Boin, Mirko; Kardjilov, Nikolay; Strobl, Markus; Wimpory, Robert Charles: New sample simulation module for engineering neutron diffraction and imaging applications and instrument development. IKON2 - ESS meeting Malmö, Schweden, 09.02.2012 - 10.02.2012 (2012)
Monte Carlo neutron simulations have proven to be a useful tool for instrument upgrades and developments and validation of experimental results. A new program suite has been created to compute cold and thermal neutron scattering and absorption cross sections. The algorithms have been made reusable and available for the implementation in existing simulation frameworks, such as McStas and VITESS. As a result, a new sample module based on the definition of a unit cell has been developed for both simulation programs. The module is able to handle all 230 space groups and computes the probabilities for neutron-matter interaction inside the sample, such that absorption, transmission, coherent, incoherent, elastic and inelastic scattering can be simulated. Thus, the virtual sample will support both the design of the ESS engineering diffractometer and the imaging beamline as well as the method advancement of Bragg edge transmission applications, for instance. Examples of successfully performed simulations of experiments covering residual stress and texture specimens will be shown.