Atomistic simulations of shock-induced phase transformations in polycrystalline iron

We report on large-scale non-equilibrium atomistic simulations of shock-induced transformations in poly crystalline iron samples. These simulations show that, depending on the crystallographic orientation of the body-centered-cubic (bcc) parent phase grains with respect to the shock direction, a sig...

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Main Authors: Kadau, K, Germann, T, Lomdahl, P, Albers, R, Wark, J, Higginbotham, A, Holian, B
Format: Conference item
Published: 2007
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author Kadau, K
Germann, T
Lomdahl, P
Albers, R
Wark, J
Higginbotham, A
Holian, B
author_facet Kadau, K
Germann, T
Lomdahl, P
Albers, R
Wark, J
Higginbotham, A
Holian, B
author_sort Kadau, K
collection OXFORD
description We report on large-scale non-equilibrium atomistic simulations of shock-induced transformations in poly crystalline iron samples. These simulations show that, depending on the crystallographic orientation of the body-centered-cubic (bcc) parent phase grains with respect to the shock direction, a significant fraction of the product phase can be face-centered-cubic (fcc) instead of the expected hexagonal-close-packed (hcp) structure. This observation is explained by the existence of different transformation mechanisms for shocks along different crystallographic directions. We conclude that the observation of different product phases can be explained by simple geometric considerations of the involved transformation mechanisms between the parent bcc structure and the product hcp and fcc structures. Ultrafast high-energy laser-based experiments are underway to further investigate this subject. © 2007 American Institute of Physics.
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spelling oxford-uuid:bc612fc5-0f32-4612-87f0-c76eb4a523f42022-03-27T05:23:59ZAtomistic simulations of shock-induced phase transformations in polycrystalline ironConference itemhttp://purl.org/coar/resource_type/c_5794uuid:bc612fc5-0f32-4612-87f0-c76eb4a523f4Symplectic Elements at Oxford2007Kadau, KGermann, TLomdahl, PAlbers, RWark, JHigginbotham, AHolian, BWe report on large-scale non-equilibrium atomistic simulations of shock-induced transformations in poly crystalline iron samples. These simulations show that, depending on the crystallographic orientation of the body-centered-cubic (bcc) parent phase grains with respect to the shock direction, a significant fraction of the product phase can be face-centered-cubic (fcc) instead of the expected hexagonal-close-packed (hcp) structure. This observation is explained by the existence of different transformation mechanisms for shocks along different crystallographic directions. We conclude that the observation of different product phases can be explained by simple geometric considerations of the involved transformation mechanisms between the parent bcc structure and the product hcp and fcc structures. Ultrafast high-energy laser-based experiments are underway to further investigate this subject. © 2007 American Institute of Physics.
spellingShingle Kadau, K
Germann, T
Lomdahl, P
Albers, R
Wark, J
Higginbotham, A
Holian, B
Atomistic simulations of shock-induced phase transformations in polycrystalline iron
title Atomistic simulations of shock-induced phase transformations in polycrystalline iron
title_full Atomistic simulations of shock-induced phase transformations in polycrystalline iron
title_fullStr Atomistic simulations of shock-induced phase transformations in polycrystalline iron
title_full_unstemmed Atomistic simulations of shock-induced phase transformations in polycrystalline iron
title_short Atomistic simulations of shock-induced phase transformations in polycrystalline iron
title_sort atomistic simulations of shock induced phase transformations in polycrystalline iron
work_keys_str_mv AT kadauk atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron
AT germannt atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron
AT lomdahlp atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron
AT albersr atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron
AT warkj atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron
AT higginbothama atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron
AT holianb atomisticsimulationsofshockinducedphasetransformationsinpolycrystallineiron