HDR de Guillaume Ferlat

Vendredi 16 septembre 2016 à 14 h

IMPMC - UPMC - 4 place Jussieu - 75005 Paris - Barre 22-23, pièce 401

Structural order in disordered systems: contributions from atomistic simulations

Abstract

My research at IMPMC intends to cast light on the local structural order in disordered systems, from network-forming glasses to supercritical aqueous solutions, combining numerical simulations (mostly ab initio molecular dynamics) with experiments (e.g. x-ray absorption spectroscopy). The talk will focus on the paradigmatic case of vitreous B2O3 whose structure has been controversial for years. Through this example the challenges to be faced when simulating the medium-range of glasses will be presented. It will illustrate that understanding the structure of such a simple glass has strong ramifications for our understanding of its properties and for the pressure-temperature induced transitions (polyamorphism).
Finally, perspectives for the coming years will be outlined.

Jury

• M. Noël Jakse (Professeur, Université Grenoble Alpes)
• M. Edouard Kierlik (Professeur, UPMC)
• M. Walter Kob (Professeur, Université Montpellier 2)
• M. Paul McMillan (Professeur, University College London - Royaume-Uni)
• M. Normand Mousseau (Professeur, Université de Montréal - Canada)
• M. Jean-Yves Raty (DR FNRS, Liège - Belgique)

Image : Structure atomique du verre B2O3 obtenue par simulations de dynamique moléculaire  - © Guillaume Ferlat