Magnetostructural Transition Kinetics in Shocked Iron

Surh, Michael P.; Benedict, Lorin X.; Sadigh, Babak

doi:10.1103/PhysRevLett.117.085701

Title: Magnetostructural Transition Kinetics in Shocked Iron

Abstract

Here, a generalized Heisenberg model is implemented to study the effect of thermal magnetic disorder on kinetics of the Fe α–ε transition. The barrier to bulk martensitic displacement remains large in α-Fe shocked well past the phase line but is much reduced in the [001] α–ε boundary. The first result is consistent with observed overdriving to metastable α, while the second suggests structural instability, as implied by observation of a [001] shock transformation front without plastic relaxation. Reconciling both behaviors may require concurrent treatment of magnetic and structural order.

Authors:

Surh, Michael P. ^[1]; Benedict, Lorin X. ^[1]; Sadigh, Babak ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Publication Date:: Mon Aug 15 00:00:00 EDT 2016

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1367964

Alternate Identifier(s):: OSTI ID: 1294716

Report Number(s):: LLNL-JRNL-689345
Journal ID: ISSN 0031-9007; PRLTAO

Grant/Contract Number:: AC52-07NA27344; 13-ERD-044

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 117; Journal Issue: 8; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Surh, Michael P., Benedict, Lorin X., and Sadigh, Babak. Magnetostructural Transition Kinetics in Shocked Iron.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevLett.117.085701.

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                    Surh, Michael P., Benedict, Lorin X., & Sadigh, Babak. Magnetostructural Transition Kinetics in Shocked Iron.  United States.  https://doi.org/10.1103/PhysRevLett.117.085701

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                    Surh, Michael P., Benedict, Lorin X., and Sadigh, Babak. Mon .  
"Magnetostructural Transition Kinetics in Shocked Iron".  United States.  https://doi.org/10.1103/PhysRevLett.117.085701.  https://www.osti.gov/servlets/purl/1367964.

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@article{osti_1367964,

  title        = {Magnetostructural Transition Kinetics in Shocked Iron},

  author       = {Surh, Michael P. and Benedict, Lorin X. and Sadigh, Babak},

  abstractNote = {Here, a generalized Heisenberg model is implemented to study the effect of thermal magnetic disorder on kinetics of the Fe α–ε transition. The barrier to bulk martensitic displacement remains large in α-Fe shocked well past the phase line but is much reduced in the [001] α–ε boundary. The first result is consistent with observed overdriving to metastable α, while the second suggests structural instability, as implied by observation of a [001] shock transformation front without plastic relaxation. Reconciling both behaviors may require concurrent treatment of magnetic and structural order.},

  doi          = {10.1103/PhysRevLett.117.085701},

  journal      = {Physical Review Letters},

  number       = 8,

  volume       = 117,

  place        = {United States},

  year         = {Mon Aug 15 00:00:00 EDT 2016},

  month        = {Mon Aug 15 00:00:00 EDT 2016}

}

Copy to clipboard

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Title: Magnetostructural Transition Kinetics in Shocked Iron

Abstract

Citation Formats

Magnetism in dense hexagonal iron journal, December 2003

Generalized Gradient Approximation Made Simple journal, October 1996

Polymorphism of Iron at High Pressure journal, March 1956

Atomistic simulations of shock-induced transformations and their orientation dependence in bcc Fe single crystals journal, August 2005

The α→ϵ phase transition in iron at strain rates up to ∼10 9 s −1 journal, March 2014

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] journal, February 1997

Metastability and dynamics of the shock-induced phase transition in iron journal, February 1997

Iron Under Pressure: “Kohn Tweezers” and Remnant Magnetism journal, June 2011

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A calculation of elastic constants of ferromagnetic iron at finite temperatures journal, January 1985

Non-collinear magnetism in iron at high pressures journal, June 2004

Dynamics of the Magnetic and Structural α − ε Phase Transition in Iron journal, December 2004

In situ x-ray diffraction measurements of the c / a ratio in the high-pressure ε phase of shock-compressed polycrystalline iron journal, April 2011

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Microscopic View of Structural Phase Transitions Induced by Shock Waves journal, May 2002

Spin Interactions in bcc and fcc Fe beyond the Heisenberg Model journal, June 2011

Electronic structure and magnetism in compressed 3d transition metals journal, January 2007

Absence of Magnetism in Hcp Iron-Nickel at 11 K journal, August 2006

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Shock Waves in Polycrystalline Iron journal, March 2007

Magnetism in iron as a function of pressure journal, March 2004

Neutron scattering measurements of phonons in iron above and below T c journal, September 1985

Noncollinear magnetism in the high-pressure hcp phase of iron journal, August 2008

Spin-flop structure at an antiferromagnetic/ferromagnetic interface: Mn/Fe(100) journal, September 2007

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Pressure-induced bcc to hcp transition in Fe: Magnetism-driven structure transformation journal, November 2013

X‐Ray Diffraction Studies in the 100 Kilobar Pressure Range journal, March 1962

Ab initio study of the martensitic bcc-hcp transformation in iron journal, September 1998

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Equation of State Calculations by Fast Computing Machines journal, June 1953

High-pressure nanocrystalline structure of a shock-compressed single crystal of iron journal, December 2008

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Analysis of the x-ray diffraction signal for the α − ϵ transition in shock-compressed iron: Simulation and experiment journal, November 2006

Magnetism in dense hexagonal iron
journal, December 2003

Generalized Gradient Approximation Made Simple
journal, October 1996

Polymorphism of Iron at High Pressure
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Atomistic simulations of shock-induced transformations and their orientation dependence in bcc Fe single crystals
journal, August 2005

The α→ϵ phase transition in iron at strain rates up to ∼10 ⁹ s ⁻¹
journal, March 2014

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
journal, February 1997

Metastability and dynamics of the shock-induced phase transition in iron
journal, February 1997

Iron Under Pressure: “Kohn Tweezers” and Remnant Magnetism
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A calculation of elastic constants of ferromagnetic iron at finite temperatures
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Non-collinear magnetism in iron at high pressures
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Dynamics of the Magnetic and Structural $α − ε$ Phase Transition in Iron
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In situ x-ray diffraction measurements of the $c / a$ ratio in the high-pressure $ε$ phase of shock-compressed polycrystalline iron
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Microscopic View of Structural Phase Transitions Induced by Shock Waves
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