温度对硅烯薄膜剪切力学性能影响的分子动力学研究  

Molecular dynamics of temperature effects on shear mechanical properties of silicene sheets

作　　者：赵晓西[1,2] 李永池[1] 

机构地区：[1]中国科学技术大学近代力学系,安徽合肥230026 [2]郑州大学水利与环境学院,河南郑州450001

出　　处：《兵器材料科学与工程》2013年第6期10-14,共5页Ordnance Material Science and Engineering

基　　金：国家自然科学基金项目(51209101)

摘　　要：采用Tersoff势对硅烯薄膜剪切破坏过程进行分子动力学模拟,研究了不同温度对锯齿型和扶手椅型硅烯薄膜剪切力学特性的影响,得到相应的应力-应变曲线关系以及剪切破坏形态。结果表明,硅烯薄膜的剪切模量、剪切强度和极限剪切应变随温度增加均明显下降。The failure process of silicene sheets under shear deformation was simulated by molecular dynamics method with Tersoff potential. The temperature effects on the shear properties of zigzag and armchair silicene sheets were analyzed,and corresponding stress-strain relationships and shear failure modes were obtained. The results indicate that the shear modulus,the shear strength and limit shear strain of silicene are significantly reduced with the increase of temperature.

关 键 词：硅烯 剪切性能 分子动力学 温度 

分 类 号：TB332[一般工业技术—材料科学与工程]