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This paper uses machine learning to understand how different phosphorus-based lubricant additives affect friction and wear on iron surfaces. It's important because it provides atomistic-level insights into the mechanisms behind these additives, which can help in designing better lubricants. The study focuses on the impact of molecular structure on tribological performance, offering valuable information for optimizing additive design.
Reference

DBHP exhibits the lowest friction and largest interfacial separation, resulting from steric hindrance and tribochemical reactivity.