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Phys Rev Lett. 2007 Mar 30;98(13):135701. Epub 2007 Mar 26.

Shock waves in polycrystalline iron.

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1
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. kkadau@lanl.gov

Abstract

The propagation of shock waves through polycrystalline iron is explored by large-scale atomistic simulations. For large enough shock strengths the passage of the wave causes the body-centered-cubic phase to transform into a close-packed phase with most structure being isotropic hexagonal-close-packed (hcp) and, depending on shock strength and grain orientation, some fraction of face-centered-cubic (fcc) structure. The simulated shock Hugoniot is compared to experiments. By calculating the extended x-ray absorption fine structure (EXAFS) directly from the atomic configurations, a comparison to experimental EXAFS measurements of nanosecond-laser shocks shows that the experimental data is consistent with such a phase transformation. However, the atomistically simulated EXAFS spectra also show that an experimental distinction between the hcp or fcc phase is not possible based on the spectra alone.

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