| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Malfreyt, Patrice
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2022Molecular interactions at the metal–liquid interfacescitations
- 2021Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulationscitations
- 2016Monte Carlo simulations of the static friction between two grafted polymer brushes.citations
- 2015Superpermittivity of nanoconfined water.citations
- 2014Concentration Dependence of the Dielectric Permittivity, Structure and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models.citations
- 2013Nonequilibrium Molecular Simulations of New Ionic Lubricants at Metallic Surfaces: Prediction of the Friction
- 2013Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes.citations
- 2013Novel ionic lubricants for amorphous carbon surfaces : a molecular modelling of the structure and friction.
- 2012Multiscale Modeling Approach toward the Prediction of Viscoelastic Properties of Polymers
Places of action
| Organizations | Location | People |
|---|
article
Molecular interactions at the metal–liquid interfaces
Abstract
International audience ; We reported molecular simulations of the interactions between water, an epoxy prepolymer (DGEBA) and an hardener (IPDA) on an aluminum surface. This work proposes a comprehensive thermodynamic characterization of the adhesion process from the calculation of the different interfacial tensions. The cross-interactions between the atoms of the metal surface and the different molecules are adjusted so as to reproduce the experimental work of adhesion. Water nanodroplets on the metal surface are then simulated to predict its contact angle. Liquid-vapor surface tensions of the epoxy prepolymer (DGEBA) and hardener (IPDA) and the solidvapor surface tension of the aluminum surface are also calculated to provide the solid-liquid interfacial tension that remains very difficult to obtain from the mechanical definition.