Large-scale molecular dynamics (MD) simulations were carried out to investigate the shock-induced evolution of microstructure in Fe-based systems comprising single-crystal and layered Cu/Fe alloys with a distribution of interfaces. The shock compression of pure single-crystal Fe oriented along [110] above a threshold pressure results in a BCC (α) → HCP (ɛ) phase transformation behavior that generates a distribution of phase variants in the phase transformed region of the microstructure behind the shock front. The propagation of the release wave through a phase transformed phase causes a reverse ɛ → α phase transformation and renders a distribution of twins for the [110] oriented Fe that serve as void nucleation sites during spall failure. The simulations reveal that the α → ɛ → α transformation-induced twinning for shock loading along the [110] direction is due to a dominant ɛ phase variant formed during compression that rotates on the arrival of the release wave followed by a reverse phase transformation to twins in the α phase. The modifications in the evolution of the ɛ phase variants and twins in Fe behavior are also studied for Cu–Fe layered microstructures due to the shock wave interactions with the Cu/Fe interfaces using a newly constructed Cu–Fe alloy potential. The MD simulations suggest that interfaces affect the observed variants during shock compression and, hence, distributions of twins during shock release that affects the void nucleation stresses in the Fe phase of Cu/Fe microstructures.
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7 December 2021
Research Article|
December 02 2021
Understanding the phase transformation mechanisms that affect the dynamic response of Fe-based microstructures at the atomic scales
Avanish Mishra
;
Avanish Mishra
1
Department of Materials Science and Engineering, Institute of Materials Science, University of Connecticut
, Storrs, Connecticut 06269, USA
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Jonathan Lind
;
Jonathan Lind
2
Lawrence Livermore National Laboratory
, 7000 East Ave., Livermore, California 94550, USA
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Mukul Kumar
;
Mukul Kumar
2
Lawrence Livermore National Laboratory
, 7000 East Ave., Livermore, California 94550, USA
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Avinash M. Dongare
Avinash M. Dongare
a)
1
Department of Materials Science and Engineering, Institute of Materials Science, University of Connecticut
, Storrs, Connecticut 06269, USA
a)Author to whom correspondence should be addressed: dongare@uconn.edu
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a)Author to whom correspondence should be addressed: dongare@uconn.edu
J. Appl. Phys. 130, 215902 (2021)
Article history
Received:
September 02 2021
Accepted:
November 05 2021
Citation
Avanish Mishra, Jonathan Lind, Mukul Kumar, Avinash M. Dongare; Understanding the phase transformation mechanisms that affect the dynamic response of Fe-based microstructures at the atomic scales. J. Appl. Phys. 7 December 2021; 130 (21): 215902. https://doi.org/10.1063/5.0069935
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