Molecular dynamics simulation of friction coefficient of Fe-Al during lubrication

Computational Materials Science（2023）

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摘要

•Adsorption models of n-hexadecane, tetradecyl alcohol, T309 and EAK on Al (111) plane were built by DFT.•Confined shear process of the lubricant system mixed with four molecules in Fe-Al system was simulated by MD.•Friction coefficient of the lubricant in Fe-Al system sliding was calculated and measured.

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关键词

Density Functional Theory,Molecular Dynamics,Reciprocating Friction-wear Test,Tribological Properties

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