Molecular Dynamics Simulation of Mechanical Properties for α-SiO<sub>2</sub> Crystal
- 1 College of Mathematics and Physics Science, Hunan University of Arts and Science, Changde, China
- 2 College of Mathematics and Physics Science, Hunan University of Arts and Science, Changde, China
Abstract
The mechanical properties of the α-SiO 2 crystal are studied by molecular dynamics method with Tersoff potential function. The results show that the α-SiO 2 crystal goes through elastic deformation, plastic deformation and fracture deformation in the process of uniaxial loading at room temperature. The α-SiO 2 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-SiO 2 , it finds that the yield strength and elastic modulus of α-SiO 2 decrease gradually as the temperature increases. Moreover, the higher the temperature, the lower the fracture stress and fracture strain; the α-SiO 2 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-SiO 2 crystal.
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