Molecular dynamics simulations of the Debye-Waller effect in shocked copper
WJ Murphy and A Higginbotham and JS Wark and N Park, PHYSICAL REVIEW B, 78, 014109 (2008).
We present an analysis of the directionally dependent x-ray structure factors (and, hence, intensities) predicted by nonequilibrium molecular dynamics simulations 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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