Molecular Dynamics Simulation of Mechanical Properties for α-SiO<sub>2</sub>Crystal

• 作者: Jierong Guo Lei Ma
• 来源期刊: 现代物理(英文)
• 学科: 工学
• 关键词: Mechanical Properties TENSILE Molecular Dynamics
• 年，卷（期）: xdwlyw_2019,（6）
• 页码范围: 577-584
• 页数: 8页
• 分类号: TG14

摘要

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.