The use of Monte Carlo calculations in the prediction of quasi-elastic neutron scattering from atoms diffusing in periodic lattices

The application of Monte Carlo techniques to the calculation of quasi-elastic neutron scattering from atoms diffusing in a periodic potential is described. The method is valid for any defect concentration and can be applied to either incoherent or coherent scattering. An analytic expression for coherent scattering from non-interacting defects is also given. \one advantage of the Monte Carlo technique is that it can easily be extended to deal with any hypothetical defect-defect interaction and other situations likely to rise in practice