Mechanical property of a graphene/silicon interface: an atomistic simulation research
by Xuenan Wang; Xiusheng Tang; Jie Gong; Yu Liu; Lin Deng; Ping Yang
International Journal of Materials and Structural Integrity (IJMSI), Vol. 8, No. 1/2/3, 2014

Abstract: Molecular dynamics simulation is used to study mechanical properties of the graphene/silicon bi-layer film structure. We studied the tensile fracture mechanism of the composite structure and found tensile failures in this composite structure always start from the silicon. The results also indicate that interactions between graphene and silicon have a profound impact on damages in the silicon thin film. Owing to the interlayer interaction, the ultimate strain of silicon film is improved; also a phase transition appears in the fracture process, which makes the film more ductile, quite unlike the monocrystalline silicon. The comparison between uniaxial tensile stress-strain curves at different temperatures shows tensile strength of the structure decreases with the increase of temperature.

Online publication date: Tue, 21-Oct-2014

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