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Modeling and Simulation of Tribological Problems in Technology pp 95–130Cite as

Nonequilibrium Molecular Dynamics Simulations of Tribological Systems

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

Abstract

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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Authors and Affiliations

  1. Department of Mechanical Engineering, Imperial College London, London, SW7 2AZ, UK

    James P. Ewen, Eduardo Ramos Fernández, Edward R. Smith & Daniele Dini

  2. Department of Mechanical and Aerospace Engineering, Brunel University London, Uxbridge, Middlesex, UB8 3PH, UK

    Edward R. Smith

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  1. James P. Ewen
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  2. Eduardo Ramos Fernández
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  4. Daniele Dini
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Correspondence to Daniele Dini .

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  1. IMT School for Advanced Studies Lucca, Lucca, Italy

    Marco Paggi

  2. Department of Engineering Science, University of Oxford, Oxford, UK

    David Hills

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Ewen, J.P., Fernández, E.R., Smith, E.R., Dini, D. (2020). Nonequilibrium Molecular Dynamics Simulations of Tribological Systems. In: Paggi, M., Hills, D. (eds) Modeling and Simulation of Tribological Problems in Technology. CISM International Centre for Mechanical Sciences, vol 593. Springer, Cham. https://doi.org/10.1007/978-3-030-20377-1_3

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