Fracture des verres d'oxydes par modélisation atomistique

par Zhen Zhang

Projet de thèse en Physique

Sous la direction de Walter Kob et de Simona Ispas.

Thèses en préparation à Montpellier , dans le cadre de École Doctorale Information, Structures, Systèmes (Montpellier ; 2015) , en partenariat avec L2C - Laboratoire Charles Coulomb (laboratoire) et de Département Physique Théorique (equipe de recherche) depuis le 01-11-2016 .


  • Résumé

    The goal of this research project is to obtain a detailed understanding of the mechanisms that are at work in the fracture of oxide glasses. Obtaining this information is not only a very interesting question for fundamental science but also for applications since it will allow in the future to improve the mechanical strength of glasses. The technique that will be used to address this question are ab initio simulations, since these type of simulations are the only ones that allow to get reliable semi-quantitative information on the properties of glasses on the atomic scale. These simulations will be carried out on the computer cluster on the computers of the meso-center of the University of Montpellier, as well as on the machines of the national computer centers.

  • Titre traduit

    Fracture of oxide glasses: Insight from computer simulations on the atomic scale


  • Résumé

    The goal of this research project is to obtain a detailed understanding of the mechanisms that are at work in the fracture of oxide glasses. Obtaining this information is not only a very interesting question for fundamental science but also for applications since it will allow in the future to improve the mechanical strength of glasses. The technique that will be used to address this question are ab initio simulations, since these type of simulations are the only ones that allow to get reliable semi-quantitative information on the properties of glasses on the atomic scale. These simulations will be carried out on the computer cluster on the computers of the meso-center of the University of Montpellier, as well as on the machines of the national computer centers.