| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Dequidt, Alain
University of Clermont Auvergne
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2022Molecular interactions at the metal–liquid interfacescitations
- 2021Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulationscitations
- 2015Role of Dynamical Heterogeneities on the Viscoelastic Spectrum of Polymers: A Stochastic Continuum Mechanics Modelcitations
- 2013Mechanical Properties of Thin Confined Polymer Films Close to the Glass Transition in the Linear Regime of Deformation: Theory and Simulations
- 2012Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations.citations
- 2012Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations
- 2008Sliding planar anchoring and viscous surface torque in a cholesteric liquid crystalcitations
Places of action
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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.