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List of works by Frédéric Leroy

A steady-state non-equilibrium molecular dynamics approach for the study of evaporation processes.

scientific article

Are there stable ion-pairs in room-temperature ionic liquids? Molecular dynamics simulations of 1-n-butyl-3-methylimidazolium hexafluorophosphate

scientific article published in November 2009

Atomistic and Coarse-Grained Modeling of the Adsorption of Graphene Nanoflakes at the Oil-Water Interface

scientific article published on 3 February 2018

Can Continuum Thermodynamics Characterize Wenzel Wetting States of Water at the Nanometer Scale?

scientific article published in May 2012

Communication: Is a coarse-grained model for water sufficient to compute Kapitza conductance on non-polar surfaces?

scientific article published in October 2017

Correlation between thermal conductivity and bond length alternation in carbon nanotubes: a combined reverse nonequilibrium molecular dynamics--crystal orbital analysis

scientific article published on 01 January 2011

Corresponding-states behavior of a dipolar model fluid with variable dispersion interactions and its relevance to the anomalies of hydrogen fluoride

scientific article published on 01 June 2016

Dry-Surface Simulation Method for the Determination of the Work of Adhesion of Solid-Liquid Interfaces

scientific article published on 21 July 2015

Effect of nanoroughness on highly hydrophobic and superhydrophobic coatings.

scientific article published on 11 October 2012

Evaporation of nanodroplets on heated substrates: a molecular dynamics simulation study

scientific article

Formation of coffee-stain patterns at the nanoscale: The role of nanoparticle solubility and solvent evaporation rate

scientific article published on March 2017

Influence of contact-line curvature on the evaporation of nanodroplets from solid substrates

scientific article published on 21 July 2014

Influence of longitudinal isotope substitution on the thermal conductivity of carbon nanotubes: results of nonequilibrium molecular dynamics and local density functional calculations

scientific article published in April 2014

Interfacial entropy of water on rigid hydrophobic surfaces

scientific article published on 26 July 2013

Interfacial excess free energies of solid-liquid interfaces by molecular dynamics simulation and thermodynamic integration

scientific article published on 16 March 2009

Interfacial properties of an ionic liquid by molecular dynamics

scientific article published in May 2010

Interfacial tension does not drive asymmetric nanoscale electrowetting on graphene

scientific article published on 16 April 2015

Keggin polyoxoanions in aqueous solution: ion pairing and its effect on dynamic properties by molecular dynamics simulations

scientific article published on July 2008

Mechanism for Asymmetric Nanoscale Electrowetting of an Ionic Liquid on Graphene

scientific article published on 22 December 2015

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface

scientific article published in April 2018

Pinning of the Contact Line during Evaporation on Heterogeneous Surfaces: Slowdown or Temporary Immobilization? Insights from a Nanoscale Study

scientific article published in July 2015

Rationalization of the behavior of solid-liquid surface free energy of water in Cassie and Wenzel wetting states on rugged solid surfaces at the nanometer scale

scientific article published on 13 December 2010

Revisiting the droplet simulation approach to derive force-field parameters for water on molybdenum disulfide from wetting angle measurements

scientific article published on 01 October 2016

Shear viscosity of the ionic liquid 1-n-butyl 3-methylimidazolium hexafluorophosphate [bmim][pf6] computed by reverse nonequilibrium molecular dynamics

scientific article published on 18 June 2008

Solid-Liquid Interface Thermal Resistance Affects the Evaporation Rate of Droplets from a Surface: A Study of Perfluorohexane on Chromium Using Molecular Dynamics and Continuum Theory.

scientific article

Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method

scientific article published in July 2010

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method

scientific article published on 01 December 2015

Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: a comparison with experiments

scientific article published on 18 September 2002

Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations.

scientific article published on 27 July 2011

Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations

scientific article published on 18 January 2010

Thermodynamics of atomistic and coarse-grained models of water on nonpolar surfaces

scientific article published in August 2017

What is the contact angle of water on graphene?

scientific article published on 24 January 2013

What makes ionic fluids characteristically ionic? A corresponding-states analysis of the surface tension of an ionic model fluid with variable dispersion interactions

scientific article published in March 2011

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