Atomistic simulations on adhesive contact of single crystal Cu and wear behavior of Cu-Zn alloy
You-Jun Ye(叶有俊)1, Le Qin (秦乐)2,3, Jing Li (李京)2, Lin Liu(刘麟)2,†, and Ling-Kang Wu(吴凌康) 4,‡
1 National Quality Supervision and Inspection Center of Pressure Pipe Components, Special Equipment Safety Supervision Inspection Institute of Jiangsu Province, Nanjing 210036, China; 2 School of Mechanical Engineering, Changzhou University, Changzhou 213164, China; 3 Jiangsu Power Equipment Co., Ltd, Changzhou 213000, China; 4 School of Material Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0245, USA
Abstract Atomistic simulations are carried out to investigate the nano-indentation of single crystal Cu and the sliding of the Cu-Zn alloy. As the contact zone is extended due to adhesive interaction between the contact atoms, the contact area on a nanoscale is redefined. A comparison of contact area and contact force between molecular dynamics (MD) and contact theory based on Greenwood-Williamson (GW) model is made. Lower roughness causes the adhesive interaction to weaken, showing the better consistency between the calculated results by MD and those from the theoretical model. The simulations of the sliding show that the substrate wear decreases with the mol% of Zn increasing, due to the fact that the diffusion movements of Zn atoms in substrate are blocked during the sliding because of the hexagonal close packed (hcp) structure of Zn.
Fund: Project supported by the National Key Research and Development Program of China (Grant No. 2018YFC0808800), the Natural Science Foundation of Jiangsu Higher Education Institutions, China (Grant No. 17KJA460002), and the "Six Talent Peaks" of Jiangsu Province, China (Grant No. GDZB-002).
You-Jun Ye(叶有俊), Le Qin (秦乐), Jing Li (李京), Lin Liu(刘麟), and Ling-Kang Wu(吴凌康) Atomistic simulations on adhesive contact of single crystal Cu and wear behavior of Cu-Zn alloy 2021 Chin. Phys. B 30 026801
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