Neutron scattering and MD simulations applied to geo-inspired nanotubes

20 Jan 2021, 16:25
25m

Speaker

Arianna D’Angelo (Laboratoire de Physique des Solides, CNRS-Université Paris Saclay and Institut Laue-Langevin)

Description

Imogolite is an aluminosilicate clay mineral, composed of single-walled nanotubes with stoichiometry of 3(OH)Al2O3SiOH, and having a nanometric inner diameter. Thanks to their one-dimensional inner cavity, they are a model system for studying the dynamics of nanoconfined water. We will present, by means of molecular dynamics (MD) simulations, a study of the evolution of the structure and the dynamics of both the nanotube and water adsorbed inside it, as a function of temperature. Simulations will be presented together with the results of elastic and quasielastic neutron scattering experiments, obtained on IN13 and IN16B.

Presentation materials