Search Results - "Badiali, J.P."

Irreversible behavior in small systems – Solvent effect and calculation of a chemical rate constant by Badiali, J.P.

“…► A quantum Smoluchovski equation is derived from a path integral formalism. ► In presence of a solvent model a transition towards a classical regime is…”
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Stochastic approach and irreversible chemical reactions in small systems by Badiali, J.P.

“…► The equation is proposed to describe the behavior of localized state in a box with symmetric double well potential. ► The approach is presented to calculate…”
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Mesoscopic modelling of corrosion phenomena: Coupling between electrochemical and mechanical processes, analysis of the deviation from the Faraday law by Vautrin-Ul, C., Taleb, A., Stafiej, J., Chaussé, A., Badiali, J.P.

“…We present numerical simulations of corrosion processes in a simple automata cellular model at a mesoscopic scale. We observe that small pieces of the material…”
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Diffusion, interactions and universal behavior in a corrosion growth model by Saunier, J., Dymitrowska, M., Chaussé, A., Stafiej, J., Badiali, J.P.

“…The growth of a layer generated by the corrosion of a metal is investigated with a simple cellular automaton model defined at a mesoscopic scale. As the metal…”
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Cation intercalation under a host restructuring. Application to crystalline LixWO3 and NaxWO3 compounds by Vakarin, E.V., Badiali, J.P.

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Phase behavior under the averaging over disorder realizations by Vakarin, E.V., Dong, W., Badiali, J.P.

“…Effects of the averaging over disorder realizations (samples) on the phase behavior are analyzed in terms of the mean field approximation for the random field…”
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Morphology of corroded surfaces: Contribution of cellular automaton modelling by di Caprio, D., Vautrin-Ul, C., Stafiej, J., Saunier, J., Chaussé, A., Féron, D., Badiali, J.P.

“…► Simple cellular automata model describing uniform and localised corrosion. ► Introduction of a localisation degree which modulate the reactivity in the pit…”
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Time evolution of a small reactive system by J.P. Badiali

“…We investigate the irreversible evolution of a small system in which a chemical reaction takes place. We have two main goals: the first requires to find an…”
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Doping-induced broadening of the hole density-of-states in conducting polymers by Garcia-Belmonte, Germà, Vakarin, Eduard V., Bisquert, Juan, Badiali, J.P.

“…The density-of-states distribution in conducting polymers reflects the energy disorder caused by electrostatic and steric interactions resulting from the…”
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Electrochemical response of flexible disordered host matrices under different insertion conditions by Vakarin, E.V., Badiali, J.P.

“…Electrochemical response (insertion isotherms or capacitances) of disordered host matrices (porous, amorphous, i.e., conductive polymers) under different kind…”
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A model for electrochemical electron transfer with strong electronic coupling by Mohr, J., Schmickler, W., Badiali, J.P.

“…Electron exchange between a metal or semiconducting electrode and a solvated reactant is calculated by Green-function techniques. In the wide band…”
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Numerical simulations of spatial heterogeneity formation in metal Corrosion by Vautrin-Ul, C., Mendy, H., Taleb, A., Chausse, A., Stafiej, J., Badiali, J.P.

“…We use a cellular automata model to describe an example of pitting corrosion process. The process is initiated by a local damage of the protective layer…”
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Stochastic simulation of destruction processes in self-irradiated materials by Patsahan, T, Taleb, A, Stafiej, J, Holovko, M, Badiali, J P

“…Self-irradiation damages resulting from fission processes are common phenomena observed in nuclear fuel containing (NFC) materials. Numerous α-decays lead to…”
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In memory of Eduard Vakarin by J.P. Badiali, D. di Caprio, M.F. Holovko

“…On May 22, 2015 a sudden regrettable death took away Eduard Vakarin at an early age. Although Vakarin never held a prominent academic position, he established…”
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Simulations of diffusion limited corrosion at the metal|environment interface by Saunier, J., Chaussé, A., Stafiej, J., Badiali, J.P.

“…Using a simple cellular automaton model we describe the role of diffusion and reaction processes in a corrosion phenomenon in which there is formation of an…”
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On the double phase-transition of fluids adsorbed in disordered porous media by Vakarin, E.V., Dong, W., Badiali, J.P.

“…The phase transition of a fluid adsorbed in a heterogeneous system is studied within a mean-field approach to the lattice gas model with quenched impurities…”
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Reprint of “Mesoscopic modelling of corrosion phenomena: Coupling between electrochemical and mechanical processes, analysis of the deviation from the Faraday law” by Vautrin-Ul, C., Taleb, A., Stafiej, J., Chaussé, A., Badiali, J.P.

“…We present numerical simulations of corrosion processes in a simple automata cellular model at a mesoscopic scale. We observe that small pieces of the material…”
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Cation intercalation under a host restructuring. Application to crystalline Li xWO 3 and Na xWO 3 compounds by Vakarin, E.V., Badiali, J.P.

“…Employing an elastic lattice gas (LG) model we investigate the intercalation of ions into a host material, undergoing a sequence of structural transformations…”
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Role of structural fluctuations in the insertion into complex host matrices by Vakarin, E.V., Badiali, J.P.

“…A coupling of structural and thermodynamic fluctuations in the course of various-type insertion processes is investigated with a combination of Gibbsian…”
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Simulations of Corrosion and Passivation Phenomena:  Diffusion Feedback on the Corrosion Rate by Taleb, A, Chaussé, A, Dymitrowska, M, Stafiej, J, Badiali, J. P

“…We use a simple cellular automata type model to describe the role of diffusion and reaction processes in the formation of films on a surface. At a mesoscopic…”
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