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SLAC Publication: SLAC-PUB-16531
SLAC Release Date: May 20, 2016
Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials
MacDonald, Michael.
Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit [A. Higg... Show Full Abstract
Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit [A. Higginbotham, J. Appl. Phys. 115, 174906 (2014)]. Here we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso- stress) limit. This analysis uses elastic constants to calculate lattice strains for all initial crystallite orientations, enabling elastic anisotropy and sample texture effects to be modeled directly. The effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when int erpreting diffraction in dynamic compression experiments. Show Partial Abstract
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  • Interest Categories: Material Sciences, X-Ray Free Electron Laser