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 …

Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: a review

J He, H Tang, C Wang - Journal of Industrial and Engineering Chemistry, 2023 - Elsevier
As a hot topic in recent years, molecular dynamics (MD) simulation has become an effective
tool in tribochemistry and lubrication investigations, which provides unique insight on …

Density and viscosity of a polyol ester lubricant: Measurement and molecular dynamics simulation

L Lin, MA Kedzierski - International Journal of Refrigeration, 2020 - Elsevier
This paper presents new experimental data and detailed molecular dynamics (MD)
simulations of density and viscosity for a typical, pure polyol ester, pentaerythritol …

Effect of polymer structure and chemistry on viscosity index, thickening efficiency, and traction coefficient of lubricants

P Panwar, E Schweissinger, S Maier, S Hilf… - Journal of Molecular …, 2022 - Elsevier
The chemistry and structure of base oil and polymer additive molecules in lubricants directly
affect key performance metrics such as viscosity index, thickening efficiency, and traction …

Molecular dynamics investigation on micro-friction behavior of cylinder liner-piston ring assembly

T Li, J Wu, C Ge, L Wang, Y Yu, X Ma, Z Qiao, H Tang - Tribology Letters, 2023 - Springer
In the vicinity of the top dead center of a diesel engine, the piston rings operate in a low-
speed, high-load, and high-temperature environment, which is detrimental to the formation …

Molecular Dynamics Modeling of Thermal Conductivity of Several Hydrocarbon Base Oils

J Ahmed, QJ Wang, O Balogun, N Ren, R England… - Tribology Letters, 2023 - Springer
This paper is on determination of the thermal conductivities of several hydrocarbon base oils
by means of non-equilibrium molecular dynamics simulations using two different force fields …

[HTML][HTML] Unraveling the pressure-viscosity behavior and shear thinning in glycerol using atomic scale molecular dynamics simulations

VF Naeini, M Björling, JA Larsson, R Larsson - Journal of Molecular Liquids, 2023 - Elsevier
In order to increase the usage and explore new applications of glycerol as a replacement for
fossil-based lubricants its properties needs to be known at the fundamental level. In this …

Effect of film thickness on slip and traction performances in elastohydrodynamic lubrication by a molecular dynamics simulation

J Shi, J Wang, X Yi, X Fan - Tribology Letters, 2021 - Springer
The nonequilibrium molecular dynamics simulations were carried out to study the slip and
traction properties of a traction fluid with effect of film thickness, under high-temperature and …

An experimental and molecular dynamics study of the superlubricity enabled by hydration lubrication

Q Ma, P Qi, G Dong - Applied Surface Science, 2021 - Elsevier
Recently, hydration lubrication has emerged as a promising approach to macroscale liquid
superlubricity. However, the reported methods till now exhibit a long running-in process that …

Atomic-scale insights into degradation mechanisms of lithium-based grease at high temperatures

G Tang, Z Liu, C Qin, Y Pan, Z Liang, F Su - Surfaces and Interfaces, 2025 - Elsevier
Lithium-based grease is extensively used as a lubricant for various mechanical components
such as bearings and gears in offshore wind turbines. Despite its widespread use, under …