Shock Induced (Alpha)-(Epsilon) Phase Change in Iron [electronic resource] : Analysis of MD Simulations and Experiment

Published:: Washington, D.C. : United States. Dept. of Energy, 2005.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description:: PDF-file: 6 pages; size: 0.5 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:

Multimillion atom non-equilibrium molecular dynamics simulations for shock compressed iron are analyzed using Fourier methods to determine the long scale ordering of the crystal. By analyzing the location of the maxima in k-space we can determine the crystal structure and compression due to the shock. This report presents results from a 19.6 GPa simulated shock in single crystal iron and compare them to recent experimental results of shock compressed iron where the crystal structure was determined using in-situ wide angle x-ray diffraction.

Report Numbers:

E 1.99:ucrl-proc-215261
ucrl-proc-215261

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Published through SciTech Connect.
08/25/2005.
"ucrl-proc-215261"
Presented at: 14th APS Conference on Shock Compression of Condensed Matter, Baltimore, MD, United States, Jul 30 - Aug 07, 2005.
Collins, G; Eggert, J H; Sheppard, J; Colvin, J; Kalantar, D H; Hawreliak, J; Wark, J S; Belak, J F; Stolken, J S; Lomdahl, P; Davies, H M; Holian, B; Lorenzana, H E; Germann, T C; Kadau, K; Rosolankova, K.

Funding Information:

W-7405-ENG-48

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