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MOlecular Dynamics Study of the Young’s Modulus of Graphene Sheet

Author: TanXinJun
Tutor: ZhangKaiWang
School: Xiangtan University
Course: Condensed Matter Physics
Keywords: Graphene Young's modulus Molecular dynamics simulations Circular Membrane
CLC: O613.71
Type: Master's thesis
Year: 2011
Downloads: 93
Quote: 0
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Abstract


Graphene has excellent optical, electrical, magnetic, and mechanical properties, has a broad application prospects for quality and gas sensors, micro-mechanical generator, nanocomposites, transistors, semiconductor devices, nano-micro-electro-mechanical systems. The mechanical properties of graphene will directly affect all aspects of its performance of the play, and also restricts the stability and reliability of the graphene nanodevices. In this paper, by using molecular dynamics (MD) simulation circle membrane elasticity theory independent suspension round film graphene graphene Young's modulus. The main content of the study are as follows: 1. Studied by scrambling degree on the size of a phased study graphene Young's modulus. The film having a different elastic reaction characteristics in the disturbed degree of the smaller and the larger of the disturbed degree. In case the disturbed degree is smaller, the influence of the pressure head of the film deformation is relatively small, applies point loading theory, while in the case of disturbed degree larger, the size of the pressure head is the deformation state of the graphene relatively large, should be Consider the impact of the the spherical indenter size of the Young's modulus calculated. The Young's modulus of paper, point loading mode the disturbed degree smaller group of data was analyzed, and the disturbed degree of larger data sets were analyzed using spherical indenter load mode obtained graphene 1.00 ± 0.05TPa. 2 different Young's modulus of the films, the calculated value of the size of the radius of the pressure head, the size of the size of the circular membrane and the thin film of prestressed, compare the relationship of the loading force with the film disturbed degree cubic relationship or a linear term plus cubic items correspondence between the calculated results obtained similarities and differences. Studied the multi-graphene Young's modulus, and put forward the concept of equivalent pressure head. The disturbed degree larger groups of data were analyzed to obtain the multi-graphene Young's modulus to obtain a Young's modulus of 1-5 layers of graphene 1.06TPa, 0.82TPa, 0.78TPa, 0.91TPa, 1.00 TPa. The simulation results show that graphene having a Young's modulus values ??of the thickness of the graphene somewhat dependent role, when the film thickness of the graphene three atomic layers or less, with the increase in the thickness, Young's modulus will be gradually reduced When the thickness is greater than 3 atomic layer, with increasing thickness, Young's modulus will gradually increase, and ultimately the Young's modulus close to the block.

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CLC: > Mathematical sciences and chemical > Chemistry > Inorganic Chemistry > Non-metallic elements and their compounds > Part Ⅳ family of non-metallic elements (carbon and silicon ) and its compounds > Carbon C
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