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Short-range order in multicomponent materials

Version 2 2024-06-03, 21:03
Version 1 2015-08-24, 14:32
journal contribution
posted on 2024-06-03, 21:03 authored by AV Ceguerra, MP Moody, RC Powles, TC Petersen, Ross MarceauRoss Marceau, SP Ringer
The generalized multicomponent short-range order (GM-SRO) parameter has been adapted for the characterization of short-range order within the highly chemically and spatially resolved three-dimensional atomistic images provided by the microscopy technique of atom-probe tomography (APT). It is demonstrated that, despite the experimental limitations of APT, in many cases the GM-SRO results derived from APT data can provide a highly representative description of the atomic scale chemical arrangement in the original specimen. Further, based upon a target set of the GM-SRO parameters, measured from APT experiments, a Monte Carlo algorithm was utilized to simulate statistically equivalent atomistic systems which, unlike APT data, are complete and lattice based. The simulations replicate solute structures that are statistically consistent with other correlation measures such as solute cluster distributions, enable more quantitative characterization of nanostructural phenomena in the original specimen and, significantly, can be incorporated directly into other models and simulations.

History

Journal

Acta crystallographica section A: foundations of crystallography

Volume

A68

Pagination

547-560

Location

Chichester, Eng.

ISSN

0108-7673

eISSN

1600-5724

Language

eng

Publication classification

C1.1 Refereed article in a scholarly journal

Copyright notice

2012, International Union of Crystallography Printed in Singapore-all rights reserved.

Issue

5

Publisher

Wiley-Blackwell