Influence of tribology on global energy consumption, costs and emissions

K Holmberg, A Erdemir - Friction, 2017 - Springer
Calculations of the impact of friction and wear on energy consumption, economic
expenditure, and CO 2 emissions are presented on a global scale. This impact study covers …

Continuous transition from double-layer to Faradaic charge storage in confined electrolytes

S Fleischmann, Y Zhang, X Wang, PT Cummings, J Wu… - Nature Energy, 2022 - nature.com
The capacitance of the electrochemical interface has traditionally been separated into two
distinct types: non-Faradaic electric double-layer capacitance, which involves charge …

Ionic liquids behave as dilute electrolyte solutions

MA Gebbie, M Valtiner, X Banquy… - Proceedings of the …, 2013 - National Acad Sciences
We combine direct surface force measurements with thermodynamic arguments to
demonstrate that pure ionic liquids are expected to behave as dilute weak electrolyte …

Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

JP Ewen, DM Heyes, D Dini - Friction, 2018 - Springer
Nonequilibrium molecular dynamics (NEMD) simulations have provided unique insights into
the nanoscale behaviour of lubricants under shear. This review discusses the early history of …

The role of molecular modeling in confined systems: impact and prospects

KE Gubbins, YC Liu, JD Moore… - Physical Chemistry …, 2011 - pubs.rsc.org
Molecular modeling at the electronic and atomistic levels plays an important and
complementary role to experimental studies of confinement effects. Theory and atomistic …

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 …

Thermodynamics of confined nano-phases

KE Gubbins, Y Long, M Śliwinska-Bartkowiak - The Journal of Chemical …, 2014 - Elsevier
We consider a phase of nano-scale dimensions (the adsorbate) confined within a porous
material, and in thermal, chemical and mechanical equilibrium with a bulk phase of fixed …

The ω3 scaling of the vibrational density of states in quasi-2D nanoconfined solids

Y Yu, C Yang, M Baggioli, AE Phillips… - Nature …, 2022 - nature.com
The vibrational properties of crystalline bulk materials are well described by Debye theory,
which successfully predicts the quadratic ω 2 low-frequency scaling of the vibrational density …

MoSDeF, a python framework enabling large-scale computational screening of soft matter: Application to chemistry-property relationships in lubricating monolayer …

AZ Summers, JB Gilmer, CR Iacovella… - Journal of Chemical …, 2020 - ACS Publications
We demonstrate how the recently developed Python-based Molecular Simulation and
Design Framework (MoSDeF) can be used to perform molecular dynamics screening of …

Direct measurement of surface forces: recent advances and insights

W Lin, J Klein - Applied Physics Reviews, 2021 - pubs.aip.org
The direct measurement of forces between atomically smooth mica surfaces down to sub-
nanometer separation was pioneered over 50 years ago and has yielded deep …