Speaker
Description
NCrystal is an open-source software package developed at the European Spallation Source for modelling low-energy neutron transport in materials. It includes models for both inelastic and elastic scattering across a wide range of solid materials, such as polycrystalline and single-crystalline systems, and liquids are currently modelled using pre-computed scattering kernels. Several years ago, a plugin feature was introduced to extend the package with new physics processes, including small-angle neutron scattering, extinction, and magnetic scattering. Here we describe the development of a plugin for modelling neutron interactions in liquids on-the-fly from structural and dynamical data, presenting the methodology alongside several examples, which include water, liquid hydrogen, and liquid deuterium and also discuss future developments.