Ab Initio Molecular Dynamics Simulation of Tribochemical Reactions Involving Phosphorus Additives at Sliding Iron Interfaces

Ab Initio Molecular Dynamics Simulation of Tribochemical Reactions Involving Phosphorus Additives at Sliding Iron Interfaces

We performed, for the first time to our knowledge, fully ab initio molecular dynamics simulations of additive tribochemistry in boundary lubrication conditions. We consider an organophosphourus additive that has been experimentally shown to reduce friction in steel-on-steel sliding contacts thanks t...

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Bibliographic Details
Main Authors: Sophie Loehlé, Maria Clelia Righi
Format: Article
Language:English
Published: MDPI AG 2018-04-01
Series:Lubricants
Subjects:
lubricant additives
boundary lubrication
ab initio molecular dynamics
tribochemistry
organophosphorus additives
Online Access:http://www.mdpi.com/2075-4442/6/2/31

Internet

http://www.mdpi.com/2075-4442/6/2/31

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