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Structure and dynamics of model carbon systems… and other less model systems : simulations and experiments

Mardi 26 janvier 2016 16:20 - Duree : 1 heure
Lieu : ILL 4, Seminar Room, 71 avenue des Martyrs - Grenoble

Orateur : Colin BOUSIGE (Institut Lumière Matière, UMR 5306 Université Claude Bernard Lyon 1)

Carbon gives birth to a very diverse bestiary, with objects of macro- and nano-metric size, ordered and disordered systems, insulators and conductors, ductile and fragile compounds... Despite this versatility, a common problematic dwells beneath all these systems : how can we link atomic-scale behaviors to macroscopic properties ? This problematic leads to the study of phase transitions, the role of composition, structure and topology on these properties, etc. To give an answer to these questions, one needs to study the structure and dynamics of these compounds, at a local (atomic) scale and a global (molecular, textural) scale.

In this presentation, I will focus on the combined contribution of molecular simulations and experimental measurements of the structure and the dynamics in two very different systems, nano-peapods and kerogens. Peapods (C60 fullerenes adsorbed inside single walled carbon nanotubes) constitute a model 1D system, stable on a wide (1100 K) temperature range – which is rare in the 1D world. In this system, the joined study of the structure and dynamics allowed studying experimentally some predicted – yet never observed – phenomena in 1D systems. In contrast, kerogen (the organic matrix in shale) is an "anti-model" system, multi-scale, porous and amorphous. In this difficult and poorly known system, I will show how we can still predict important mechanical properties through the development of atomic models and the use of physicist’s tools that were developed in systems considered as model.

Contact : tellier@ill.fr

Discipline évènement : (Physique)
Entité organisatrice : (ILL)
Nature évènement : (Séminaire)
Evènement répétitif : (General ILL Seminar - College 7)
Site de l'évènement : Polygone scientifique

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