Contributions of molecular dynamics simulations to elastohydrodynamic lubrication

JP Ewen, HA Spikes, D Dini - Tribology Letters, 2021 - Springer
The prediction of friction under elastohydrodynamic lubrication (EHL) conditions remains
one of the most important and controversial areas of tribology. This is mostly because the …

An approach for quantitative EHD friction prediction based on rheological experiments and molecular dynamics simulations

R Xu, L Martinie, P Vergne, L Joly, N Fillot - Tribology Letters, 2023 - Springer
Lubricated friction is controlled by the contact operating conditions, including temperature,
normal load and sliding. In the elastohydrodynamic (EHD) regime, the rheological …

Transport coefficients of model lubricants up to 400 MPa from molecular dynamics

N Kondratyuk, D Lenev, V Pisarev - The Journal of Chemical Physics, 2020 - pubs.aip.org
In this paper, the predictive power of molecular dynamics methods is demonstrated for the
cases of model paraffinic and aromatic lubricant liquids at pressures up to 400 MPa. The …

Combining molecular dynamics and machine learning to analyze shear thinning for alkane and globular lubricants in the low shear regime

I Yasuda, Y Kobayashi, K Endo… - … Applied Materials & …, 2023 - ACS Publications
Lubricants with desirable frictional properties are important in achieving an energy-saving
society. Lubricants at the interfaces of mechanical components are confined under high …

From stress to charge: investigating the piezoelectric response of solvate ionic liquid in structural energy storage composites

Ž Simon, B Dharmasiri, T Harte, PC Sherrell… - Materials …, 2024 - pubs.rsc.org
Solvate ionic liquids (SILs) are a class of ionic liquids where the liquid-state salt is chelated
by a coordinating solvent, and of interest due to their advantageous properties such as low …

Experimental and simulation study of the high-pressure behavior of squalane and poly-α-olefins

IJ Prentice, X Liu, OA Nerushev… - The Journal of …, 2020 - pubs.aip.org
The equation of state, dynamical properties, and molecular-scale structure of squalane and
mixtures of poly-α-olefins at room temperature are studied with a combination of state-of-the …

Molecular adsorption, self-assembly, and friction in lubricants

RFG Apóstolo, G Tsagkaropoulou, PJ Camp - Journal of Molecular Liquids, 2019 - Elsevier
Lubricants are complex fluids consisting of a base oil and many different additives, and are
used to control friction and wear between solid inorganic surfaces in relative motion. A …

Friction properties of carbon nanoparticles (nanodiamond and nanoscroll) confined between DLC and a-SiO2 surfaces

W Zhao, F Duan - Tribology International, 2020 - Elsevier
Friction properties of carbon nanodiamond (CND) and nanoscroll (CNS formed from
graphene patch wrapping around nanodiamond) were studied by nonequilibrium molecular …

Shear heating, flow, and friction of confined molecular fluids at high pressure

JP Ewen, H Gao, MH Müser, D Dini - Physical Chemistry Chemical …, 2019 - pubs.rsc.org
Understanding the molecular-scale behavior of fluids confined and sheared between solid
surfaces is important for many applications, particularly tribology where this often governs …

Effect of loading on the adhesion and frictional characteristics of top layer articular cartilage nanoscale contact: A molecular dynamics study

A Chatterjee, DK Dubey, SK Sinha - Langmuir, 2020 - ACS Publications
Articular cartilage is a water-lubricated naturally occurring biological interface imparting
unique mechanical and ultralow frictional properties in bone joints. Although the material of …