(Ag,Cu)鈥揟a鈥揙 Ternaries As High-Temperature Solid-Lubricant Coatings

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• 作者：Hongyu Gao ; Alberto Otero-de-la-Roza ; Jingjing Gu ; D鈥橝rcy Stone ; Samir M. Aouadi ; Erin R. Johnson ; Ashlie Martini
• 刊名：ACS Applied Materials & Interfaces
• 出版年：2015
• 出版时间：July 22, 2015
• 年：2015
• 卷：7
• 期：28
• 页码：15422-15429
• 全文大小：558K
• ISSN：1944-8252

文摘

Ternary oxides have gained increasing attention due to their potential use as solid lubricants at elevated temperatures. In this work, the tribological properties of three ternary oxides鈥擜gTaO₃, CuTaO₃, and CuTa₂O₆鈥攚ere studied using a combination of density-functional theory (DFT), molecular dynamics (MD) simulations with newly developed empirical potential parameters, and experimental measurements (AgTaO₃ and CuTa₂O₆ only). Our results show that the MD-predicted friction force follows the trend AgTaO₃ < CuTaO₃ < CuTa₂O₆, which is consistent with the experimentally measured coefficients of friction. The wear performance from both MD and experiment exhibits the opposite trend, with CuTa₂O₆ providing the best resistance to wear. The sliding mechanisms are investigated using experimental characterization of the film composition after sliding, quantification of Ag or Cu cluster formation at the interface during the evolution of the film in MD, and DFT energy barriers for atom migration on the material surface. All our observations are consistent with the hypothesis that the formation of metal (or metal oxide) clusters on the surface are responsible for the friction and wear behavior of these materials.