Volume 12, 2011JDN 18 - Neutrons et Simulations
|Page(s)||247 - 262|
|Section||From the Atomic Level Characterisation to Coarse-Grained Descriptions|
|Publié en ligne||9 juin 2011|
Physics of fluids confined in nanochannels: A shared space for neutrons and simulation
Institut de Physique de Rennes, CNRS-Université de Rennes 1, France
Manipulating fluids at the nanoscale by geometrical confinement is a major issue of contemporary condensed matter science. It is also an area of research where the complementarity of neutron scattering and molecular simulation is particularly apparent. In the present contribution, we consider different cases from the recent literature, where structural (diffraction) and dynamical (quasielastic scattering) investigations by neutron methods can benefit from realistic (atomistic) and coarse-grained molecular simulations, and vice-versa. We will emphasize the special benefits and the limitations of each type of approach with the ultimate hope to inspire more scientists to bridge the gap between experiments and simulation.
© Owned by the authors, published by EDP Sciences 2011