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/aBN. 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.

关键词： nanocomposite interface first principles

作者: Baojun WANG Fei XIE Kejun JIA

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

会议类型: 国际会议

会议名称: 2010 International Conference on Nano Science and Technology(2010年IEEE纳米科技国际会议 ICNST2010)

会议地点: 成都

会议语种:英文

页码: 120-122

在线出版日期: 2010-12-17（万方平台首次上网日期，不代表论文的发表时间）