牛建钢王宝军王翠表田晓
金属学报
利用第一性原理计算方法研究了TiN(111)/BN/TiN(111)界面的16个理论界面构型.计算结果表明, 最稳定界面构型为top-top-BN 构型, 此构型中B原子只与周围N原子成键, 为四面体配位. 同时计算了top-top-BN构型的电子结构和成键特性以及界面结合强度, 结果表明, top-top-BN构型界面上的键为较强共价键,
其界面结合强度比TiN(111)板层或TiN块体材料的(111)晶面间的结合强度大, 说明此构型具有强界面特征.
关键词:
纳米复合薄膜
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nitride
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interface
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first principle
H.B. Ji
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L.F. Xia
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X.X. Ma
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Y. Sun and M.R. Sun School of Materials Science and Engineering
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Harbin Institute of Technology
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Harbin 150001
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China
金属学报(英文版)
The surface properties Of Ti-6Al-4V alloy coated with titanium nitride, TIN + TiC + Ti(C,N)/DLC, TIN/DLC, and TI C/DLC films by plasma-based ion implantation (PBII) with nitrogen, PBH with nitrogen then acetylene, PBII with nitrogen then glow discharge deposition with acetylene plus hydrogen, and PBH with acetylene then glow discharge deposition with acetylene plus hydrogen, respectively, are compared (DLC: diamond like carbon). The corresponding films are found getting dimmer: light gold or gold, smoky color (uneven), light red in black (uneven), and graphite black. and the corresponding film resistivities are about: (1. 0--3. 3) x 10~7, (0. 05- 2. 00) x 10~11 ) (0.016-2.400)× 10~11, and (0.45-1.01)x 10~11 Ω/cm, respectively. Antioxidation ability of the titanium nitride film is poor while existence of carbon (or carbide) improves the antioxidation ability of the films. Having underpone excellent intermediate transitional region of nitrogen and carbon implantation, the top DLC layer of the TIN+TIC+Ti(C,N)/DLC multilayer formed after the carbon implantation has the best adhesion with the substrate among all the multilayers presented. Although microhardness of the samples increases in the order of coatings of titanium nitride, TIN/DLC, TiN+TiC+Ti(C,N)/DLC, and TiC/DLC, the TIN/DLC and TiC/DLC multilayers have greater brittleness compared with other films presented.
关键词:
Ti-6Al-4V
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