Importance of shear in the bcc-to-hcp transformation in iron

Kyle J. Caspersen; Adrian Lew; Michael Ortiz; Emily A. Carter

doi:10.1103/PhysRevLett.93.115501

Importance of shear in the bcc-to-hcp transformation in iron

Kyle J. Caspersen, Adrian Lew, Michael Ortiz, Emily A. Carter

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142 Scopus citations

Abstract

A multiscale model containing a multiwell energy function, based on quantum-mechanics, accounting for the body centered cubic (bcc) and hexagonally clos-packed (hcp) phases of Fe, and a construction of kinematically compatible and equilibrated mixed phases were presented. Using the model, the influence of shear stresses on the bcc↔hcp transformation was demonstrated. The presence of a modest shear, which accounts for the scatter in measured transformation pressure (TP) were also demonstrated. The formation of mixed phases, which provides an explanation for the observed hysterisis in TP was also investigated.

Original language	English (US)
Article number	115501
Pages (from-to)	115501-1-115501-4
Journal	Physical review letters
Volume	93
Issue number	11
DOIs	https://doi.org/10.1103/PhysRevLett.93.115501
State	Published - Sep 10 2004
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1103/PhysRevLett.93.115501

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title = "Importance of shear in the bcc-to-hcp transformation in iron",

abstract = "A multiscale model containing a multiwell energy function, based on quantum-mechanics, accounting for the body centered cubic (bcc) and hexagonally clos-packed (hcp) phases of Fe, and a construction of kinematically compatible and equilibrated mixed phases were presented. Using the model, the influence of shear stresses on the bcc↔hcp transformation was demonstrated. The presence of a modest shear, which accounts for the scatter in measured transformation pressure (TP) were also demonstrated. The formation of mixed phases, which provides an explanation for the observed hysterisis in TP was also investigated.",

author = "Caspersen, {Kyle J.} and Adrian Lew and Michael Ortiz and Carter, {Emily A.}",

note = "Funding Information: Support from the DOE through Caltech{\textquoteright}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.",

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doi = "10.1103/PhysRevLett.93.115501",

language = "English (US)",

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T1 - Importance of shear in the bcc-to-hcp transformation in iron

AU - Caspersen, Kyle J.

AU - Lew, Adrian

AU - Ortiz, Michael

AU - Carter, Emily A.

N1 - Funding Information: 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.

PY - 2004/9/10

Y1 - 2004/9/10

N2 - A multiscale model containing a multiwell energy function, based on quantum-mechanics, accounting for the body centered cubic (bcc) and hexagonally clos-packed (hcp) phases of Fe, and a construction of kinematically compatible and equilibrated mixed phases were presented. Using the model, the influence of shear stresses on the bcc↔hcp transformation was demonstrated. The presence of a modest shear, which accounts for the scatter in measured transformation pressure (TP) were also demonstrated. The formation of mixed phases, which provides an explanation for the observed hysterisis in TP was also investigated.

AB - A multiscale model containing a multiwell energy function, based on quantum-mechanics, accounting for the body centered cubic (bcc) and hexagonally clos-packed (hcp) phases of Fe, and a construction of kinematically compatible and equilibrated mixed phases were presented. Using the model, the influence of shear stresses on the bcc↔hcp transformation was demonstrated. The presence of a modest shear, which accounts for the scatter in measured transformation pressure (TP) were also demonstrated. The formation of mixed phases, which provides an explanation for the observed hysterisis in TP was also investigated.

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Importance of shear in the bcc-to-hcp transformation in iron

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