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Activation volume in shear-driven chemical reactions
Interfacial shear-driven or shear-assisted chemical reactions play an important role in many
engineering processes, including reactions between lubricant additives and the surfaces of …
engineering processes, including reactions between lubricant additives and the surfaces of …
Contributions of molecular dynamics simulations to elastohydrodynamic lubrication
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 …
one of the most important and controversial areas of tribology. This is mostly because the …
Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level
Lubricated contact processes are studied using classical molecular dynamics simulations for
determining the entire range of the Stribeck curve. Therefore, the lateral movement of two …
determining the entire range of the Stribeck curve. Therefore, the lateral movement of two …
Toward a continuum description of lubrication in highly pressurized nanometer-wide constrictions: The importance of accurate slip laws
The Reynolds lubrication equation (RLE) is widely used to design sliding contacts in
mechanical machinery. While providing an excellent description of hydrodynamic …
mechanical machinery. While providing an excellent description of hydrodynamic …
Evaluation of methods for viscosity simulations of lubricants at different temperatures and pressures: a case study on PAO-2
D Mathas, W Holweger, M Wolf, C Bohnert… - Tribology …, 2021 - Taylor & Francis
The behavior of lubricants at operational conditions, such as at high pressures, is a topic of
great industrial interest. In particular, viscosity and the viscosity-pressure relation are …
great industrial interest. In particular, viscosity and the viscosity-pressure relation are …
Molecular dynamics simulation of the lubricant conformation changes and energy transfer of the confined thin lubricant film
D Liu, H Li, L Huo, K Wang, K Sun, J Wei… - Chemical Engineering …, 2023 - Elsevier
The lubrication system plays an important role in the reliability of moving links for spacecrafts
while lubrication failure has emerged as one of the challenges in develo** advanced …
while lubrication failure has emerged as one of the challenges in develo** advanced …
[HTML][HTML] Transport coefficients of model lubricants up to 400 MPa from molecular dynamics
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 …
cases of model paraffinic and aromatic lubricant liquids at pressures up to 400 MPa. The …
Solid lubricants of combined graphene and iron nanoparticles for study of friction and stability
This study focuses on designing solid lubricant particles by combining graphene and iron
nanoparticles (namely, graphene-iron (GI) particles) and carrying out studies for behaviors …
nanoparticles (namely, graphene-iron (GI) particles) and carrying out studies for behaviors …
Preferential adsorption in mixed electrolytes confined by charged amorphous silica
MF Döpke, J Lützenkirchen… - The Journal of …, 2019 - ACS Publications
Preferential ion adsorption in mixed electrolytes plays a crucial role in many practical
applications, such as ion sensing and separation and in colloid science. Using all-atom …
applications, such as ion sensing and separation and in colloid science. Using all-atom …
Molecular Simulations of Thermal Transport across Iron Oxide–Hydrocarbon Interfaces
The rational design of dielectric fluids for immersion cooling of batteries requires a molecular-
level understanding of the heat flow across the battery casing/dielectric fluid interface. Here …
level understanding of the heat flow across the battery casing/dielectric fluid interface. Here …