TITLE:
Molecular Dynamics Simulation of Mechanical Properties for α-SiO2 Crystal
AUTHORS:
Jierong Guo, Lei Ma
KEYWORDS:
Mechanical Properties, Tensile, Molecular Dynamics
JOURNAL NAME:
Journal of Modern Physics,
Vol.10 No.6,
April
26,
2019
ABSTRACT: 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.