Recent advances of molecular dynamics simulations in nanotribology

I Srivastava, A Kotia, SK Ghosh, MKA Ali - Journal of Molecular Liquids, 2021 - Elsevier
To improve the efficiency of a machinery component, it is necessary to enhance the quality
of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which …

[LLIBRE][B] Interfacial mechanics: theories and methods for contact and lubrication

J Wang, D Zhu - 2019 - taylorfrancis.com
Understanding the characteristics of material contact and lubrication at tribological interfaces
is of great importance to engineering researchers and machine designers. Traditionally …

[HTML][HTML] Lubricant shear thinning behavior correlated with variation of radius of gyration via molecular dynamics simulations

P Liu, J Lu, H Yu, N Ren, FE Lockwood… - The Journal of chemical …, 2017 - pubs.aip.org
The shear thinning of a lubricant significantly affects lubrication film generation at high shear
rates. The critical shear rate, defined at the onset of shear thinning, marks the transition of …

Anchor group Bottlebrush polymers as oil additive friction modifiers

A Kerr, S Häkkinen, SCL Hall, P Kirkman… - … Applied Materials & …, 2023 - ACS Publications
Surface-tethered polymers have been shown to be an efficient lubrication strategy for
boundary and mixed lubrication by providing a solvated film between solid surfaces. We …

Tribochemistry of fluorinated ZnO nanoparticles and ZDDP lubricated interface and implications for enhanced anti-wear performance at boundary lubricated contacts

K Vyavhare, RB Timmons, A Erdemir, BL Edwards… - Wear, 2021 - Elsevier
Surface-capped zinc oxide (ZnO) nanoparticles were engineered to deliver beneficial anti-
wear and anti-friction chemistries at sliding interfaces with a focus on potentially reducing …

Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations

J Shi, H Li, Y Lu, L Sun, S Xu, X Fan - Applied Surface Science, 2023 - Elsevier
The synergistic effect of organic friction modifiers (OFMs) combining glycerol monolaurate
(GML) and tri-n-octylamine (N888) in base oil is studied by molecular dynamics simulations …

Tribo-catalysis triggered the in-situ formation of amphiphilic molecules to reduce friction and wear

W Song, J Li, C Zeng, C Ouyang, S Sun, K Wang… - Tribology …, 2023 - Elsevier
A coating composed of Au/Ag/Cu was deposited onto steel surfaces to catalyze the
tribochemical reaction of polyalphaolefin (PAO), resulting in the formation of amphiphilic …

Phosphonium-organophosphate modified graphene gel towards lubrication applications

C Gan, T Liang, D Chen, W Li, X Fan, G Tang, B Lin… - Tribology …, 2020 - Elsevier
Graphene oil as an emerging lubricant usually did not achieve the desired lubricity due to
the poor interface compatibility of graphene and base oil, especially at harsh friction …

Molecular dynamics simulations of adsorption behavior of organic friction modifiers on hydrophilic silica surfaces under the effects of surface coverage and contact …

J Shi, M Zhang, J Liu, G Liu, F Zhou - Tribology International, 2021 - Elsevier
Abstracts The effects of surface coverage and contact pressure on the adsorption of organic
friction modifiers (OFMs) on the hydroxylated SiO 2 surfaces were studied by molecular …

Molecules with a TEMPO-based head group as high-performance organic friction modifiers

J Hou, M Tsukamoto, S Hor, X Chen, J Yang, H Zhang… - Friction, 2023 - Springer
High-performance organic friction modifiers (OFMs) added to lubricating oils are crucial for
reducing energy loss and carbon footprint. To establish a new class of OFMs, we measured …