Molecular dynamics simulations of the Debye-Waller effect in shocked copper

W. J. Murphy, A. Higginbotham, J. S. Wark, N. Park, Phys Rev B, 78, 014109 (2008).

We present an analysis of the directionally dependent x-ray structure factors (and, hence, intensities) predicted by nonequilibrium molecular dynamicssimulations of statically compressed and shocked single crystals of copper, and comment on the feasibility of using experimentally measured intensities to infer temperature information. We further consider the behavior of the diffracted intensity from isentropically compressed samples.

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