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:
-
[1];
[4];
- Univ. of Michigan, Ann Arbor, MI (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Helmholtz Zentrum Dresden-Rossendorf, Dresden (Germany)
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- 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. doi: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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Works referenced in this record:
Interiors of Giant Planets Inside and Outside the Solar System
journal, October 1999
- Guillot, T.
- Science, Vol. 286, Issue 5437
Experimental evidence for a phase transition in magnesium oxide at exoplanet pressures
journal, September 2013
- Coppari, F.; Smith, R. F.; Eggert, J. H.
- Nature Geoscience, Vol. 6, Issue 11
Ultrafast visualization of crystallization and grain growth in shock-compressed SiO2
journal, September 2015
- Gleason, A. E.; Bolme, C. A.; Lee, H. J.
- Nature Communications, Vol. 6, Issue 1
Nanosecond formation of diamond and lonsdaleite by shock compression of graphite
journal, March 2016
- Kraus, D.; Ravasio, A.; Gauthier, M.
- Nature Communications, Vol. 7, Issue 1
The physics basis for ignition using indirect-drive targets on the National Ignition Facility
journal, February 2004
- Lindl, John D.; Amendt, Peter; Berger, Richard L.
- Physics of Plasmas, Vol. 11, Issue 2
High-density carbon ablator experiments on the National Ignition Facility
journal, May 2014
- MacKinnon, A. J.; Meezan, N. B.; Ross, J. S.
- Physics of Plasmas, Vol. 21, Issue 5
New experimental platform to study high density laser-compressed matter
journal, November 2014
- Gauthier, M.; Fletcher, L. B.; Ravasio, A.
- Review of Scientific Instruments, Vol. 85, Issue 11
Ultrabright X-ray laser scattering for dynamic warm dense matter physics
journal, March 2015
- Fletcher, L. B.; Lee, H. J.; Döppner, T.
- Nature Photonics, Vol. 9, Issue 4
Shock launching in silicon studied with use of pulsed x-ray diffraction
journal, June 1987
- Wark, J. S.; Whitlock, R. R.; Hauer, A.
- Physical Review B, Vol. 35, Issue 17
Subnanosecond x-ray diffraction from laser-shocked crystals
journal, September 1989
- Wark, Justin S.; Whitlock, Robert R.; Hauer, Allan A.
- Physical Review B, Vol. 40, Issue 8
Shock-Wave Exploration of the High-Pressure Phases of Carbon
journal, December 2008
- Knudson, M. D.; Desjarlais, M. P.; Dolan, D. H.
- Science, Vol. 322, Issue 5909
Melting temperature of diamond at ultrahigh pressure
journal, November 2009
- Eggert, J. H.; Hicks, D. G.; Celliers, P. M.
- Nature Physics, Vol. 6, Issue 1
Strength effects in diamond under shock compression from 0.1 to 1 TPa
journal, January 2010
- McWilliams, R. S.; Eggert, J. H.; Hicks, D. G.
- Physical Review B, Vol. 81, Issue 1
The strength of single crystal copper under uniaxial shock compression at 100 GPa
journal, January 2010
- Murphy, W. J.; Higginbotham, A.; Kimminau, G.
- Journal of Physics: Condensed Matter, Vol. 22, Issue 6
Material strength determination in the shock compressed state using x-ray diffraction measurements
journal, June 2011
- Turneaure, Stefan J.; Gupta, Y. M.
- Journal of Applied Physics, Vol. 109, Issue 12
In situ x-ray diffraction measurements of the ratio in the high-pressure phase of shock-compressed polycrystalline iron
journal, April 2011
- Hawreliak, James A.; El-Dasher, Bassem; Lorenzana, Hector
- Physical Review B, Vol. 83, Issue 14
The elastic-plastic response of aluminum films to ultrafast laser-generated shocks
journal, January 2011
- Whitley, V. H.; McGrane, S. D.; Eakins, D. E.
- Journal of Applied Physics, Vol. 109, Issue 1
Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter
journal, October 2013
- Milathianaki, D.; Boutet, S.; Williams, G. J.
- Science, Vol. 342, Issue 6155
Lattice-level observation of the elastic-to-plastic relaxation process with subnanosecond resolution in shock-compressed Ta using time-resolved in situ Laue diffraction
journal, September 2015
- Wehrenberg, C. E.; Comley, A. J.; Barton, N. R.
- Physical Review B, Vol. 92, Issue 10
Ramp compression of diamond to five terapascals
journal, July 2014
- Smith, R. F.; Eggert, J. H.; Jeanloz, R.
- Nature, Vol. 511, Issue 7509
Isentropic compression experiments on the Sandia Z accelerator
journal, May 2000
- Hall, Clint A.
- Physics of Plasmas, Vol. 7, Issue 5
Experimental configuration for isentropic compression of solids using pulsed magnetic loading
journal, September 2001
- Hall, C. A.; Asay, J. R.; Knudson, M. D.
- Review of Scientific Instruments, Vol. 72, Issue 9, p. 3587-3595
Magnetically driven isentropic compression experiments on the Z accelerator
journal, January 2001
- Reisman, D. B.; Toor, A.; Cauble, R. C.
- Journal of Applied Physics, Vol. 89, Issue 3, Article No. 1625
Laser-Driven Plasma Loader for Shockless Compression and Acceleration of Samples in the Solid State
journal, February 2004
- Edwards, J.; Lorenz, K. T.; Remington, B. A.
- Physical Review Letters, Vol. 92, Issue 7
Experimental results of tantalum material strength at high pressure and high strain rate
conference, January 2012
- Park, Hye-Sook; Barton, Nathan; Belof, Jonathan L.
- SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
The lattice strains in a specimen (cubic system) compressed nonhydrostatically in an opposed anvil device
journal, May 1993
- Singh, Anil K.
- Journal of Applied Physics, Vol. 73, Issue 9
Prediction of Debye-Scherrer diffraction patterns in arbitrarily strained samples
journal, May 2014
- Higginbotham, Andrew; McGonegle, David
- Journal of Applied Physics, Vol. 115, Issue 17
Shock compression of diamond crystal
journal, April 1983
- Kondo, Ken-ichi; Ahrens, Thomas J.
- Geophysical Research Letters, Vol. 10, Issue 4
ABINIT: First-principles approach to material and nanosystem properties
journal, December 2009
- Gonze, X.; Amadon, B.; Anglade, P. -M.
- Computer Physics Communications, Vol. 180, Issue 12
Large-scale ab initio calculations based on three levels of parallelization
journal, April 2008
- Bottin, François; Leroux, Stéphane; Knyazev, Andrew
- Computational Materials Science, Vol. 42, Issue 2
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Texture and anisotropy
journal, July 2004
- Wenk, H-R; Houtte, P. Van
- Reports on Progress in Physics, Vol. 67, Issue 8
Simulations of in situ x-ray diffraction from uniaxially compressed highly textured polycrystalline targets
journal, August 2015
- McGonegle, David; Milathianaki, Despina; Remington, Bruce A.
- Journal of Applied Physics, Vol. 118, Issue 6
Matter under extreme conditions experiments at the Linac Coherent Light Source
journal, April 2016
- Glenzer, S. H.; Fletcher, L. B.; Galtier, E.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 9
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- Sargazi, Ghasem; Afzali, Daryoush; Mostafavi, Ali
- Applied Organometallic Chemistry, Vol. 33, Issue 4