金刚石与磨料磨具工程2017，Vol.37Issue(3)：23-28,6.DOI:10.13394/j.cnki.jgszz.2017.3.0006
硬质合金基底表面线缺陷对金刚石涂层膜基界面结合强度的影响
Influence of line defect in cemented carbide substrate on bonding strength between diamond coating film and substrate
摘要
Abstract
The first principles plane wave pseudopotential method based upon density functional theory (DFT) is used to investigate the bonding strength of diamond coating film on cemented carbide substrate with different line defect ratios.The interface molecular models between diamond coating film and substrate are built with different crystal orientations namely [111], [110] and [100], which are used to study the influence of the line defect ratio in cemented carbide substrate on the bonding strength of boundary and best interfacial bonding strength with three different crystal orientations.Results show that the surface energy of cemented carbide substrate increases at first and then decreases as the line defect ratio in substrate surface grows and that when the line defect ratio ρis 12.5%, the surface energy reaches to the maximum.It is further found that the optimal bonding energy of diamond coating interface with different crystal orientations have different optimal line defect ratios of substrate.The optimal line defect ratio ρ is 6.25% for diamond crystal of [111] and [110] orientations, but ρ=0 for [100] orientation.关键词
金刚石涂层/界面结合强度/第一性原理/线缺陷率Key words
diamond coating/interfacial bonding strength/first principle/line defect ratio分类
化学化工引用本文复制引用
张奎林,陈军,黄卓,简小刚..硬质合金基底表面线缺陷对金刚石涂层膜基界面结合强度的影响[J].金刚石与磨料磨具工程,2017,37(3):23-28,6.基金项目
国家自然科学基金资助(51275358) （51275358）
中央高校专项基金资助(20140750). （20140750）
