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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Thermodynamic and structural properties of binary calcium silicate glasses: insights from molecular dynamics

H Jabraoui1, M Malki2, A Hasnaoui3

  • 1Laboratoire de Chimie et Physique - Approche Multi-Echelle des Milieux Complexes (LCP-A2MC, EA4632), Institut Jean Barriol FR2843 CNRS, Université de Lorraine, Rue Victor Demange, 57500 Saint-Avold, France. Hicham.jabraoui@univ-lorraine.fr and Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036), Institut Jean Barriol, Université de Lorraine, BP 239, Boulevard des Aiguillettes, 54506 Vandœuvre-lès-Nancy-Cedex, France.

Physical Chemistry Chemical Physics : PCCP
|July 14, 2017
PubMed

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