Mechanical property of a graphene/silicon interface: an atomistic simulation research. (1st January 2014)

• Record Type: Journal Article
• Authors: Wang, Xuenan; Tang, Xiusheng; Gong, Jie; Liu, Yu; Deng, Lin; Yang, Ping
• Is Part Of: International journal of materials and structural integrity. Volume 8:Number 1/2/3(2014)
• Page Start: 161
• Page End: 168
• Publication Date: 2014-01-01
• Subjects: molecular dynamics -- MD -- graphene/silicon film -- stress-strain -- tensile; Materials -- Testing -- Periodicals; Strength of materials -- Periodicals; Structural dynamics -- Periodicals; Structural analysis (Engineering) -- Periodicals; 620.112
• Languages: English
• ISSNs: 1745-0055

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.