Nonequilibrium Molecular Dynamics Simulations of Tribological Systems

Part of the CISM International Centre for Mechanical Sciences book series (CISM, volume 593)


Nonequilibrium molecular dynamics (NEMD) simulations are increasingly being used to investigate the nanoscale behaviour of tribological systems. This chapter focuses on the application of classical NEMD simulations of liquid lubricants and additives confined between solid surfaces. Ab initio NEMD, which can be used to accurately model tribochemsitry, and coupled computational fluid dynamics (CFD)-NEMD are also introduced. Specific example systems and recommendations for future research are provided.


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Copyright information

© CISM International Centre for Mechanical Sciences 2020

Authors and Affiliations

  1. 1.Department of Mechanical EngineeringImperial College LondonLondonUK
  2. 2.Department of Mechanical and Aerospace EngineeringBrunel University LondonUxbridge, MiddlesexUK

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