Acta Crystallographica Section A

Foundations of Crystallography

Volume 53, Part 5 (September 1997)

research papers

Acta Cryst. (1997). A53, 537-545 [ doi:10.1107/S0108767397006004 ]

Correction for Thermal Diffuse Scattering in Time-of-Flight NeutronDiffraction

N. C. Popa and B. T. M. Willis

Abstract: A fast numerical algorithm is presented for calculating the TDS correction to Bragg peaks recorded in time-of-flight neutron diffraction studies on single crystals. The algorithm allows two average sound velocities, together with the structural parameters, to be treated as free parameters in a refinement program. The correction does not require, therefore, a prior knowledge of the elastic constants of the sample. The model is tested on a simulated set of reflection data.