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Screened potential constraint in a Reverse Monte Carlo (RMC) simulation

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URI: http://hdl.handle.net/2042/57560
Title: Screened potential constraint in a Reverse Monte Carlo (RMC) simulation
Author: Kotbi, Mohammed
Abstract: Introducing a potential as additional constraint in the RMC modeling, one could obtain some better results. Mismatch between the interaction potential between charges of atomic or molecular species in the system would be taken into account and the method of RMC simulation based on experimental data. Consequently, we could suggest that the choice of the interaction model as a function of atomic or molecular properties forming the system could bring a meaningful improvement to the results.
Subject: RMC modeling; aqueous electrolyte; screened potential
Publisher: AFM, Association Française de Mécanique
Date: 2015

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