First-principles Calculations on Interface Behavior of Ni/WC Composite Brazed Coatings

被引：0
|
作者：
Wang X. [1 ,2 ]
Wu G. [1 ]
He P. [2 ]
Yang X. [3 ]
机构：
[1] Henan International Joint Laboratory of High-efficiency Special Green Welding, North China University of Water Resources and Electric Power, Zhengzhou
[2] State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin
[3] Academician Expert Workstation, Jinhua Polytechnic, Jinhua
来源：
Jixie Gongcheng Xuebao/Journal of Mechanical Engineering | 2024年 / 60卷 / 04期
关键词：
adhesion work; brazing; first principle calculation; interface behavior; Ni/WC coating;
D O I：
10.3901/JME.2024.04.296
中图分类号：
学科分类号：
摘要：
Ni/WC composite coating has been widely used in agricultural machinery, mould processing and new energy resources fields for its high hardness, high wear resistance and low friction coefficient. The first-principles calculation is used to study the Ni(111)/WC(0001) interface and Ni(111)/W2C(0001) interface behavior in Ni/WC composite brazed coating of construction machinery. The influence of W2C on the wear resistance of WC-reinforced Ni matrix composite brazed coatings is discussed. The calculation results reveal that the 5 atom-layers Ni(111) surface, 9 atom-layers WC(0001) surface and 9 atom-layers W2C (0001) surface are selected to represent the block characteristics. Among the six stacking sequences, the highest Wad (adhesion work) is 7.42 J/m2 at B site from C-terminated structure of Ni(111)/WC(0001) interface, then the interface bonding strength is the highest. The systematic analysis of the electronic structures at different interfaces shows that Ni atoms are more likely to bond with C atoms, the properties of bonds between Ni and C atoms are mainly ionic bonding, and the properties of metallic bonding between Ni atoms at the interface are much weaker than non-interface Ni atoms.W2C phase should be strictly controlled at the coating interface. The theoretical basis is provided for the manufacture of high wear resistance, high hardness and high strength composite coatings. © 2024 Chinese Mechanical Engineering Society. All rights reserved.
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页码：296 / 304
页数：8
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