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Title: Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

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. 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. Furthermore, 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 interpreting diffraction in dynamic compression experiments.

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [4];  [3];  [3]
  1. Univ. of Michigan, Ann Arbor, MI (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. Helmholtz Zentrum Dresden-Rossendorf, Dresden (Germany)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  4. Univ. of Michigan, Ann Arbor, MI (United States)
Publication Date:
Research Org.:
Univ. of Michigan, Ann Arbor, MI (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Fusion Energy Sciences (FES)
OSTI Identifier:
1338285
Alternate Identifier(s):
OSTI ID: 1256145
Grant/Contract Number:  
NA0002956; FWP 100182
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 119; Journal Issue: 21; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

MacDonald, M. J., Vorberger, J., Gamboa, E. J., Drake, R. P., Glenzer, S. H., and Fletcher, L. B. Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials. United States: N. p., 2016. Web. https://doi.org/10.1063/1.4953028.
MacDonald, M. J., Vorberger, J., Gamboa, E. J., Drake, R. P., Glenzer, S. H., & Fletcher, L. B. Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials. United States. https://doi.org/10.1063/1.4953028
MacDonald, M. J., Vorberger, J., Gamboa, E. J., Drake, R. P., Glenzer, S. H., and Fletcher, L. B. Tue . "Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials". United States. https://doi.org/10.1063/1.4953028. https://www.osti.gov/servlets/purl/1338285.
@article{osti_1338285,
title = {Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials},
author = {MacDonald, M. J. and Vorberger, J. and Gamboa, E. J. and Drake, R. P. and Glenzer, S. H. and Fletcher, L. B.},
abstractNote = {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. 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. Furthermore, 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 interpreting diffraction in dynamic compression experiments.},
doi = {10.1063/1.4953028},
journal = {Journal of Applied Physics},
number = 21,
volume = 119,
place = {United States},
year = {2016},
month = {6}
}

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