Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition

Willey, Trevor M.; Lauderbach, Lisa; Gagliardi, Franco; van Buuren, Tony; Glascoe, Elizabeth A.; Tringe, Joseph W.; Lee, Jonathan R.  I.; Springer, H. Keo; Ilavsky, Jan

doi:10.1063/1.4927614

Title: Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition

Journal Article · Fri Aug 07 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4927614· OSTI ID:1241990

Willey, Trevor M. ^[1]; Lauderbach, Lisa ^[1]; Gagliardi, Franco ^[1]; van Buuren, Tony ^[1];

^[1]; Tringe, Joseph W. ^[1]; Lee, Jonathan R. I. ^[1]; Springer, H. Keo ^[1];

^[2]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

HMX-based explosives LX-10 and PBX-9501 were heated through the β-δ phase transition. Ultra-small angle x-ray scattering (USAXS) and molecular diffraction were simultaneously recorded as the HMX was heated. Mesoscale voids and structure dramatically change promptly with the β-δ phase transition, rather than with other thermal effects. Also, x-ray induced damage, observed in the USAXS, occurs more readily at elevated temperatures; as such, the dose was reduced to mitigate this effect. Optical microscopy performed during a similar heating cycle gives an indication of changes on longer length scales, while x-ray microtomography, performed before and after heating, shows the character of extensive microstructural damage resulting from the temperature cycle and solid-state phase transition.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344; AC02-05CH11231; AC02-06CH11357

OSTI ID:: 1241990

Alternate ID(s):: OSTI ID: 1229565

Report Number(s):: LLNL-JRNL-669215; JAPIAU

Journal Information:: Journal of Applied Physics, Vol. 118, Issue 5; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 37 works

Citation information provided by
Web of Science

References (26)

Nika : software for two-dimensional data reduction Ilavsky, Jan Journal of Applied Crystallography, Vol. 45, Issue 2 https://doi.org/10.1107/S0021889812004037	journal	March 2012
Shock Sensitivity of LX-04 Containing Delta Phase HMX at Elevated Temperatures Urtiew, P. A. SHOCK COMPRESSION OF CONDENSED MATTER - 2003: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.1780419	conference	January 2004
Thermal decomposition models for HMX-based plastic bonded explosives Tarver, Craig M.; Tran, Tri D. Combustion and Flame, Vol. 137, Issue 1-2 https://doi.org/10.1016/j.combustflame.2004.01.002	journal	April 2004
Rapid Materials Degradation Induced by Surfaces and Voids: Ab Initio Modeling of β-Octatetramethylene Tetranitramine Sharia, Onise; Kuklja, Maija M. Journal of the American Chemical Society, Vol. 134, Issue 28 https://doi.org/10.1021/ja3044695	journal	July 2012
Synthesis and Desensitization of Nano‐β‐HMX Risse, Benedikt; Schnell, Fabien; Spitzer, Denis Propellants, Explosives, Pyrotechnics, Vol. 39, Issue 3 https://doi.org/10.1002/prep.201300161	journal	April 2014
Violent cookoff reactions in HMX-based explosives in DDT tubes: Tracking luminous waves with streak imaging Parker, Gary; Dickson, Peter; Asay, Blaine W. 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 https://doi.org/10.1063/1.3686375	conference	January 2012
Investigating short-pulse shock initiation in HMX-based explosives with reactive meso-scale simulations Springer, H. K.; Tarver, C. M.; Reaugh, J. E. Journal of Physics: Conference Series, Vol. 500, Issue 5 https://doi.org/10.1088/1742-6596/500/5/052041	journal	May 2014
An Optical Microscopy and Small-Angle Scattering Study of Porosity in Thermally Treated PBX 9501 Mang, J. T. Shock Compression of Condensed Matter - 2001: 12th APS Topical Conference, AIP Conference Proceedings https://doi.org/10.1063/1.1483666	conference	January 2002
Molecular dynamics simulations of void defects in the energetic material HMX Duan, Xiao Hui; Li, Wen Peng; Pei, Chong Hua Journal of Molecular Modeling, Vol. 19, Issue 9 https://doi.org/10.1007/s00894-013-1924-7	journal	July 2013
Effects of Endothermic Binders on Times to Explosion of HMX- and TATB-Based Plastic Bonded Explosives Tarver, Craig M.; Koerner, Jake G. Journal of Energetic Materials, Vol. 26, Issue 1 https://doi.org/10.1080/07370650701719170	journal	December 2007
Modeling pore collapse and chemical reactions in shock-loaded HMX crystals Austin, R. A.; Barton, N. R.; Howard, W. M. Journal of Physics: Conference Series, Vol. 500, Issue 5 https://doi.org/10.1088/1742-6596/500/5/052002	journal	May 2014
Constituent properties of HMX needed for mesoscale simulations Menikoff, Ralph; Sewell, Thomas D. Combustion Theory and Modelling, Vol. 6, Issue 1 https://doi.org/10.1088/1364-7830/6/1/306	journal	March 2002
The β-δ-Phase Transition and Thermal Expansion of Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine Xue, Chao; Sun, Jie; Kang, Bin Propellants, Explosives, Pyrotechnics, Vol. 35, Issue 4 https://doi.org/10.1002/prep.200900036	journal	May 2010
Binder/HMX Interaction in PBX9501 at Elevated Temperatures Saw, Cheng K. SHOCK COMPRESSION OF CONDENSED MATTER - 2003: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.1780413	conference	January 2004
On the Permeability of Thermally Damaged PBX 9501 Zerkle, David K.; Asay, Blaine W.; Parker, Gary R. Propellants, Explosives, Pyrotechnics, Vol. 32, Issue 3 https://doi.org/10.1002/prep.200700027	journal	June 2007
Thermal cook-off of an HMX based explosive: Pressure gauge experiments and modeling Urtiew, P. A.; Forbes, J. W.; Tarver, C. M. Russian Journal of Physical Chemistry B, Vol. 1, Issue 1 https://doi.org/10.1134/S199079310701006X	journal	February 2007
Combustion of damaged PBX 9501 explosive Berghout, H. L.; Son, S. F.; Skidmore, C. B. Thermochimica Acta, Vol. 384, Issue 1-2 https://doi.org/10.1016/S0040-6031(01)00802-4	journal	February 2002
Effect of Polar Surfaces on Decomposition of Molecular Materials Kuklja, Maija M.; Tsyshevsky, Roman V.; Sharia, Onise Journal of the American Chemical Society, Vol. 136, Issue 38 https://doi.org/10.1021/ja506297e	journal	September 2014
Test-based thermal explosion model for HMX Yoh, Jack Jai-ick; McClelland, M. A.; Maienschein, J. L. Proceedings of the Combustion Institute, Vol. 31, Issue 2 https://doi.org/10.1016/j.proci.2006.08.071	journal	January 2007
X-ray micro-tomography at the Advanced Light Source MacDowell, A. A.; Parkinson, D. Y.; Haboub, A. SPIE Optical Engineering + Applications, SPIE Proceedings https://doi.org/10.1117/12.930243	conference	October 2012
Ultra-small-angle X-ray scattering at the Advanced Photon Source Ilavsky, Jan; Jemian, Pete R.; Allen, Andrew J. Journal of Applied Crystallography, Vol. 42, Issue 3 https://doi.org/10.1107/S0021889809008802	journal	April 2009
Irena : tool suite for modeling and analysis of small-angle scattering Ilavsky, Jan; Jemian, Peter R. Journal of Applied Crystallography, Vol. 42, Issue 2 https://doi.org/10.1107/S0021889809002222	journal	February 2009
Surface-Accelerated Decomposition of δ-HMX Sharia, Onise; Tsyshevsky, Roman; Kuklja, Maija M. The Journal of Physical Chemistry Letters, Vol. 4, Issue 5 https://doi.org/10.1021/jz302166p	journal	February 2013
Quantitative analysis of damage in an octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazonic-based composite explosive subjected to a linear thermal gradient Peterson, Paul D.; Mang, Joseph T.; Asay, Blaine W. Journal of Applied Physics, Vol. 97, Issue 9 https://doi.org/10.1063/1.1879072	journal	May 2005
Spatiotemporal Behavior of Void Collapse in Shocked Solids Hatano, Takahiro Physical Review Letters, Vol. 92, Issue 1 https://doi.org/10.1103/PhysRevLett.92.015503	journal	January 2004
A small-angle X-ray scattering study of micro-defects in thermally treated HMX Acta Physica Sinica, Vol. 61, Issue 13 https://doi.org/10.7498/aps.61.136101	journal	January 2012

Cited By (6)

Characterization of Crystal Microstructure Based on Small Angle X-ray Scattering (SAXS) Technique Wang, Hongfan; Xu, Jinjiang; Sun, Shanhu Molecules, Vol. 25, Issue 3 https://doi.org/10.3390/molecules25030443	journal	January 2020
In Situ Imaging during Compression of Plastic Bonded Explosives for Damage Modeling Manner, Virginia W.; Yeager, John D.; Patterson, Brian M. Materials, Vol. 10, Issue 6 https://doi.org/10.3390/ma10060638	journal	June 2017
The Thermal and Microstructural Effect of Plasticizing HMX-Nitrocellulose Composites Yeager, John D.; Watkins, Erik B.; Higginbotham Duque, Amanda L. Journal of Energetic Materials, Vol. 36, Issue 1 https://doi.org/10.1080/07370652.2017.1301597	journal	March 2017
Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials Tsyshevsky, Roman; Sharia, Onise; Kuklja, Maija Molecules, Vol. 21, Issue 2 https://doi.org/10.3390/molecules21020236	journal	February 2016
Microscale Electromagnetic Heating in Heterogeneous Energetic Materials Based on X-ray Computed Tomography Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A. Physical Review Applied, Vol. 5, Issue 4 https://doi.org/10.1103/physrevapplied.5.044008	journal	April 2016
Core-Shell Structured HMX@Polydopamine Energetic Microspheres: Synergistically Enhanced Mechanical, Thermal, and Safety Performances Lin, Congmei; Gong, Feiyan; Yang, Zhijian Polymers, Vol. 11, Issue 3 https://doi.org/10.3390/polym11030568	journal	March 2019

Similar Records

Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition

Journal Article · Fri Aug 07 00:00:00 EDT 2015 · Journal of Applied Physics · OSTI ID:1241990

Lauderbach, Lisa; Gagliardi, Franco; Buuren, Tony van; +5 more

In-Situ Monitoring of the Microstructure of TATB-based Explosive Formulations During Temperature Cycling using Ultra-small Angle X-ray Scattering

Journal Article · Wed Feb 06 00:00:00 EST 2008 · Propellants, Explosives, Pyrotechnics · OSTI ID:1241990

Willey, T M; Hoffman, D M; van Buuren, T; +6 more

Thermal Explosion Violence of HMX-Based and RDX-Based Explosives - Effects of Composition, Confinement, and Solid Phase Using the Scaled Thermal Explosion Experiment

Conference · Mon Aug 26 00:00:00 EDT 2002 · OSTI ID:1241990

Maienschein, J L; Wardell, J F

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY

Title: Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition

Citation Formats

References (26)

Cited By (6)

Similar Records

Related Subjects