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Importance of Shear in the bcc-to-hcp Transformation in Iron

Caspersen, Kyle J. and Lew, Adrian and Ortiz, Michael and Carter, Emily A. (2004) Importance of Shear in the bcc-to-hcp Transformation in Iron. Physical Review Letters, 93 (11). Art. No. 115501. ISSN 0031-9007. https://resolver.caltech.edu/CaltechAUTHORS:20171128-113250402

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Abstract

Iron shows a pressure-induced martensitic phase transformation from the ground state ferromagnetic bcc phase to a nonmagnetic hcp phase at ≈13 GPa. The exact transformation pressure (TP) and pathway are not known. Here we present a multiscale model containing a quantum-mechanics-based multiwell energy function accounting for the bcc and hcp phases of Fe and a construction of kinematically compatible and equilibrated mixed phases. This model suggests that shear stresses have a significant influence on the bcc↔hcp transformation. In particular, the presence of modest shear accounts for the scatter in measured TPs. The formation of mixed phases also provides an explanation for the observed hysteresis in TP.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1103/PhysRevLett.93.115501DOIArticle
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.93.115501PublisherArticle
ORCID:
AuthorORCID
Ortiz, Michael0000-0001-5877-4824
Carter, Emily A.0000-0001-7330-7554
Additional Information:© 2004 American Physical Society. (Received 16 March 2004; published 10 September 2004) Support from the DOE through Caltech’s ASCI/ASAP Center for the Simulation of the Dynamic Response of Materials and from the Office of Naval Research is gratefully acknowledged. Dr. Matt Fago is the primary author of the lamination code employed in this work.
Group:GALCIT
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)UNSPECIFIED
Office of Naval Research (ONR)UNSPECIFIED
Issue or Number:11
Classification Code:PACS numbers: 61.50.Ks, 61.72.–y, 62.50.+p, 64.70.Kb
Record Number:CaltechAUTHORS:20171128-113250402
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20171128-113250402
Official Citation:Importance of Shear in the bcc-to-hcp Transformation in Iron Kyle J. Caspersen, Adrian Lew, Michael Ortiz, and Emily A. Carter Phys. Rev. Lett. 93, 115501
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:83517
Collection:CaltechAUTHORS
Deposited By: Lydia Suarez
Deposited On:29 Nov 2017 00:36
Last Modified:09 Mar 2020 13:18

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