An Analysis of the X-Ray Diffraction Signal for the (alpha) - (epsilon) Transition in Shock-Compressed Iron [electronic resource] : Simulation and Experiment

Published:: Washington, D.C. : United States. Dept. of Energy, 2006.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description:: PDF-file: 48 pages; size: 3.5 Mbytes
Additional Creators:: Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information

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Summary:

Recent published work has shown that the phase change of shock compressed iron along the [001] direction does transform to the ε (HCP) phase similar to the case for static measurements. This article provides an indepth analysis of the experiment and NEMD 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 BCC to HCP. Also both show a polycrystalline structure upon the phase transition, due to the four degenerate directions the phase change can occur on, with grain sizes measured of 4nm in the NEMD simulations and ≈ 2nm in the experiment. And looking at the time scale of the transition the NEMD shows the transition from the compressed BCC to HCP is less then 1.2 ps where the experimental data places an upper limit on the transition of 80 ps.

Report Numbers:

E 1.99:ucrl-jrnl-220707
ucrl-jrnl-220707

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Published through SciTech Connect.
04/10/2006.
"ucrl-jrnl-220707"
Physical Review B, vol. 74, no. 17, November 1, 2006, pp. 184107 FT
Sheppard, J; Colvin, J D; Kalantar, D H; Hawreliak, J; Wark, J S; Stolken, J S; Lomdahl, P S; Davies, H M; Holian, B L; Lorenzana, H E; Germann, T C; Kadau, K; Rosolankova, K; Higginbotham, A.

Funding Information:

W-7405-ENG-48

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