Molecular dynamics study of mechanical behavior in silica glass under uniaxial deformation

Computational Materials Science（2019）

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摘要

•Densified a-SiO2 exhibits elastic behavior, plastic flow and no crack propagation.•a-SiO2, consisting of dominant SiO4 units, exhibits the crack propagation.•Inhomogenous elastic-plastic deformation.•O-voids play pivotal roles in the evolution and coalescence of voids.•Threefold Si coordinations appear almost on the fractured free surfaces.

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关键词

Molecular dynamics,Simulation,SiO2,Glass,Deformation,Voids

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