2008
DOI: 10.1103/physrevb.78.014109
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Molecular dynamics simulations of the Debye-Waller effect in shocked copper

Abstract: We present an analysis of the directionally dependent x-ray structure factors ͑and, hence, intensities͒ 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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Cited by 16 publications
(8 citation statements)
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“…We observe phase evolution from B1, B2 and liquid with increasing pressure. Future work is needed to accurately determine the thermodynamic compression path for different composite mixtures, through, for example, Debye-Waller analysis of XRD data (16,46).…”
Section: Discussionmentioning
confidence: 99%
“…We observe phase evolution from B1, B2 and liquid with increasing pressure. Future work is needed to accurately determine the thermodynamic compression path for different composite mixtures, through, for example, Debye-Waller analysis of XRD data (16,46).…”
Section: Discussionmentioning
confidence: 99%
“…Very few studies of how the Debye-Waller effect might exhibit itself in dynamic compression experiments have been undertaken using femtosecond x-ray diffraction, although some initial computational analysis has been embarked upon 185,186 . Some work has been performed in using the same phenomenon in absorption spectroscopy experiments, given that the same physical effect occurs in Extended X-Ray Absorption Fine Structure (EXAFS).…”
Section: Temperature Measurementsmentioning
confidence: 99%
“…Instead of scattering into the coherent diffraction lines, there is an increased probability of elastic scattering into the diffuse background. Recently, the possibility of observing and measuring the Debye-Waller effect in shocked copper using laser-plasma x-ray sources has been discussed (Murphy, 2008), emphasizing the importance of the volumetric dependence of the Debye temperature and the required corrections to the data. Therefore, if the intensity of the diffraction lines can be measured precisely, together with the volumetric changes in the lattice, the sample temperature may be measured through the Debye-Waller effect.…”
Section: Fy 2010 Materials Studies and Techniquesmentioning
confidence: 99%