Shear heating, flow, and friction of confined molecular fluids at high pressure
File(s)EHL_Temperature_clean.pdf (5.62 MB)
Accepted version
Author(s)
Ewen, James
Gao, Hongyu
Mueser, Martin
Dini, Daniele
Type
Journal Article
Abstract
Understanding the molecular-scale behavior of fluids confined and sheared between solid surfaces is important for many applications, particularly tribology where this often governs the macroscopic frictional response. In this study, nonequilibrium molecular dynamics simulations are performed to investigate the effects of fluid and surface properties on the spatially resolved temperature and flow profiles, as well as friction. The severe pressure and shear rate conditions studied are representative of the elastohydrodynamic lubrication regime. In agreement with tribology experiments, flexible lubricant molecules give low friction, which increases linearly with logarithmic shear rate, while bulky traction fluids show higher friction, but a weaker shear rate dependence. Compared to lubricants, traction fluids show more significant shear heating and stronger shear localization. Models developed for macroscopic systems can be used to describe both the spatially resolved temperature profile shape and the mean film temperature rise. The thermal conductivity of the fluids increases with pressure and is significantly higher for lubricants compared to traction fluids, in agreement with experimental results. In a subset of simulations, the efficiency of the thermostat in one of the surfaces is reduced to represent surfaces with lower thermal conductivity. For these unsymmetrical systems, the flow and the temperature profiles become strongly asymmetric and some thermal slip can occur at the solid-fluid interface, despite the absence of velocity slip. The larger temperature rises and steeper velocity gradients in these cases lead to large reductions in friction, particularly at high pressure and shear rate.
Date Issued
2019-03-14
Date Acceptance
2019-02-18
Citation
Physical Chemistry Chemical Physics, 2019, 21 (10), pp.5813-5823
ISSN
1463-9076
Publisher
Royal Society of Chemistry
Start Page
5813
End Page
5823
Journal / Book Title
Physical Chemistry Chemical Physics
Volume
21
Issue
10
Copyright Statement
© the Owner Societies 2019
Sponsor
Engineering and Physical Sciences Research Council
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/N025954/1
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
UNITED-ATOM DESCRIPTION
SOLID-LIQUID INTERFACES
TRANSFERABLE POTENTIALS
MOMENTUM-TRANSFER
PHASE-EQUILIBRIA
THERMAL-CONDUCTIVITY
CONTINUUM-MECHANICS
DYNAMICS
LUBRICANT
ENERGY
Chemical Physics
02 Physical Sciences
03 Chemical Sciences
Publication Status
Published
Date Publish Online
2019-02-21