Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session N24: Matter at Extreme Conditions: Energetic Materials IIIFocus Session Recordings Available
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Sponsoring Units: GSCCM Chair: Matthew Kroonblawd, Lawrence Livermore Natl Lab Room: McCormick Place W-186C |
Wednesday, March 16, 2022 11:30AM - 12:06PM |
N24.00001: Observing Hot Spots in a Model Plastic-Bonded Explosive with Shock Compression Microscopy Invited Speaker: Belinda Pacheco Hot spot behavior influences the sensitivity and shock-to-detonation transition of plastic-bonded explosives (PBXs). Yet, experimental observation of hot spots has been precluded by detection techniques which can resolve the multiple time and length scales at which hot spots exist (fs-µs, nm-µm). We aim to better understand the underlying, microstructure-induced sensitivity of PBXs by, 1) conducting tabletop experiments on individual explosive crystals to elucidate hot spot dynamics and temperatures, and 2) comparing results to microstructurally informed, reactive simulations. We have developed a tabletop apparatus which employs laser-driven flyer plates to impart initiating shocks to the explosive sample. Multiple optical and spectroscopic probes are coupled to the apparatus which image explosive emission with μm spatial resolution and resolve hot spot temperatures down to several ns. The explosive samples consisted of 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane single crystals embedded in a transparent polymer which are shocked at several input pressures. Simulations were conducted using conducted using interface-resolved reactive simulations using a sharp-interface Eulerian framework. This new methodology provides the means to evaluate the influence of microstructural energy localization and predict mesoscale behavior of PBXs. |
Wednesday, March 16, 2022 12:06PM - 12:18PM |
N24.00002: Shock Hugoniot measurements of T2 TATB composition compressed to 70 GPa Arnaud Sollier, Philippe Hébert, Michel Doucet We have performed laser-driven and flyer-driven shock compressions experiments on T2 TATB composition (97 wt.% TATB) to measure its Hugoniot to 70 GPa. We have used thin (~350 μm) stepped targets to account for the unsteady wave character. Photonic Doppler Velocimetry (PDV) was used to measure velocity histories (wave profiles) at the sample free surface, and a streak camera was used to determine the shock transit time through the sample. Shock velocities, US, were calculated from sample thicknesses and shock transit times, and particle velocities, uP, were directly calculated from the measured free surface velocities. Our experimental data have been compared to reacted and unreacted Hugoniot models, along with existing static and dynamic high pressure measurements. These data will help to improve equation of state models for TATB and to better understand the high pressure kinetics of reaction in this insensitive high explosive. |
Wednesday, March 16, 2022 12:18PM - 12:30PM |
N24.00003: Dynamic behavior of crystal energetic material (sugar) under uniaxial plate impact configuration Rafee Mahbub, John P Borg, Dr. Ronald A Coutu, Jack D Borg Uniaxial plate impact experiments were performed to assess the dynamic response of heterogeneous mixtures of polydimethylsiloxane (PDMS) and sugar. The individual constituents were impacted in wave reverberation experiments to obtain the response of each independently before mixtures were constructed. Geometric complexity was introduced by initially including a single sugar grain embedded within PDMS, then a small array of grains, eventually sugar was added to mass mixtures of nearly 80/20 PDMS/sugar. Photon Doppler Velocimetry (PDV) was applied to monitor the particle velocities of the targets. Simulations were performed with two hydrocodes: a three-dimensional Eulerian code (CTH) and a one-dimensional Lagrangian code (KO). The simulations were used to better interpret the experimental results, as well as to assess the necessary mesoscale mechanisms to reproduce experimentally obtained shock profile signatures. The initial geometries for the simulations were obtained from 3D x-ray computed tomography obtained from the test articles and the PDV locations were selected in order to make a direct comparison with the simulations. |
Wednesday, March 16, 2022 12:30PM - 12:42PM |
N24.00004: Pressure and temperature dependent thermal conductivity tensor of high explosive crystals Romain Perriot
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Wednesday, March 16, 2022 12:42PM - 12:54PM |
N24.00005: PBX builder for atomistic simulation studies of energetic materials Chunyu Li, Brenden W Hamilton, Alejandro H Strachan Polymer-bonded explosives (PBXs) are formed by combining high energy explosives with polymeric binders. Potentially, PBXs can have both improved safety and high performance by tuning the combination and composition. So far, this tuning is mainly relying on experiments. But with the development of supercomputers, there is great demand for PBX simulations at different length scales, which could facilitate the PBX optimization. Currently, at the PBX level, there are only continumm modeling or mesoscale modeling. MD simulation studies have been mostly focused on the individual energetic or polymer components, with some performed to understand the effect of interface. |
Wednesday, March 16, 2022 12:54PM - 1:06PM Withdrawn |
N24.00006: A DSD Acceleration Effect in the Front Propagation with Dual HE detonation Initiation Jin Yao Experiments show that when two HE materials placed adjacently, a fast-propagating detonation in one of the HE regions can sometimes initiate a detonation in the other HE. Direct numerical simulations support this phenomenon. Let A and B stand for the two HE materials. In a typical case, the driving detonation in HE A has a propagation speed faster than the CJ velocity in HE B, and the induced detonation in B is necessarily concave. |
Wednesday, March 16, 2022 1:06PM - 1:18PM |
N24.00007: First-principles based physics-informed models for sensitivity and thermo-mechanical of energetic crystals Santanu Chaudhuri Development of first-principles based property databases for energetics materials and comparing them with available experimental records are currently done by multiple sources. Benchmarking of first-principles methods for a set of known energetic crystals and creating a repository is an important need for the community. In this effort, we have made progress in benchmarking different dispersion corrected DFT methods and compared their accuracy against experimental datasets. We will discuss the results from first-principles training data for bulk modulus and pressure derivative, temperature-dependent equation of state, thermal expansion coefficient, isobaric heat capacity, Grüneisen parameter, Hugoniot EoS and ranking for shock sensitivity using an overtone-based model. This data set is used for training a machine learning model that can provide initial estimates for properties of unknown HE crystals and co-crystals. The physics-informed machine learning models and the order of features of importance for sensitivity are also pointing to the complexity of sensitivity prediction models long recognized in the community. Integration of models for property predictions grounded in fundamental electronic structure and crystal packing perform better than past empirical models. |
Wednesday, March 16, 2022 1:18PM - 1:30PM |
N24.00008: Affine Particle-in-cell simulations of shock-induced pore collapse in HMX crystal with multiplicative pressure-sensitive crystal plasticity WaiChing Sun, Ran Ma Cyclotetramethylene-Tetranitramine (HMX) is a secondary explosive used in military and civilian applications. Its plastic deformation under shock is of importance in the initiation of the decomposition reaction. It has been recently shown through continuum-scale parameter study that the pressure sensitivity of the elastic stiffness, the critical resolved shear stress (CRSS), and the melting temperature influences the prediction of the hot spot evolution during the shock. In this talk, we present an atomistic-informed crystal plasticity model with pressure-dependent hyperelasticity, critical resolved shear stress, and melting temperature. This constitutive law is incorporated in an affine particle-in-cell material point solver that conserves energy and momentum. The resultant model is capable of reproducing the monoclinic elastoplastic responses as well as the pressure sensitivity of crystalline HMX even undergoing extremely large deformation. We further employ this model in pore collapse simulations under shock loading, and we perform a head-to-head comparison with corresponding atomistic-scale simulations. The onset of shear banding, the contact mechanisms and the shock wave propagation are compared with benchmark cases. |
Wednesday, March 16, 2022 1:30PM - 2:06PM |
N24.00009: Finite element models for the high-rate deformation of explosives Invited Speaker: Milovan Zecevic
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Wednesday, March 16, 2022 2:06PM - 2:18PM |
N24.00010: Understanding the response of secondary solid explosives to weak impacts Pamela Bowlan, Natalya Suvorova, Dennis Remelius, Laura Smilowitz, Bryan F Henson Secondary solid explosives, such as HMX, TNT or TATB, are an important class of explosives due to their balance between sensitivity and performance. While there has been a lot of research on the shock response of these materials, much less is known about how they respond to weaker and slower impacts, in the less than one Gigapascal range. Because temperature governs the chemical kinetics, which lead to the release of energy by the explosive, understanding how an impact heats the material is key to understanding the response. Therefore, we have developed a gun impact capability employing a suite of in situ diagnostics to measure the response of the explosive, including spatially and temporally resolved temperature measurements, pressure measurements, high-speed visible imaging and x-ray diagnostics. In this talk, we will present our latest measurements, including the response versus impact velocity and a comparison of different secondary solid explosive materials. |
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