Physics of fluids confined in nanochannels: A shared space for neutrons and simulation

Abstract

Abstract. 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 viceversa. 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.