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Title: Neutron diffraction measurements and micromechanical modelling of temperature-dependent variations in TATB lattice parameters

Journal Article · · Propellants, Explosives, Pyrotechnics
 [1];  [1];  [1];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
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Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion (“ratchet growth”) when thermally cycled. A theoretical understanding of the relationship between anisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-based PBXs under various thermal environments. In this work, TATB lattice parameters were measured using neutron diffraction during thermal cycling of loose powder and a pressed pellet. The measured lattice parameters help clarify conflicting reports in the literature as these new results are more consistent with one set of previous results than another. The lattice parameters of pressed TATB were also measured as a function of temperature, showing some differences from the powder. This data is used along with anisotropic single-crystal stiffness moduli reported in the literature to model the nominal stresses associated with intergranular constraints during thermal expansion. The texture of both specimens were characterized and the pressed pellet exhibits preferential orientation of (001) poles along the pressing direction, whereas no preferred orientation was found for the loose powder. Lastly, thermal strains for single-crystal TATB computed from lattice parameter data for the powder is input to a self-consistent micromechanical model, which predicts the lattice parameters of the constrained TATB crystals within the pellet. The agreement of these model results with the diffraction data obtained from the pellet is discussed along with future directions of research.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC52-06NA25396
OSTI ID:
1255254
Report Number(s):
LA-UR-15-28030
Journal Information:
Propellants, Explosives, Pyrotechnics, Vol. 824, Issue C; ISSN 0721-3115
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

References (42)

Self-consistent modeling of the influence of texture on thermal expansion in polycrystalline TATB journal September 2014
Density-Dependent Acoustic Properties of pbx 9502
  • Brown, G. W.; Thompson, D. G.; DeLuca, R.
  • SHOCK COMPRESSION OF CONDENSED MATTER 2009: Proceedings of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3295147
conference January 2009
Development of a lab-scale, high-resolution, tube-generated X-ray computed-tomography system for three-dimensional (3D) materials characterization journal June 2014
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
Crystal State of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB) Undergoing Thermal Cycling Process journal June 2010
The Effect of Shear Strain on Texture in Pressed Plastic Bonded Explosives journal May 2013
Numerical and experimental study of thermal explosions in LX-10 and PBX 9501: Influence of thermal damage on deflagration processes journal July 2013
Texture measurements using the new neutron diffractometer HIPPO and their analysis using the Rietveld method journal March 2004
Self-consistent modelling of the mechanical behaviour of viscoplastic polycrystals incorporating intragranular field fluctuations journal August 2007
Synthesis and Characterization of Ultrafine TATB journal September 2007
High pressure spectroscopic studies of hydrazine (N 2 H 4 ) journal May 2014
Time-Evolution of TATB-Based Irreversible Thermal Expansion (Ratchet Growth) journal July 2015
Growth of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) I. Anisotropic thermal expansion journal March 1979
A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature journal December 2009
Ab initio based force field and molecular dynamics simulations of crystalline TATB journal April 2004
The Microstructure of TATB-Based Explosive Formulations During Temperature Cycling Using Ultra-Small-Angle X-Ray Scattering journal October 2009
Neutron scattering lengths and cross sections journal January 1992
On the overall elastic moduli of composite materials journal September 1969
The Los Alamos Neutron Science Center
  • Lisowski, Paul W.; Schoenberg, Kurt F.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 562, Issue 2 https://doi.org/10.1016/j.nima.2006.02.178
journal June 2006
Growth of 1,3,5-Triamino-2,4,6,-Trinitrobenzene (TATB). II. Control of growth by use of high Tg polymeric binders journal April 1981
The insensitive high explosive triaminotrinitrobenzene (TATB): Development and characterization, 1888 to 1994 report August 1995
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
Microstructural effects of processing in the plastic-bonded explosive Composition A-3 journal April 2013
Continuum micro-mechanics of elastoplastic polycrystals journal April 1965
Rietveld texture analysis from TOF neutron diffraction data journal September 2010
Revisiting elastic anisotropy of biotite gneiss from the Outokumpu scientific drill hole based on new texture measurements and texture-based velocity calculations journal October 2012
Texture analysis with the new HIPPO TOF diffractometer
  • 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 https://doi.org/10.1016/j.nima.2003.05.001
journal December 2003
Effects of crystal quality and preferred orientation on the irreversible growth of compact TATB cylindrical explosives journal September 2013
The determination of the elastic field of an ellipsoidal inclusion, and related problems journal August 1957
The Effects of TATB Ratchet Growth on PBX 9502 journal October 2010
Neutron Production, Neutron Facilities and Neutron Instrumentation journal January 2006
Growth and Defects of Explosives Crystals journal January 1992
Thermal expansion of TATB-based explosives from 300 to 566 K journal February 2002
The crystal structure of 1,3,5-triamino-2,4,6-trinitrobenzene journal May 1965
Nanoindentation of explosive polymer composites to simulate deformation and failure journal October 2012
The Thermal Expansion of Pure Metals: Copper, Gold, Aluminum, Nickel, and Iron journal October 1941
A six-axis robotic sample changer for high-throughput neutron powder diffraction and texture measurements journal November 2014
Experimental error caused by sample displacement in time-of-flight neutron diffractometry journal September 2002
Quantitative texture analysis with the HIPPO neutron TOF diffractometer journal May 2005
gsaslanguage: a GSAS script language for automated Rietveld refinements of diffraction data journal July 2011
Elastic properties of reinforced solids: Some theoretical principles journal September 1963
A selfconsistent formulation for the prediction of the anisotropic behavior of viscoplastic polycrystals with voids journal February 2004

Cited By (4)

Flow-through compression cell for small-angle and ultra-small-angle neutron scattering measurements journal May 2018
Thermal cycling and ratchet growth of as-pressed TATB pellets
  • Woznick, Caitlin S.; Thompson, Darla Graff; DeLuca, Racci
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2017: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.5044808
conference January 2018
Effective Thermoelasticity of Polymer-Bonded Particle Composites with Imperfect Interfaces and Thermally Expansive Interphases journal September 2018
The Ubiquitiformal Characterization of the Mesostructures of Polymer-Bonded Explosives journal November 2019

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73 NUCLEAR PHYSICS AND RADIATION PHYSICS
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Explosive
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