Author(s)

Jierong Guo, Lei Ma

College of Mathematics and Physics Science, Hunan University of Arts and Science, Changde, China.

The mechanical properties of the α-SiO₂ crystal are studied by molecular dynamics method with Tersoff potential function. The results show that the α-SiO₂ crystal goes through elastic deformation, plastic deformation and fracture deformation in the process of uniaxial loading at room temperature. The α-SiO₂ is from crystal phase transformation to amorphous phase in plastic deformation. And also by studying the influence of temperature on the tensile mechanical properties of α-SiO₂, it finds that the yield strength and elastic modulus of α-SiO₂ decrease gradually as the temperature increases. Moreover, the higher the temperature, the lower the fracture stress and fracture strain; the α-SiO₂ crystal is easy to be broke under high temperature uniaxial loading. And it also finds that the crack is able to decrease the mechanical properties of α-SiO₂ crystal.

Mechanical Properties, Tensile, Molecular Dynamics

Guo, J. and Ma, L. (2019) Molecular Dynamics Simulation of Mechanical Properties for α-SiO₂ Crystal. Journal of Modern Physics, 10, 577-584. doi: 10.4236/jmp.2019.106040.