LAUSR

The thermal neutron scattering cross-section of a solid depends on the energy (or wavelength) of the incident neutrons. Being able to calculate the energy dependence from first principles, without the approximations built in the scattering theory, has been a major undertaking in nuclear engineering. Here we demonstrate such calculations using the program OCLIMAX. Our approach eliminates various approximations and limitations involved in a regular calculation with the LEAPR module of NJOY code, and the results are compared with available experimental and theoretical data. It is also demonstrated how additional insight can be obtained from the calculated full dynamical structure factor. The results reported here show the great potential and excellent platform OCLIMAX provides for future development in the study of neutron thermalization in solid materials for different applications.