Designing order–disorder transformation in high-entropy ferritic steels. Singh, Prashant Johnson, Duane
dc.contributor.department Materials Science and Engineering
dc.contributor.department Chemical and Biological Engineering
dc.contributor.department Ames Laboratory
dc.contributor.department Physics and Astronomy 2022-03-25T20:37:27Z 2022-03-25T20:37:27Z 2022
dc.description.abstract Order–disorder transformations hold an essential place in chemically complex high-entropy ferritic steels (HEFSs) due to their critical technological application. The chemical inhomogeneity arising from mixing of multi-principal elements of varying chemistry can drive property altering changes at the atomic scale, in particular short-range order. Using density-functional theory-based linear-response theory, we predict the effect of compositional tuning on the order–disorder transformation in ferritic steels—focusing on Cr–Ni–Al–Ti–Fe HEFSs. We show that Ti content in Cr–Ni–Al–Ti–Fe solid solutions can be tuned to modify short-range order that changes the order–disorder path from BCC-B2 (Ti atomic-fraction = 0) to BCC-B2-L21 (Ti atomic-fraction > 0) consistent with existing experiments. Our study suggests that tuning degree of SRO through compositional variation can be used as an effective means to optimize phase selection in technologically useful alloys.
dc.description.comments This article is published as Singh, Prashant, and Duane D. Johnson. "Designing order–disorder transformation in high-entropy ferritic steels." Journal of Materials Research 27 (2022): 136-144. DOI: 10.1557/s43578-021-00336-w. Copyright 2021 The Author(s). Attribution 4.0 International (CC BY 4.0). Posted with permission.
dc.language.iso en
dc.publisher Springer Nature
dc.source.uri *
dc.subject.keywords High-entropy alloys
dc.subject.keywords Density-functional theory
dc.subject.keywords Phase stability
dc.subject.keywords Short-range order
dc.title Designing order–disorder transformation in high-entropy ferritic steels.
dc.type Article
dspace.entity.type Publication
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