Open AccessThe interpretation and analysis of diffuse scattering using Monte Carlo simulation methods
Author(s) -
Welberry T. R.,
Goossens D. J.
Publication year - 2008
Publication title -
acta crystallographica section a
Language(s) - English
Resource type - Journals
eISSN - 1600-5724
pISSN - 0108-7673
DOI - 10.1107/s0108767307041918
Subject(s) - monte carlo method , scattering , interpretation (philosophy) , statistical physics , neutron scattering , computational physics , reverse monte carlo , physics , computer science , optics , neutron diffraction , statistics , mathematics , diffraction , programming language
Studies of diffuse scattering had a prominent place in the first issue of Acta Crystallographica 60 years ago at a time when conventional crystallography (determination of the average structure from Bragg peaks) was in its infancy. Since that time, conventional crystallography has developed enormously while diffuse‐scattering analysis has seemingly lagged well behind. The paper highlights some of the extra difficulties involved in the measurement, interpretation and analysis of diffuse scattering and plots the progress that has been made. With the advent of the latest X‐ray and neutron sources, area detectors and the ever‐increasing power of computers, most disorder problems are now tractable. Two recent contrasting examples are described which highlight what can be achieved by current methods.