Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

Effects of substrate surface roughness and nano/micro particle additive size on friction and wear in lubricated sliding

(2018) Laura Peña-Parás et al.   TRIBOLOGY INTERNATIONAL

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

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

Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)

(2017) Jejoon Yeon et al.   JOURNAL OF PHYSICAL CHEMISTRY B

ReaxFF Reactive Force-Field Study of Molybdenum Disulfide (MoS2)

(2017) Alireza Ostadhossein et al.   Journal of Physical Chemistry Letters

Molecular Dynamics Studies of Overbased Detergents on a Water Surface

(2017) M. S. Bodnarchuk et al.   LANGMUIR

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

Nonequilibrium molecular dynamics simulations of stearic acid adsorbed on iron surfaces with nanoscale roughness

(2017) James P. Ewen et al.   TRIBOLOGY INTERNATIONAL

Correlating Molecular Structure to the Behavior of Linear Styrene–Butadiene Viscosity Modifiers

(2017) Uma Shantini Ramasamy et al.   TRIBOLOGY LETTERS

Thickening Mechanisms of Polyisobutylene in Polyalphaolefin

(2017) Michelle Len et al.   TRIBOLOGY LETTERS

Comment on: Rheology of an Ionic Liquid with Variable Carreau Exponent: A Full Picture by Molecular Simulation with Experimental Contribution, by Nicolas Voeltzel, Philippe Vergne, Nicolas Fillot, Nathalie Bouscharain, Laurent Joly, Tribology Letters (2016) 64:25

(2017) H. A. Spikes   TRIBOLOGY LETTERS

Reply to the “Comment on ‘Rheology of an Ionic Liquid with Variable Carreau Exponent: A Full Picture by Molecular Simulation with Experimental Contribution,’ by N. Voeltzel, P. Vergne, N. Fillot, N. Bouscharain, L. Joly, Tribology Letters (2016) 64:25” by H. A. Spikes

(2017) Nicolas Voeltzel et al.   TRIBOLOGY LETTERS

Modeling self-assembly of surfactants at interfaces

(2017) Beena Rai et al.   Current Opinion in Chemical Engineering

Influence of tribology on global energy consumption, costs and emissions

(2017) Kenneth Holmberg et al.   Friction

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

ReaxFF+—A New Reactive Force Field Method for the Accurate Description of Ionic Systems and Its Application to the Hydrolyzation of Aluminosilicates

(2016) Oliver Böhm et al.   Journal of Physical Chemistry C

Flow measurements of a polyphenyl ether oil in an elastohydrodynamic contact

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

Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study

(2016) Andrew Z. Summers et al.   LANGMUIR

Molecular Dynamics Simulations of Glycerol Monooleate Confined between Mica Surfaces

(2016) Joshua L. Bradley-Shaw et al.   LANGMUIR

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

(2016) James P. Ewen et al.   LANGMUIR

Comparative Adsorption of Saturated and Unsaturated Fatty Acids at the Iron Oxide/Oil Interface

(2016) Mary H. Wood et al.   LANGMUIR

Mixed lubrication of steel by C18 fatty acids revisited. Part II: Influence of some key parameters

(2016) S. Loehlé et al.   TRIBOLOGY INTERNATIONAL

Effect of Molecular-Scale Features on the Polymer Coil Size of Model Viscosity Index Improvers

(2016) Uma Shantini Ramasamy et al.   TRIBOLOGY LETTERS

Rheology of an Ionic Liquid with Variable Carreau Exponent: A Full Picture by Molecular Simulation with Experimental Contribution

(2016) Nicolas Voeltzel et al.   TRIBOLOGY LETTERS

Nonequilibrium Molecular Dynamics Investigation of the Reduction in Friction and Wear by Carbon Nanoparticles Between Iron Surfaces

(2016) James P. Ewen et al.   TRIBOLOGY LETTERS

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

(2016) Laetitia Martinie et al.   TRIBOLOGY LETTERS

Effect of Base Oil Structure on Elastohydrodynamic Friction

(2016) Jie Zhang et al.   TRIBOLOGY LETTERS

Critical length scale controls adhesive wear mechanisms

(2016) Ramin Aghababaei et al.   Nature Communications

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

(2016) James Ewen et al.   Materials

Influence of Chain Stiffness, Grafting Density and Normal Load on the Tribological and Structural Behavior of Polymer Brushes: A Nonequilibrium-Molecular-Dynamics Study

(2016) Manjesh Singh et al.   Polymers

Lubricant flow in thin-film elastohydrodynamic contact under extreme conditions

(2016) P. Sperka et al.   Friction

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

(2016) D. Savio et al.   Science Advances

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Molecular dynamics simulation of mechanism of nanoparticle in improving load-carrying capacity of lubricant film

(2015) Chengzhi Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO  and LAMMPS

(2015) Changru Ma et al.   COMPUTER PHYSICS COMMUNICATIONS

A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimer-linear polymer blends

(2015) Elnaz Hajizadeh et al.   JOURNAL OF CHEMICAL PHYSICS

A localized momentum constraint for non-equilibrium molecular dynamics simulations

(2015) E. R. Smith et al.   JOURNAL OF CHEMICAL PHYSICS

Glycerol Monooleate Reverse Micelles in Nonpolar Solvents: Computer Simulations and Small-Angle Neutron Scattering

(2015) Joshua L. Bradley-Shaw et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electrotunable Friction with Ionic Liquid Lubricants: How Important Is the Molecular Structure of the Ions?

(2015) O. Y. Fajardo et al.   Journal of Physical Chemistry Letters

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

Polymer Brushes under Shear: Molecular Dynamics Simulations Compared to Experiments

(2015) Manjesh K. Singh et al.   LANGMUIR

Molecular Dynamics Study of Alkylsilane Monolayers on Realistic Amorphous Silica Surfaces

(2015) Jana E. Black et al.   LANGMUIR

Nanolubrication by ionic liquids: molecular dynamics simulations reveal an anomalous effective rheology

(2015) Nicolas Voeltzel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The structures of hexadecylamine films adsorbed on iron-oxide surfaces in dodecane and hexadecane

(2015) Michael Doig et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A molecular dynamics study of CaCO3 nanoparticles in a hydrophobic solvent with a stearate co-surfactant

(2015) Michael S. Bodnarchuk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Applicability of Macroscopic Wear and Friction Laws on the Atomic Length Scale

(2015) S. J. Eder et al.   PHYSICAL REVIEW LETTERS

Scrutinizing evidence of no dilatancy upon stick–slip of confined fluids

(2015) Ah-Young Jee et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

On the question of whether lubricants fluidize in stick–slip friction

(2015) Irit Rosenhek-Goldian et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular dynamics simulation on the tribology properties of two hard nanoparticles (diamond and silicon dioxide) confined by two iron blocks

(2015) Chengzhi Hu et al.   TRIBOLOGY INTERNATIONAL

Mixed lubrication of steel by C18 fatty acids revisited. Part I: Toward the formation of carboxylate

(2015) S. Loehlé et al.   TRIBOLOGY INTERNATIONAL

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

(2015) Pinzhi Liu et al.   TRIBOLOGY LETTERS

In Situ Study of Model Organic Friction Modifiers Using Liquid Cell AFM; Saturated and Mono-unsaturated Carboxylic Acids

(2015) S. Campen et al.   TRIBOLOGY LETTERS

Predicting Pressure–Viscosity Behavior from Ambient Viscosity and Compressibility: Challenges and Opportunities

(2015) Uma Shantini Ramasamy 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

Friction Modifier Additives

(2015) Hugh Spikes   TRIBOLOGY LETTERS

On the Commonality Between Theoretical Models for Fluid and Solid Friction, Wear and Tribochemistry

(2015) Hugh Spikes et al.   TRIBOLOGY LETTERS

Mechanistic Studies in Friction and Wear of Bulk Materials

(2014) W. Gregory Sawyer et al.   Annual Review of Materials Research

Molecular dynamics investigation of the effect of copper nanoparticle on the solid contact between friction surfaces

(2014) Chengzhi Hu et al.   APPLIED SURFACE SCIENCE

Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations

(2014) Elnaz Hajizadeh et al.   JOURNAL OF CHEMICAL PHYSICS

A new and effective method for thermostatting confined fluids

(2014) Sergio De Luca et al.   JOURNAL OF CHEMICAL 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

Boundary-controlled barostats for slab geometries in molecular dynamics simulations

(2014) C. Gattinoni et al.   PHYSICAL REVIEW E

Molecular dynamics simulation on the friction properties of nanofluids confined by idealized surfaces

(2014) Chengzhi Hu et al.   TRIBOLOGY INTERNATIONAL

History, Origins and Prediction of Elastohydrodynamic Friction

(2014) Hugh Spikes et al.   TRIBOLOGY LETTERS

Evidence of Plug Flow in Rolling–Sliding Elastohydrodynamic Contact

(2014) P. Šperka et al.   TRIBOLOGY LETTERS

The effect of boundary slip on elastohydrodynamic lubrication

(2014) Aleks Ponjavic et al.   RSC Advances

Reactive Potentials for Advanced Atomistic Simulations

(2013) Tao Liang et al.   Annual Review of Materials Research

The effect of nanoparticles on thin film elasto-hydrodynamic lubrication

(2013) Hamed Ghaednia et al.   APPLIED PHYSICS LETTERS

Computational investigation of the mechanical and tribological responses of amorphous carbon nanoparticles

(2013) Eric W. Bucholz et al.   JOURNAL OF APPLIED PHYSICS

A comparative study by the grand canonical Monte Carlo and molecular dynamics simulations on the squeezing behavior of nanometers confined liquid films

(2013) Yongsheng Leng et al.   JOURNAL OF CHEMICAL PHYSICS

Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics

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

On the Green-Kubo relationship for the liquid-solid friction coefficient

(2013) Lydéric Bocquet et al.   JOURNAL OF CHEMICAL PHYSICS

Refined OPLS All-Atom Force Field Parameters for n-Pentadecane, Methyl Acetate, and Dimethyl Phosphate

(2013) Krzysztof Murzyn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Tribochemistry of Phosphoric Acid Sheared between Quartz Surfaces: A Reactive Molecular Dynamics Study

(2013) Da-Chuan Yue et al.   Journal of Physical Chemistry C

Molecular dynamics simulation of atomic friction: A review and guide

(2013) Yalin Dong et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

On the Derjaguin Offset in Boundary-Lubricated Nanotribological Systems

(2013) Stefan J. Eder et al.   LANGMUIR

Effect of Water on Structural and Frictional Properties of Self Assembled Monolayers

(2013) Leyla Ramin et al.   LANGMUIR

Structure and Friction of Stearic Acid and Oleic Acid Films Adsorbed on Iron Oxide Surfaces in Squalane

(2013) Michael Doig et al.   LANGMUIR

Hexadecylamine Adsorption at the Iron Oxide–Oil Interface

(2013) Mary H. Wood et al.   LANGMUIR

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

(2013) Chiara Gattinoni et al.   PHYSICAL REVIEW E

Colloquium: Modeling friction: From nanoscale to mesoscale

(2013) Andrea Vanossi et al.   REVIEWS OF MODERN PHYSICS

Through-Thickness Velocity Profile Measurements in an Elastohydrodynamic Contact

(2013) Aleks Ponjavic et al.   TRIBOLOGY LETTERS

Mixed Lubrication with C18 Fatty Acids: Effect of Unsaturation

(2013) Sophie Loehle et al.   TRIBOLOGY LETTERS

Response theory for confined systems

(2012) Stefano Bernardi et al.   JOURNAL OF CHEMICAL PHYSICS

Frictional properties of two alkanethiol self assembled monolayers in sliding contact: Odd-even effects

(2012) Leyla Ramin et al.   JOURNAL OF CHEMICAL PHYSICS

Transient-time correlation function applied to mixed shear and elongational flows

(2012) Remco Hartkamp et al.   JOURNAL OF CHEMICAL PHYSICS

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

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

(2012) Andreas W. Götz et al.   Journal of Chemical Theory and Computation

Effect of varying the 1–4 intramolecular scaling factor in atomistic simulations of long-chain N-alkanes with the OPLS-AA model

(2012) Xianggui Ye et al.   JOURNAL OF MOLECULAR MODELING

Frictional Properties of Mixed Fluorocarbon/Hydrocarbon Silane Monolayers: A Simulation Study

(2012) J. Ben Lewis et al.   LANGMUIR

Shear viscosity of linear alkanes through molecular simulations: quantitative tests forn-decane andn-hexadecane

(2012) Rajdeep Singh Payal et al.   MOLECULAR SIMULATION

Lubrication mechanisms of hollow-core inorganic fullerene-like nanoparticles: coupling experimental and computational works

(2012) I Lahouij et al.   NANOTECHNOLOGY

Control-volume representation of molecular dynamics

(2012) E. R. Smith et al.   PHYSICAL REVIEW E

Evidence of lubricant slip on steel surface in EHL contact

(2012) P.L. Wong et al.   TRIBOLOGY INTERNATIONAL

A Model for Wall Slip Prediction of Confined n-Alkanes: Effect of Wall-Fluid Interaction Versus Fluid Resistance

(2012) D. Savio et al.   TRIBOLOGY LETTERS

Antiwear Chemistry of ZDDP: Coupling Classical MD and Tight-Binding Quantum Chemical MD Methods (TB-QCMD)

(2012) Tasuku Onodera et al.   TRIBOLOGY LETTERS

On the Increase in Boundary Friction with Sliding Speed

(2012) Sophie Campen et al.   TRIBOLOGY LETTERS

Molecular dynamics investigation of the lubrication mechanism of carbon nano-onions

(2011) Eric W. Bucholz et al.   COMPUTATIONAL MATERIALS SCIENCE

Energy dissipation in non-isothermal molecular dynamics simulations of confined liquids under shear

(2011) Hassan Berro et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of mixed lubrication with smooth particle post-processing

(2011) S Eder et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effect of molecular structure on liquid slip

(2011) Ajay Vadakkepatt et al.   PHYSICAL REVIEW E

Stick-Slip Friction and Energy Dissipation in Boundary Lubrication

(2011) Yajie Lei et al.   PHYSICAL REVIEW LETTERS

Friction mechanism of individual multilayered nanoparticles

(2011) O. Tevet et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Slip boundary conditions based on molecular kinetic theory: The critical shear stress and the energy dissipation at the liquid–solid interface

(2011) Feng-Chao Wang et al.   Soft Matter

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

Molecular Simulations of Kinetic-Friction Modification in Nanoscale Fluid Layers

(2011) Matthew R. Farrow et al.   TRIBOLOGY LETTERS

Historical Perspective and Current Outlook for Molecular Dynamics As a Chemical Engineering Tool

(2010) E. J. Maginn et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A new algorithm for extended nonequilibrium molecular dynamics simulations of mixed flow

(2010) Thomas A. Hunt et al.   JOURNAL OF CHEMICAL PHYSICS

Thermostating highly confined fluids

(2010) Stefano Bernardi et al.   JOURNAL OF CHEMICAL PHYSICS

Limitations and recommendations for the calculation of shear viscosity using reverse nonequilibrium molecular dynamics

(2010) Craig M. Tenney et al.   JOURNAL OF CHEMICAL PHYSICS

Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton

(2010) Chris Knight et al.   Journal of Chemical Theory and Computation

Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on Nascent Iron Surface: A Hybrid Quantum Chemical/Classical Molecular Dynamics Study

(2010) Tasuku Onodera et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

A Computational Chemistry Study on Friction of h-MoS2. Part II. Friction Anisotropy

(2010) Tasuku Onodera et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Temperature control in molecular dynamic simulations of non-equilibrium processes

(2010) Dawid Toton et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nanotribology of water confined between hydrophilic alkylsilane self-assembled monolayers

(2010) Christian D Lorenz et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Direct evidence for fluid–solid transition of nanoconfined fluids

(2010) Hugh Docherty et al.   Soft Matter

Molecular dynamics simulation of surface energy and ZDDP effects on friction in nano-scale lubricated contacts

(2010) Hassan Berro et al.   TRIBOLOGY INTERNATIONAL

Determining the Local Shear Viscosity of a Lipid Bilayer System by Reverse Non-Equilibrium Molecular Dynamics Simulations

(2009) Thomas J. Müller et al.   CHEMPHYSCHEM

A Computational Chemistry Study on Friction of h-MoS2. Part I. Mechanism of Single Sheet Lubrication

(2009) Tasuku Onodera et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

Ab initiobased multiscale modelling for materials science

(2009) G Makov et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Rheology and high-pressure models for quantitative elastohydrodynamics

(2009) S Bair   PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART J-JOURNAL OF ENGINEERING TRIBOLOGY

Hybrid atomistic simulation methods for materials systems

(2009) N Bernstein et al.   REPORTS ON PROGRESS IN PHYSICS

Friction Properties of Carbon Nano-Onions from Experiment and Computer Simulations

(2009) L. Joly-Pottuz et al.   TRIBOLOGY LETTERS

Understanding the Role of Nanoparticles in Nano-oil Lubrication

(2009) Kwangho Lee et al.   TRIBOLOGY LETTERS

Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance

(2008) Shuwei Xia et al.   CORROSION SCIENCE

Effects of unsaturation on film structure and friction of fatty acids in a model base oil

(2008) S.M. Lundgren et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Modeling of Aqueous Poly(oxyethylene) Solutions:  1. Atomistic Simulations

(2008) Jan Fischer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Recent advances in single-asperity nanotribology

(2008) Izabela Szlufarska et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Hydration force and dynamic squeeze-out of hydration water under subnanometer confinement

(2008) Yongsheng Leng   JOURNAL OF PHYSICS-CONDENSED MATTER

Generalized Langevin equation for solids. II. Stochastic boundary conditions for nonequilibrium molecular dynamics simulations

(2008) L. Kantorovich et al.   PHYSICAL REVIEW B

Slip at High Shear Rates

(2008) Ashlie Martini et al.   PHYSICAL REVIEW LETTERS

Tribological Properties of Carbon Nanopearls Synthesized by Nickel-Catalyzed Chemical Vapor Deposition

(2008) C. N. Hunter et al.   TRIBOLOGY LETTERS

Experimental and Molecular Dynamics Simulations of Tribochemical Reactions with ZDDP: Zinc Phosphate–Iron Oxide Reaction

(2008) Clotilde Minfray et al.   TRIBOLOGY TRANSACTIONS