Using Neutron Diffraction to Investigate Texture Evolution During Consolidation of Deuterated Triaminotrinitrobenzene (d-TATB) Explosive Powder
Abstract
Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. A complete understanding of the orientation distribution of TATB particles throughout a PBX charge is required to understand spatially variable, anisotropic macroscale properties of the charge. Although texture of these materials can be measured after they have been subjected to mechanical or thermal loads, measuring texture evolution in situ is important in order to identify mechanisms of crystal deformation and reorientation used to better inform thermomechanical models. Neutron diffraction measurements were used to estimate crystallographic reorientation while deuterated TATB (d-TATB) powder was consolidated into a cylindrical pellet via a uniaxial die-pressing operation at room temperature. Both the final texture of the pressed pellet and the in situ evolution of texture during pressing were measured, showing that the d-TATB grains reorient such that (001) poles become preferentially aligned with the pressing direction. A compaction model is used to predict the evolution of texture in the pellet during the pressing process, finding that the original model overpredicted the texture strength compared to these measurements. The theory was extended to account for initial particle shape and pore space, bringing the results into good agreement with the data.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1360703
- Report Number(s):
- LA-UR-16-22937
Journal ID: ISSN 2073-4352
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Crystals
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 5; Journal ID: ISSN 2073-4352
- Publisher:
- MDPI
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; neutron diffraction, texture, powder compaction, TATB
Citation Formats
Luscher, Darby J., Yeager, John D., Clausen, Bjørn, Vogel, Sven C., Higginbotham Duque, Amanda L., and Brown, Donald W. Using Neutron Diffraction to Investigate Texture Evolution During Consolidation of Deuterated Triaminotrinitrobenzene (d-TATB) Explosive Powder. United States: N. p., 2017.
Web. doi:10.3390/cryst7050138.
Luscher, Darby J., Yeager, John D., Clausen, Bjørn, Vogel, Sven C., Higginbotham Duque, Amanda L., & Brown, Donald W. Using Neutron Diffraction to Investigate Texture Evolution During Consolidation of Deuterated Triaminotrinitrobenzene (d-TATB) Explosive Powder. United States. https://doi.org/10.3390/cryst7050138
Luscher, Darby J., Yeager, John D., Clausen, Bjørn, Vogel, Sven C., Higginbotham Duque, Amanda L., and Brown, Donald W. Sun .
"Using Neutron Diffraction to Investigate Texture Evolution During Consolidation of Deuterated Triaminotrinitrobenzene (d-TATB) Explosive Powder". United States. https://doi.org/10.3390/cryst7050138. https://www.osti.gov/servlets/purl/1360703.
@article{osti_1360703,
title = {Using Neutron Diffraction to Investigate Texture Evolution During Consolidation of Deuterated Triaminotrinitrobenzene (d-TATB) Explosive Powder},
author = {Luscher, Darby J. and Yeager, John D. and Clausen, Bjørn and Vogel, Sven C. and Higginbotham Duque, Amanda L. and Brown, Donald W.},
abstractNote = {Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. A complete understanding of the orientation distribution of TATB particles throughout a PBX charge is required to understand spatially variable, anisotropic macroscale properties of the charge. Although texture of these materials can be measured after they have been subjected to mechanical or thermal loads, measuring texture evolution in situ is important in order to identify mechanisms of crystal deformation and reorientation used to better inform thermomechanical models. Neutron diffraction measurements were used to estimate crystallographic reorientation while deuterated TATB (d-TATB) powder was consolidated into a cylindrical pellet via a uniaxial die-pressing operation at room temperature. Both the final texture of the pressed pellet and the in situ evolution of texture during pressing were measured, showing that the d-TATB grains reorient such that (001) poles become preferentially aligned with the pressing direction. A compaction model is used to predict the evolution of texture in the pellet during the pressing process, finding that the original model overpredicted the texture strength compared to these measurements. The theory was extended to account for initial particle shape and pore space, bringing the results into good agreement with the data.},
doi = {10.3390/cryst7050138},
journal = {Crystals},
number = 5,
volume = 7,
place = {United States},
year = {Sun May 14 00:00:00 EDT 2017},
month = {Sun May 14 00:00:00 EDT 2017}
}
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Works referenced in this record:
A semi-implicit integration scheme for a combined viscoelastic-damage model of plastic bonded explosives: SEMI-IMPLICIT IMPLEMENTATION OF VISCOSCRAM
journal, April 2014
- Buechler, Miles A.; Luscher, Darby J.
- International Journal for Numerical Methods in Engineering, Vol. 99, Issue 1
gsaslanguage: a GSAS script language for automated Rietveld refinements of diffraction data
journal, July 2011
- Vogel, Sven C.
- Journal of Applied Crystallography, Vol. 44, Issue 4
The crystal structure of 1,3,5-triamino-2,4,6-trinitrobenzene
journal, May 1965
- Cady, H. H.; Larson, A. C.
- Acta Crystallographica, Vol. 18, Issue 3
Self-consistent modeling of the influence of texture on thermal expansion in polycrystalline TATB
journal, September 2014
- Luscher, D. J.; Buechler, M. A.; Miller, N. A.
- Modelling and Simulation in Materials Science and Engineering, Vol. 22, Issue 7
Experiments on the origin of slaty cleavage and schistosity
journal, January 1976
- Tullis, Terry E.
- Geological Society of America Bulletin, Vol. 87, Issue 5
Self-consistent modelling of the plastic deformation of f.c.c. polycrystals and its implications for diffraction measurements of internal stresses
journal, May 1998
- Clausen, B.; Lorentzen, T.; Leffers, T.
- Acta Materialia, Vol. 46, Issue 9
Nanoindentation of explosive polymer composites to simulate deformation and failure
journal, October 2012
- Yeager, J. D.; Ramos, K. J.; Singh, S.
- Materials Science and Technology, Vol. 28, Issue 9-10
Generalized stacking fault energies in the basal plane of triclinic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)
journal, January 2015
- Mathew, Nithin; Sewell, Thomas D.
- Philosophical Magazine, Vol. 95, Issue 4
Texture development in platy materials: comparison of Bi2223 aggregates with phyllosilicate fabrics
journal, November 1995
- Sintubin, M.; Wenk, H. -R.; Phillips, D. S.
- Materials Science and Engineering: A, Vol. 202, Issue 1-2
Correction of intensities for preferred orientation in powder diffractometry: application of the March model
journal, August 1986
- Dollase, W. A.
- Journal of Applied Crystallography, Vol. 19, Issue 4
Crystal State of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB) Undergoing Thermal Cycling Process
journal, June 2010
- Sun, Jie; Kang, Bin; Xue, Chao
- Journal of Energetic Materials, Vol. 28, Issue 3
Small-Angle Neutron Scattering and Contrast Variation Measurement of the Interfacial Surface Area in PBX 9501 as a Function of Pressing Intensity
journal, September 2011
- Mang, Joseph T.; Hjelm, Rex P.
- Propellants, Explosives, Pyrotechnics, Vol. 36, Issue 5
A theory for plastic-bonded materials with a bimodal size distribution of filler particles
journal, February 2004
- Clements, B. E.; Mas, E. M.
- Modelling and Simulation in Materials Science and Engineering, Vol. 12, Issue 3
The Effect of Shear Strain on Texture in Pressed Plastic Bonded Explosives
journal, May 2013
- Schwarz, Ricardo B.; Brown, Geoffrey W.; Thompson, Darla G.
- Propellants, Explosives, Pyrotechnics, Vol. 38, Issue 5
Thickness-Driven Orthorhombic to Triclinic Phase Transformation in Pentacene Thin Films
journal, April 2005
- Drummy, L. F.; Martin, D. C.
- Advanced Materials, Vol. 17, Issue 7
Texture measurements using the new neutron diffractometer HIPPO and their analysis using the Rietveld method
journal, March 2004
- Vogel, Sven C.; Hartig, Christian; Lutterotti, Luca
- Powder Diffraction, Vol. 19, Issue 1
R factors in Rietveld analysis: How good is good enough?
journal, March 2006
- Toby, Brian H.
- Powder Diffraction, Vol. 21, Issue 1
Compaction fabrics of pelites: experimental consolidation of kaolinite and implications for analysis of strain in slate
journal, September 1993
- Baker, David W.; Chawla, Kanwarjit S.; Krizek, Raymond J.
- Journal of Structural Geology, Vol. 15, Issue 9-10
Microstructure and texture evolution in gel-cast α-alumina/alumina platelet ceramic composites
journal, December 2005
- Wei, Ming; Zhi, Dan; Brandon, David G.
- Scripta Materialia, Vol. 53, Issue 12
Study of slip mechanisms in a magnesium alloy by neutron diffraction and modeling
journal, April 2003
- Agnew, S. R.; Tomé, C. N.; Brown, D. W.
- Scripta Materialia, Vol. 48, Issue 8
Synthesis and Characterization of Ultrafine TATB
journal, September 2007
- Nandi, A. K.; Kasar, S. M.; Thanigaivelan, U.
- Journal of Energetic Materials, Vol. 25, Issue 4
High pressure spectroscopic studies of hydrazine (N 2 H 4 )
journal, May 2014
- Chellappa, Raja; Dattelbaum, Dana; Daemen, Luke
- Journal of Physics: Conference Series, Vol. 500, Issue 5
Growth of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) I. Anisotropic thermal expansion
journal, March 1979
- Kolb, John R.; Rizzo, H. F.
- Propellants, Explosives, Pyrotechnics, Vol. 4, Issue 1
Neutron diffraction study of the deformation mechanisms of the uranium–7wt.% niobium shape memory alloy
journal, April 2006
- Brown, D. W.; Bourke, M. A. M.; Field, R. D.
- Materials Science and Engineering: A, Vol. 421, Issue 1-2
Neutron Diffraction Measurements and Micromechanical Modelling of Temperature‐Dependent Variations in TATB Lattice Parameters
journal, February 2016
- Yeager, John D.; Luscher, Darby J.; Vogel, Sven C.
- Propellants, Explosives, Pyrotechnics, Vol. 41, Issue 3
Fast quantitative analysis of strong uniaxial texture using a March–Dollase approach
journal, November 2013
- Zolotoyabko, Emil
- Journal of Applied Crystallography, Vol. 46, Issue 6
SMARTS - a spectrometer for strain measurement in engineering materials
journal, December 2002
- Bourke, M. A. M.; Dunand, D. C.; Ustundag, E.
- Applied Physics A: Materials Science & Processing, Vol. 74, Issue 0
Quantitative texture analysis with the HIPPO neutron TOF diffractometer
journal, May 2005
- Matthies, S.; Pehl, J.; Wenk, H. -R.
- Journal of Applied Crystallography, Vol. 38, Issue 3
Modeling the Effects of Texture on Thermal Expansion in Pressed PBX 9502 Components
conference, February 2017
- Buechler, Miles A.; Miller, Nathan A.; Luscher, D. J.
- ASME 2016 International Mechanical Engineering Congress and Exposition, Volume 9: Mechanics of Solids, Structures and Fluids; NDE, Diagnosis, and Prognosis
Pressure Dependence of the Reaction Propagation Rate of TATB at High Pressure: Reaction Propagation Rate of TATB
journal, August 1993
- Foltz, M. Frances
- Propellants, Explosives, Pyrotechnics, Vol. 18, Issue 4
popLA - An Integrated Software System for Texture Analysis
journal, January 1991
- Kallend, John S.; Kocks, U. F.; Rollett, A. D.
- Textures and Microstructures, Vol. 14
Strain modification of angular density distributions
journal, February 1973
- Owens, W. H.
- Tectonophysics, Vol. 16, Issue 3-4
Comparison of Texture Analysis Techniques for Highly Oriented α-Al2O3
journal, August 2000
- Seabaugh, Matthew M.; Vaudin, Mark D.; Cline, James P.
- Journal of the American Ceramic Society, Vol. 83, Issue 8
Growth of 1,3,5-Triamino-2,4,6,-Trinitrobenzene (TATB). II. Control of growth by use of high-Tg polymeric binders
journal, June 1981
- Rizzo, H. F.; Humphrey, J. R.; Kolb, J. R.
- Propellants, Explosives, Pyrotechnics, Vol. 6, Issue 3
X-Band Microwave Properties and Ignition Predictions of Neat Explosives
journal, October 2013
- Daily, Megan E.; Glover, Brian B.; Son, Steven F.
- Propellants, Explosives, Pyrotechnics, Vol. 38, Issue 6
Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders
journal, January 2005
- Sitepu, Husin; O'Connor, Brian H.; Li, Deyu
- Journal of Applied Crystallography, Vol. 38, Issue 1
Rietveld texture analysis from TOF neutron diffraction data
journal, September 2010
- Wenk, H. -R.; Lutterotti, L.; Vogel, S. C.
- Powder Diffraction, Vol. 25, Issue 3
Mesoscale modeling of irreversible volume growth in powders of anisotropic crystals
journal, June 2007
- Gee, Richard H.; Maiti, Amitesh; Fried, Laurence E.
- Applied Physics Letters, Vol. 90, Issue 25
A self-consistent anisotropic approach for the simulation of plastic deformation and texture development of polycrystals: Application to zirconium alloys
journal, September 1993
- Lebensohn, R. A.; Tomé, C. N.
- Acta Metallurgica et Materialia, Vol. 41, Issue 9
Texture analysis with the new HIPPO TOF diffractometer
journal, December 2003
- Wenk, H. -R.; Lutterotti, L.; Vogel, S.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 515, Issue 3
In Situ Observations of Templated Grain Growth in (Na0.5K0.5)0.98Li0.02NbO3 Piezoceramics: Texture Development and Template-Matrix Interactions
journal, May 2012
- Tutuncu, Goknur; Chang, Yunfei; Poterala, Stephen
- Journal of the American Ceramic Society, Vol. 95, Issue 8
Works referencing / citing this record:
Indentation fracture behavior of energetic and inert molecular crystals
journal, November 2019
- Burch, Alexandra C.; Yeager, John D.; Bahr, David F.
- Journal of Materials Research, Vol. 34, Issue 23