49 citations
- Université d'OrléansFR7 papers
- Centre National de la Recherche ScientifiqueFR5 papers
- KTH Royal Institute of TechnologySE3 papers
- Chalmers University of TechnologySE2 papers
- University of IcelandIS2 papers
- Aix-Marseille UniversitéFR1 paper
- Amirkabir University of TechnologyIR1 paper
- Australian National UniversityAU1 paper
- Florida State UniversityUS1 paper
- Hubei University of TechnologyCN1 paper
- Institut de Chimie des Milieux et des Matériaux de PoitiersFR1 paper
- Institut des Matériaux, de Microélectronique et des Nanosciences de ProvenceFR1 paper
18 papers
Reactive molecular dynamics approach to PFAS plasma oxidation in water
Axel Richard, Pascal Brault, Nicolas Froloff +3
This work establishes a protocol to study via Molecular Dynamics simulation the degradation of Per-and Polyfluoroalkyl Substances (PFAS) in water by hydroxyl radical. To achieve th…
Probing trade-off between critical size and velocity in cold-spray: An atomistic simulation
Mahyar Ghasemi, Alireza Seifi, Movaffaq Kateb +3
The detailed mechanism of bonding in the cold spray process has remained elusive for both experimental and theoretical parties. Adiabatic shear instability and hydrodynamic plastic…
The role of sputtered atom and ion energy distribution in films deposited by Physical Vapor Deposition: A molecular dynamics approach
Soumya Atmane, Maroussiak Alexandre, Amaël Caillard +4
We present a comparative study of copper film growth with a constant energy neutral beam, thermal evaporation, dc magnetron sputtering, high-power impulse magnetron sputtering (HiP…
Evaluating ion dynamics through Coulomb and Yukawa interaction potentials in one component strongly coupled plasmas
Swati Swagatika Mishra, Pascal Brault, Sudeep Bhattacharjee
Atmospheric pressure helium plasmas are investigated through molecular dynamics simulations at room temperature (300 K) for various ionization fractions ()…
Influence of Defects on Barrier Energy Formation for OOH* Intermediate in ORR on Tetragonal-ZrO 2 with Adsorbed-Hydroxyl
Seyedehsara Fazeli, Pascal Brault, Amaël Caillard +4
Accelerating the oxygen reduction reaction (ORR) is a main subject of electrocatalysis research.A critical step of ORR is the formation of the hydroperoxyl functional group (OOH*)…
Mechanism of O influence on the decomposition process of the eco-friendly gas insulating medium CFN/CO
Fanchao Ye, Yitian Chu, Pascal Brault +5
The CFN/CO/O gas mixture is the most promising eco-friendly gas insulation medium available. However, there are few studies on the mechanism of the influence of the…