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Monte Carlo modeling of diffuse scattering from single crystals: the program ZMC

Goossens, Darren; Heerdegen, Aidan; Chan, Eric; Welberry, Thomas

Description

Diffuse scattering probes the local ordering in a crystal, whereas Bragg peaks are descriptive of the average long-range ordering. The population of local configurations can be explored by modeling the three-dimensional distribution of diffuse scattering. Local configurations are not constrained by the average crystallographic symmetry, so one way of modeling diffuse scattering is by modeling a disordered (short-range-ordered) structure and then calculating its diffuse scattering. The structure...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
URI: http://hdl.handle.net/1885/61057
Source: Metallurgical and Materials Transactions A
DOI: 10.1007/s11661-010-0199-1

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