Rietveld analysis of powder patterns obtained by TOF neutron diffraction using cold neutron sources

Abstract

A computer program has been developed for the Rietveld analysis of time-of-flight neutron diffraction data taken on a high-resolution powder diffractometer, HRP, at the pulsed spallation neutron source, KENS. A new profile shape function is implemented which is optimized for a solid-methane moderator at 20 K. The program has several convenient features such as single-pass operation, multiphase capability, automatic successive refinements and constrained minimization. The results of Rietveld refinements of Si and α-Al2O3 show that the profile shape function fits neutron diffraction patterns taken on the HRP very well, and that very precise crystal-structure parameters can be obtained with this program.