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The formation and structure of Fe-Mn-Ni-Si solute clusters and G-phase precipitates in steels

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Title: The formation and structure of Fe-Mn-Ni-Si solute clusters and G-phase precipitates in steels
Authors: King, DJM
Burr, PA
Middleburgh, SC
Whiting, TM
Burke, MG
Wenman, MR
Item Type: Journal Article
Abstract: Solute clustering and G-phase precipitation cause hardening phenomena observed in some low alloy and stainless steels, respectively. Density functional theory was used to investigate the energetic driving force for the formation of these precipitates, capturing temperature effects through analysis of the system's configurational and magnetic entropies. It is shown that enrichment of Mn, Ni and Si is thermodynamically favourable compared to the dilute ferrite matrix of a typical A508 low alloy steel. We predict the ordered G-phase to form preferentially rather than a structure with B2-type ordering when the Fe content of the system falls below 10–18 at. %. The B2 → G-phase transformation is predicted to occur spontaneously when vacancies are introduced into the B2 structure in the absence of Fe.
Issue Date: 1-Jul-2018
Date of Acceptance: 28-Mar-2018
URI: http://hdl.handle.net/10044/1/61543
DOI: https://dx.doi.org/10.1016/j.jnucmat.2018.03.050
ISSN: 0022-3115
Publisher: Elsevier
Start Page: 1
End Page: 6
Journal / Book Title: Journal of Nuclear Materials
Volume: 505
Copyright Statement: Crown Copyright © 2018 Published by Elsevier B.V. All rights reserved. This manuscript is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International Licence http://creativecommons.org/licenses/by-nc-nd/4.0/
Sponsor/Funder: Engineering and Physical Sciences Research Council
Funder's Grant Number: EP/P005101/1
Keywords: Science & Technology
Technology
Materials Science, Multidisciplinary
Nuclear Science & Technology
Materials Science
Density functional theory
RPV steels
Duplex steels
Ferritic
Solute clustering
REACTOR PRESSURE-VESSELS
HIGH-ENTROPY ALLOYS
STAINLESS-STEEL
ELECTRONIC-STRUCTURE
CRYSTAL-STRUCTURE
RPV STEELS
IRRADIATION
EVOLUTION
MICROSTRUCTURE
THERMODYNAMICS
0912 Materials Engineering
Energy
Publication Status: Published
Online Publication Date: 2018-03-30
Appears in Collections:Materials
Faculty of Engineering