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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CITATION STYLE
Ewen, J. P., Fernández, E. R., Smith, E. R., & Dini, D. (2020). Nonequilibrium molecular dynamics simulations of tribological systems. In CISM International Centre for Mechanical Sciences, Courses and Lectures (Vol. 593, pp. 95–130). Springer International Publishing. https://doi.org/10.1007/978-3-030-20377-1_3
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