Molecular dynamics study of tribological properties of nitrile butadiene rubber under dry friction and water lubrication
Purposes—To investigate the micro-lubrication mechanism of nitrile butadiene rubber(NBR)under dry friction and water lubrication.Methods—The tribological properties of NBR under dry friction and water lubrication are simulated by molecular dynamics(MD).Results—Compared with dry friction,the friction coefficient and wear rate of NBR under water lubrication are reduced by 75％and 90％respectively.This is mainly due to the action of water molecules at the friction inter-face,which not only reduces the interface temperature(from 331 K to 301 K),but also increases the atomic concentration and velocity(by about 49％and 6 times,respectively).In addition,through the simulation analysis of radial distribution function(RDF),mean square displacement(MSD)and ki-netic energy,it is found that the interaction between the countpart and NBR molecular chains is weak-ened by the addition of water molecules,and a stable lubricating film is formed.Conclusions—The for-mation of lubricating film is the fundamental reason for improving the tribological properties of NBR.This re-search provides an in-depth understanding of the lubrication mechanism at the atomic level.
friction and wearmolecular dynamic simulationwater lubricationnitrile butadiene rubber
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