Advances in nonequilibrium molecular dynamics simulations of lubricants and additives
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Published version
Author(s)
Ewen, J
Heyes, D
Dini, D
Type
Journal Article
Abstract
Nonequilibrium molecular dynamics (NEMD) simulations have provided unique insights into the nanoscale behaviour of lubricants under shear. This review discusses the early history of NEMD and its progression from a tool to corroborate theories of the liquid state, to an instrument that can directly evaluate important fluid properties, towards a potential design tool in tribology. The key methodological advances which have allowed this evolution are also highlighted. This is followed by a summary of bulk and confined NEMD simulations of liquid lubricants and lubricant additives, as they have progressed from simple atomic fluids to ever more complex, realistic molecules. The future outlook of NEMD in tribology, including the inclusion of chemical reactivity for additives, and coupling to continuum methods for large systems, is also briefly discussed.
Date Issued
2018-12-01
Date Acceptance
2017-12-26
Citation
Friction, 2018, 6 (4), pp.349-386
ISSN
2223-7704
Publisher
SpringerOpen
Start Page
349
End Page
386
Journal / Book Title
Friction
Volume
6
Issue
4
Copyright Statement
© The author(s) 2018. The articles published in this journal are distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
License URL
Sponsor
Engineering & Physical Science Research Council (E
Lubricants UK Ltd
Engineering & Physical Science Research Council (EPSRC)
Engineering and Physical Sciences Research Council
Engineering and Physical Sciences Research Council
Identifier
https://link.springer.com/article/10.1007/s40544-018-0207-9
Grant Number
EPSRC Fellowship Smith
See further info
EP/N025954/1
CASE Studentship
Publication Status
Published
Date Publish Online
2018-02-12