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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 [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 interpreting diffraction in dynamic compression experiments.

Authors:
 [1];  [2];  [3]; ; ;  [4];  [5]
  1. Applied Physics Program, University of Michigan, Ann Arbor, Michigan 48109 (United States)
  2. (United States)
  3. Helmholtz Zentrum Dresden-Rossendorf, 01328 Dresden (Germany)
  4. SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)
  5. Climate and Space Sciences and Engineering, Applied Physics, and Physics, University of Michigan, Ann Arbor, Michigan 48109 (United States)
Publication Date:
OSTI Identifier:
22596775
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 119; Journal Issue: 21; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANISOTROPY; COMPARATIVE EVALUATIONS; COMPRESSION; DEBYE-SCHERRER METHOD; DIAMONDS; DIFFRACTION; FORECASTING; GEOMETRY; POLYCRYSTALS; STRAINS; STRESSES; TEXTURE

Citation Formats

MacDonald, M. J., E-mail: macdonm@umich.edu, SLAC National Accelerator Laboratory, Menlo Park, California 94025, Vorberger, J., Gamboa, E. J., Glenzer, S. H., Fletcher, L. B., and Drake, R. P. Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials. United States: N. p., 2016. Web. doi:10.1063/1.4953028.
MacDonald, M. J., E-mail: macdonm@umich.edu, SLAC National Accelerator Laboratory, Menlo Park, California 94025, Vorberger, J., Gamboa, E. J., Glenzer, S. H., Fletcher, L. B., & Drake, R. P. Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials. United States. doi:10.1063/1.4953028.
MacDonald, M. J., E-mail: macdonm@umich.edu, SLAC National Accelerator Laboratory, Menlo Park, California 94025, Vorberger, J., Gamboa, E. J., Glenzer, S. H., Fletcher, L. B., and Drake, R. P. Tue . "Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials". United States. doi:10.1063/1.4953028.
@article{osti_22596775,
title = {Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials},
author = {MacDonald, M. J., E-mail: macdonm@umich.edu and SLAC National Accelerator Laboratory, Menlo Park, California 94025 and Vorberger, J. and Gamboa, E. J. and Glenzer, S. H. and Fletcher, L. B. and Drake, R. P.},
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 [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 interpreting diffraction in dynamic compression experiments.},
doi = {10.1063/1.4953028},
journal = {Journal of Applied Physics},
number = 21,
volume = 119,
place = {United States},
year = {Tue Jun 07 00:00:00 EDT 2016},
month = {Tue Jun 07 00:00:00 EDT 2016}
}