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Hotspot formation due to shock-induced pore collapse in 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX): Role of pore shape and shock strength in collapse mechanism and temperature

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/5.0005872· OSTI ID:1643769
The shock to detonation transition in heterogeneous high energy density solids starts with the spatial localization of mechanical energy into so-called hotspots that form due to the interaction between the leading wave and microstructural features and defects. We used large-scale molecular dynamics to characterize the hotspots resulting from the shock-induced collapse of cylindrical voids and elongated cracks focusing on the effect of shock strength, defect shape, and size. The temperature fields resulting from the collapse of cracks elongated along the shock direction show significantly higher sensitivity to both shock strength and size than cylindrical voids. Cracks 80 nm in length result in temperatures almost three times higher than voids 80 nm in diameter, reaching values corresponding to the ideal case of isentropic recompression of a gas. The molecular dynamics trajectories reveal the atomic origin of this contrasting behavior. While circular voids undergo a transition from viscoelastic pore collapse to a hydrodynamic regime with increasing shock strength, shock focusing in elongated cracks results in jetting and vaporization which, upon recompression, leads to increased heating.
Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC52-07NA27344
OSTI ID:
1643769
Alternate ID(s):
OSTI ID: 1616782
Report Number(s):
LLNL-JRNL--804048; 1006408
Journal Information:
Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 17 Vol. 127; ISSN 0021-8979; ISSN 1089-7550
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (29)

Modeling The Effects of Shock Pressure and Pore Morphology on Hot Spot Mechanisms in HMX journal June 2018
Shock Initiation Microscopy with High Time and Space Resolution journal November 2019
Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale journal September 2015
Role of Molecular Disorder on the Reactivity of RDX journal November 2018
Critical Conditions for Impact- and Shock-Induced Hot Spots in Solid Explosives journal January 1996
Quantum Chemistry Based Force Field for Simulations of HMX journal May 1999
Catalytic behaviour of dense hot water journal March 2009
Synthesis of glycine-containing complexes in impacts of comets on early Earth journal September 2010
Shock synthesis of amino acids from impacting cometary and icy planet surface analogues journal September 2013
High-velocity projectile impact induced 9R phase in ultrafine-grained aluminium journal November 2017
Reactive burn models and ignition & growth concept journal January 2010
Static and Dynamic Pore‐Collapse Relations for Ductile Porous Materials journal April 1972
Reply to Comments by Enig and Petrone journal January 1965
Shocked molecular solids: Vibrational up pumping, defect hot spot formation, and the onset of chemistry journal March 1990
Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal journal May 2015
Shock initiation of explosives: Temperature spikes and growth spurts journal August 2016
Shock initiation of explosives: High temperature hot spots explained journal August 2017
Understanding the shock and detonation response of high explosives at the continuum and meso scales journal March 2018
Hot-spot generation and growth in shocked plastic-bonded explosives studied by optical pyrometry journal June 2019
Phenomenological model of shock initiation in heterogeneous explosives journal January 1980
Defect evolution and pore collapse in crystalline energetic materials journal February 2009
Effects of void size, density, and arrangement on deflagration and detonation sensitivity of a reactive empirical bond order high explosive journal December 2010
Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive journal August 2016
Multiscale modeling of shock wave localization in porous energetic material journal January 2018
Frozen and active regions in diffusion-limited aggregation clusters journal May 1996
Detonations at nanometer resolution using molecular dynamics journal April 1993
Atomistic Mechanism for Hot Spot Initiation journal December 2002
Microscopic View of Structural Phase Transitions Induced by Shock Waves journal May 2002
Shock-Wave Exploration of the High-Pressure Phases of Carbon journal December 2008

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