First Principles Study On The TiN/BN/TiN interface

摘要：

To obtain a understanding of the deform mechanism and ideal strength in superhard nanocomposites nc-TiN/a-BN. we studied, using the first-principles calculation method, the geometrical stucture, the electronic density and the tensile stress-strain response of a theoretical interfacial system TiN/BN/TiN, which consists of two TiN slabs and one sandwiched BN monolayer. The calculated results show that Friedel oscillations weaken the Ti-N interplanar bonds next to the interface, where decohesion happens. A comparison with the TiN/SiN/TiN interface was done, showing that the orientation has the huger influence on the tensile strength of TiN/BN/TiN interface.

作者: Wang Baojun Xie Fei Jia Kejun

作者单位: College of Quality and Technical Supervision, Hebei University, Baoding 071000,China

会议类型: 国际会议

会议名称: 2nd International Conference on Nanomanufacturing，1st CIRP Conference on Nanomanufacturing(第二届纳米制造国际会议)

会议地点: 天津

会议语种:英文

页码: 1-4

在线出版日期: 2010-09-24（万方平台首次上网日期，不代表论文的发表时间）