Analysis of the x-ray diffraction signal for the $\ensuremath{\alpha}\text{\ensuremath{-}}ϵ$ transition in shock-compressed iron: Simulation and experiment

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

J. Hawreliak, J. D. Colvin, J. H. Eggert, D. H. Kalantar, H. E. Lorenzana, J. S. Stölken, H. M. Davies, T. C. Germann, B. L. Holian, K. Kadau, P. S. Lomdahl, A. Higginbotham, K. Rosolankova, J. Sheppard, and J. S. Wark

Phys. Rev. B 74, 184107 – Published 7 November 2006

Abstract

Recent published work has shown that the phase change of shock-compressed iron along the [001] direction does transform to the $ϵ$ [hexagonal close-packed (hcp)] phase similar to the case for static measurements. This article provides an in-depth analysis of the experiment and nonequilibrium molecular dynamics simulations, using x-ray diffraction in both cases to study the crystal structure upon transition. Both simulation and experiment are consistent with a compression and shuffle mechanism responsible for the phase change from body-centered cubic to hcp. Also both show a polycrystalline structure upon the phase transition, due to the four degenerate directions in which the phase change can occur.

Received 30 May 2006

DOI:https://doi.org/10.1103/PhysRevB.74.184107

Authors & Affiliations

J. Hawreliak^*, J. D. Colvin, J. H. Eggert, D. H. Kalantar, H. E. Lorenzana, and J. S. Stölken

Lawrence Livermore National Laboratory, Livermore, California 94550, USA

H. M. Davies

AWE Aldermaston, Reading, United Kingdom

T. C. Germann, B. L. Holian, K. Kadau, and P. S. Lomdahl

Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

A. Higginbotham, K. Rosolankova, J. Sheppard, and J. S. Wark

Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, United Kingdom

^*Electronic address: hawreliak1@llnl.gov

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Vol. 74, Iss. 18 — 1 November 2006

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Physical Review B

covering condensed matter and materials physics

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

J. Hawreliak, J. D. Colvin, J. H. Eggert, D. H. Kalantar, H. E. Lorenzana, J. S. Stölken, H. M. Davies, T. C. Germann, B. L. Holian, K. Kadau, P. S. Lomdahl, A. Higginbotham, K. Rosolankova, J. Sheppard, and J. S. Wark

Phys. Rev. B 74, 184107 – Published 7 November 2006

Abstract

Authors & Affiliations

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Physical Review B

covering condensed matter and materials physics

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

J. Hawreliak, J. D. Colvin, J. H. Eggert, D. H. Kalantar, H. E. Lorenzana, J. S. Stölken, H. M. Davies, T. C. Germann, B. L. Holian, K. Kadau, P. S. Lomdahl, A. Higginbotham, K. Rosolankova, J. Sheppard, and J. S. Wark

Phys. Rev. B 74, 184107 – Published 7 November 2006

Abstract

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