Contributions of Molecular Dynamics Simulations to Elastohydrodynamic Lubrication

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

(2020) Iain J. Prentice et al.   JOURNAL OF CHEMICAL PHYSICS

Measurement of EHD Friction at Very High Contact Pressures

(2020) Jie Zhang et al.   TRIBOLOGY LETTERS

Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE)

(2020) Matthew W. Thompson et al.   MOLECULAR PHYSICS

Enhancing NEMD with automatic shear rate sampling to model viscosity and correction of systematic errors in modeling density: Application to linear and light branched alkanes

(2020) Pavao Santak et al.   JOURNAL OF CHEMICAL PHYSICS

A study of thermal effects in EHL rheology and friction using infrared microscopy

(2020) Jia Lu et al.   TRIBOLOGY INTERNATIONAL

Autonomous molecular design by Monte-Carlo tree search and rapid evaluations using molecular dynamics simulations

(2020) Seiji Kajita et al.   Communications Physics

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

(2020) Lingnan Lin et al.   INTERNATIONAL JOURNAL OF REFRIGERATION-REVUE INTERNATIONALE DU FROID

Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations

(2020) Nikolay D. Kondratyuk et al.   JOURNAL OF CHEMICAL PHYSICS

New strategy for reducing the EHL friction in steel contacts using additive-formed oleophobic boundary films

(2020) Mitjan Kalin et al.   Friction

Mie 16–6 force field predicts viscosity with faster-than-exponential pressure dependence for 2,2,4-trimethylhexane

(2019) Richard A. Messerly et al.   FLUID PHASE EQUILIBRIA

Predicting the pressure dependence of the viscosity of 2,2,4-trimethylhexane using the SAFT coarse-grained force field

(2019) Lingru Zheng et al.   FLUID PHASE EQUILIBRIA

Rheological Properties of Liquids Under Conditions of Elastohydrodynamic Lubrication

(2019) Vikram Jadhao et al.   TRIBOLOGY LETTERS

The pressure dependence of viscosity for 2,2,4 trimethylhexane to 1 GPa along the 20 °C isotherm

(2019) Scott Bair   FLUID PHASE EQUILIBRIA

A review of current progress in multiscale simulations for fluid flow and heat transfer problems: The frameworks, coupling techniques and future perspectives

(2019) Zi-Xiang Tong et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Correlation between pressure-viscosity coefficient and traction coefficient of the base stocks in traction lubricants: A molecular dynamic approach

(2019) Jie Lu et al.   TRIBOLOGY INTERNATIONAL

Determination of pressure-viscosity relation of 2,2,4-trimethylhexane by all-atom molecular dynamics simulations

(2019) Marco A. Galvani Cunha et al.   FLUID PHASE EQUILIBRIA

Behaviour of n-alkanes confined between iron oxide surfaces at high pressure and shear rate: A nonequilibrium molecular dynamics study

(2019) Sebastián Echeverri Restrepo et al.   TRIBOLOGY INTERNATIONAL

CPL library — A minimal framework for coupled particle and continuum simulation

(2019) E.R. Smith et al.   COMPUTER PHYSICS COMMUNICATIONS

Calculation of viscosities of branched alkanes from 0.1 to 1000 MPa by molecular dynamics methods using COMPASS force field

(2019) Nikolay D. Kondratyuk et al.   FLUID PHASE EQUILIBRIA

On the experimental determination of the repulsive component of the potential from high pressure measurements: What is special about twelve?

(2019) R. Casalini et al.   JOURNAL OF CHEMICAL PHYSICS

Identification and Quantitation of Linear Alkanes in Lubricant Base Oils by Using GC×GC/EI TOF Mass Spectrometry

(2019) Jeremy Manheim et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Viscous Heating in Compressed Liquid Films

(2019) Scott Bair   TRIBOLOGY LETTERS

Why liquids can appear to solidify during squeeze-out – Even when they don’t

(2019) Hongyu Gao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Incremental viscosity by non-equilibrium molecular dynamics and the Eyring model

(2018) D. M. Heyes et al.   JOURNAL OF CHEMICAL PHYSICS

Slip of Alkanes Confined between Surfactant Monolayers Adsorbed on Solid Surfaces

(2018) James P. Ewen et al.   LANGMUIR

CFD modeling compared to temperature and friction measurements of an EHL line contact

(2018) Markus Hartinger et al.   TRIBOLOGY INTERNATIONAL

Modeling and simulation in tribology across scales: An overview

(2018) A.I. Vakis et al.   TRIBOLOGY INTERNATIONAL

Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

(2018) J. P. Ewen et al.   Friction

Stress-augmented thermal activation: Tribology feels the force

(2018) Hugh Spikes   Friction

Optimized Mie Potentials for Phase Equilibria: Application to Branched Alkanes

(2017) Jason R. Mick et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

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

(2017) Pinzhi Liu et al.   JOURNAL OF CHEMICAL PHYSICS

On the effect of confined fluid molecular structure on nonequilibrium phase behaviour and friction

(2017) J. P. Ewen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Shear rates in engines and implications for lubricant design

(2017) RI Taylor et al.   PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART J-JOURNAL OF ENGINEERING TRIBOLOGY

Probing large viscosities in glass-formers with nonequilibrium simulations

(2017) Vikram Jadhao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Reply to Bair: Crossover to Arrhenius behavior at high viscosities in squalane

(2017) Vikram Jadhao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A coupled finite-volume CFD solver for two-dimensional elasto-hydrodynamic lubrication problems with particular application to rolling element bearings

(2017) A. Hajishafiee et al.   TRIBOLOGY INTERNATIONAL

Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

(2016) Sz. Maćkowiak et al.   JOURNAL OF CHEMICAL PHYSICS

Flow measurements of a polyphenyl ether oil in an elastohydrodynamic contact

(2016) Bénédicte Galmiche et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nonequilibrium Molecular Dynamics Simulations of Organic Friction Modifiers Adsorbed on Iron Oxide Surfaces

(2016) James P. Ewen et al.   LANGMUIR

Lubrication at Extreme Conditions: A Discussion About the Limiting Shear Stress Concept

(2016) Laetitia Martinie et al.   TRIBOLOGY LETTERS

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants

(2016) James Ewen et al.   Materials

Boundary lubrication of heterogeneous surfaces and the onset of cavitation in frictional contacts

(2016) D. Savio et al.   Science Advances

AIREBO-M: A reactive model for hydrocarbons at extreme pressures

(2015) Thomas C. O’Connor et al.   JOURNAL OF CHEMICAL PHYSICS

Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method

(2015) Yong Zhang et al.   Journal of Chemical Theory and Computation

A Multiscale Study on the Wall Slip Effect in a Ceramic–Steel Contact With Nanometer-Thick Lubricant Film by a Nano-to-Elastohydrodynamic Lubrication Approach

(2015) D. Savio et al.   JOURNAL OF TRIBOLOGY-TRANSACTIONS OF THE ASME

Pressure–Viscosity Coefficient of Hydrocarbon Base Oil through Molecular Dynamics Simulations

(2015) Pinzhi Liu et al.   TRIBOLOGY LETTERS

Reply to the Comment by Scott Bair, Philippe Vergne, Punit Kumar, Gerhard Poll, Ivan Krupka, Martin Hartl, Wassim Habchi, Roland Larson on “History, Origins and Prediction of Elastohydrodynamic Friction” by Spikes and Jie in Tribology Letters

(2015) Hugh Spikes et al.   TRIBOLOGY LETTERS

Comment on “History, Origins and Prediction of Elastohydrodynamic Friction” by Spikes and Jie

(2015) Scott Bair et al.   TRIBOLOGY LETTERS

Mechanisms for three kinds of limiting shear stresses appearing in the traction modes of viscous, viscoelastic, and glassy states of lubricants

(2014) H. Kobayashi et al.   JOURNAL OF APPLIED PHYSICS

Effect of pressure on the flow behavior of polybutene

(2014) Aleks Ponjavic et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Molecular dynamics pre-simulations for nanoscale computational fluid dynamics

(2014) David M. Holland et al.   Microfluidics and Nanofluidics

History, Origins and Prediction of Elastohydrodynamic Friction

(2014) Hugh Spikes et al.   TRIBOLOGY LETTERS

The effect of boundary slip on elastohydrodynamic lubrication

(2014) Aleks Ponjavic et al.   RSC Advances

A hybrid atomistic–continuum model for fluid flow using LAMMPS and OpenFOAM

(2013) Ian A. Cosden et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics

(2013) Xin Yong et al.   JOURNAL OF CHEMICAL PHYSICS

Traction and nonequilibrium phase behavior of confined sheared liquids at high pressure

(2013) Chiara Gattinoni et al.   PHYSICAL REVIEW E

The Effect of Wetting and Surface Energy on the Friction and Slip in Oil-Lubricated Contacts

(2013) M. Kalin et al.   TRIBOLOGY LETTERS

Pressure dependence of confined liquid behavior subjected to boundary-driven shear

(2012) D. M. Heyes et al.   JOURNAL OF CHEMICAL PHYSICS

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

(2012) Shirley W. I. Siu et al.   Journal of Chemical Theory and Computation

Transferable Potentials for Phase Equilibria–United Atom Description of Five- and Six-Membered Cyclic Alkanes and Ethers

(2012) Samuel J. Keasler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Shear Banding in Molecular Dynamics of Polymer Melts

(2012) Jing Cao et al.   PHYSICAL REVIEW LETTERS

From Continuous to Molecular Scale in Modelling Elastohydrodynamic Lubrication: Nanoscale Surface Slip Effects on Film Thickness and Friction

(2011) N. Fillot et al.   TRIBOLOGY LETTERS

A Review of Elasto-Hydrodynamic Lubrication Theory

(2011) P. M. Lugt et al.   TRIBOLOGY TRANSACTIONS

Molecular dynamics simulations of elastohydrodynamic lubrication oil film

(2010) Hitoshi Washizu et al.   Lubrication Science

A review of the development of hybrid atomistic–continuum methods for dense fluids

(2009) K. M. Mohamed et al.   Microfluidics and Nanofluidics

A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods

(2009) Ronald E Miller et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Hybrid Atomistic/Continuum Study of Contact and Friction Between Rough Solids

(2009) Binquan Luan et al.   TRIBOLOGY LETTERS

CFD Modeling of a Thermal and Shear-Thinning Elastohydrodynamic Line Contact

(2008) Markus Hartinger et al.   JOURNAL OF TRIBOLOGY-TRANSACTIONS OF THE ASME

Slip at High Shear Rates

(2008) Ashlie Martini et al.   PHYSICAL REVIEW LETTERS