheets

机译:石墨烯片的自由振动和屈曲

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摘要

The molecular mechanics method is used to determine both eigenfrequencies and modes of vibrations and the critical compressing loads and buckling modes of graphene sheets. To simulate interatomic interactions in graphene, the DREIDING field of potential forces is used. This field includes four types of potential energies of covalent atomic interactions such as central forces, the variations in the angle between the neighboring bonds, the dihedral angle that is responsible for the torsion of the covalent bond, and the inversion angle (the angle corresponding to the retiring of the atom from the plane relative to three neighboring atoms).
机译:分子力学方法用于确定本征频率和振动模式以及石墨烯片的临界压缩载荷和屈曲模式。为了模拟石墨烯中的原子间相互作用,使用势力的DREIDING场。该字段包括共价原子相互作用的四种类型的势能,例如中心力,相邻键之间的角度变化,造成共价键扭转的二面角以及反转角(对应于原子相对于三个相邻原子从平面中的退役)。

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