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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

The high explosives & affected targets (HEAT) dataset

Artificial Intelligence (AI) surrogate models offer a computationally efficient alternative to full-physics simulations, yet no existing datasets are publicly available for training, testing, and validation of machine learning models of the dynamics of high-explosive driven shocks through multiple materials. Shock propagation through materials is a computationally challenging problem because simulations must include material-specific equations of state (EOS) along with descriptions of other physical processes such as plastic deformation, phase change, damage processes, fluid instabilities, and multi-material interactions. Shocks are typically initiated by high-velocity impacts or explosive loading. The latter case necessitates the addition of models of reactive materials to represent high-explosive (HE) detonation. Here, to address the lack of an expansive dataset for multi-material shock propagation in the AI/ML community, we present the High-Explosives and Affected Targets (HEAT) Dataset. HEAT is a physics-rich collection of two-dimensional, cylindrically symmetric, simulations generated using an Eulerian, multi-material, shock-propagation code developed at Los Alamos National Laboratory. The dataset includes two partitions: (1) the expanding shock-cylinder (CYL) simulations, Figs. 1, and (2) the Perturbed Layered Interface (PLI) simulations, Fig. 2. Entries in both partitions consist of time series of arrays of thermodynamic fields (pressure, density, and temperature), kinematic fields (position and velocity), and additional fields that depend on thermodynamic and/or kinematic fields (e.g., material stress). Materials in the CYL partition include solids (aluminium, copper, depleted uranium, stainless steel, tantalum, and a generic polymer), a liquid (water), gases (air, nitrogen), and a generic detonating material (high explosive, HE). The PLI partition spans a highly varying geometry but consists of fixed materials across entries: Copper, aluminium, stainless steel, generic polymer, and generic HE. HEAT captures critical phenomena such as momentum transfer, shock propagation, plastic deformation, and thermal effects, making HEAT a valuable benchmark for development of AI/ML emulation of multi-material shock propagation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

AWSD Reactive Burn Model for High Explosive LX‐14

ABSTRACT The results of an Arrhenius–Wescott–Stewart–Davis (AWSD) reactive flow calibration for the HMX‐based high explosive LX‐14 are presented. The parameters in the AWSD model are calibrated to experimental thermodynamic and gas gun data and to computational results from thermochemical calculations. There is no experimental rate stick data available for LX‐14; therefore, scaled experimental results from other PBX‐based high explosives are used in the calibration to fill this gap in data. Strong agreement is observed between the calibrated AWSD model and experimental data for LX‐14, including validation data that were not used in the calibration procedure. The developed model more accurately describes experimental shock‐to‐detonation results compared to several other reactive flow models for LX‐14 from the literature. The presented results illustrate that the AWSD model is capable of quantitatively describing the reactive burn of LX‐14.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2015

Modeling Hot-Spot Contributions in Shocked High Explosives at the Mesoscale

When looking at performance of high explosives, the defects within the explosive become very important. Plastic bonded explosives, or PBXs, contain voids of air and bonder between the particles of explosive material that aid in the ignition of the explosive. These voids collapse in high pressure shock conditions, which leads to the formation of hot spots. Hot spots are localized high temperature and high pressure regions that cause significant changes in the way the explosive material detonates. Previously hot spots have been overlooked with modeling, but now scientists are realizing their importance and new modeling systems that can accurately model hot spots are underway.

42 ENGINEERING↗
DOE OSTI2026

Optimization of an Energy Tuning Assembly for High Explosives Detection

The Portable Isotopic Neutron Spectroscopy (PINS) system, employs neutron-induced gamma-ray spectroscopy and provides a nondestructive method for high explosives detection. In standard operation it uses Californium-252 as a neutron source. Operating PINS with a deuterium-tritium (DT) neutron generator has some advantages over Cf-252, including lifetime and ability to produce high-energy inelastic scattering gamma rays. However, current systems using DT neutron generators suffer from a high environmental background and reduced ability to induce neutron capture, reducing spectral quality and limiting nitrogen sensitivity. Here, this study presents the development of an energy-tuning assembly (ETA) designed to optimize the DT neutron energy spectrum to increase nitrogen reaction rates in a target, thereby improving high explosive detection capabilities. A metaheuristic optimization framework, MultiGNOWEE, coupled with MCNP, was employed to generate two ETA configurations: a single-objective ETA, which maximizes nitrogen capture reactions, and a multi-objective ETA, which balances neutron capture and inelastic scattering. Simulations demonstrated the optimized configurations achieved up to a 10-fold improvement in nitrogen capture rates compared to the bare configuration. Experimental validation was conducted using a DT neutron generator and a high-purity germanium (HPGe) detector. Two prototype ETAs were constructed and assessed on a melamine simulant. Measurements demonstrated improved nitrogen detection for both prototype ETA configurations when compared to the standard system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Accuracy of High Explosive Data used for Reactive Burn Model Calibration

Reactive burn models for a high explosive (HE) have three components: an equation of state (EOS) for the products, an EOS for the reactants and a reaction rate. For the products, we discuss the uncertainty in data for the planar detonation state and its release isentrope. For the reactants, the uncertainty in the principal shock locus data is discussed. For the reaction rate, we discuss uncertainties in shock initiation data (distance-of-run to detonation as a function of shock pressure), and curvature effect data (detonation speed as a function of front curvature). An important source of uncertainty for calibrating the reaction rate for a plastic-bonded explosive (PBX) results from variations in heterogeneities; that is the mesoscale structure of HE grains, binder and porosity. This shows up in the scatter of both shock initiation data and curvature effect data with small changes in initial density and initial temperature, and systematic changes with PBX lot. As illustrative examples, we use data for the conventional HMX based PBX 9501 and the insensitive TATB based PBX 9502 since these explosives have been extensively studied and high quality data are readily available in the literature.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Spray Drying of High Explosives [Slides]

Presentation Outline 1. What is spray drying? 2. How can spray drying be utilized for high explosives processing? 3. Literature overview. 4. Examples of current spray drying research done in Q-5. 5. Future plans and outlook for spray drying high explosives.

42 ENGINEERING↗
DOE OSTI2025

Scale Invariance of Hot Spot Formation in TATB High Explosives

Shock-induced detonation of insensitive high explosives based on 1,3,5-triamino-2,4,6-trinitrobenzene starts with formation of hot spots at microstructural defects but has eluded atomistic modeling treatment at micron length scales. To this end, we performed multimicron scale all-atom molecular dynamics (MD) simulations of hot spots that form during the collapse of cylindrical pores with diameters between 10 and 300 nm. Our MD simulations show that hot spots formed at pores larger than 20 nm exhibit temperature fields with scale-invariant features for sizes up to at least 300 nm. Through a continuum-based grain-scale modeling framework, we span and extend beyond the size scales currently accessible to MD and find that hot spot scale invariance is a general feature that arises when the mechanical strength is insensitive to strain rate. Finally, our results demonstrate the applicability of all-atom MD to simulate the complicated dynamical evolution of micron-sized systems and bolster confidence in insights from MD simulations of materials that exhibit strength with negligible rate dependence over the relevant intervals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High Explosives and Energetics Asset Analysis Tool

The High Explosives and Energetics (HE&E) Asset Analysis Tool is a database and reference for LANL facilities, equipment, staffing and financial information pertinent to the HE&E program. The tool is used for the communication of the current state and investment planning for the program assets. Additional analyses can offer more insights into the dependencies and impacts of the assets within the HE&E portfolio. This tool is developed under collaboration with the HE&E Program Office.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Deciphering decomposition pathways of high explosives with cryogenic X-ray Raman spectroscopy

We employed cryogenic X-ray Raman spectroscopy to investigate the early-stage decomposition of the high explosive molecule hexanitrohexaazaisowurtzitane (CL-20). By systematically varying the radiation dose under cryogenic conditions, we induced the decomposition of the molecule using ionizing radiation and observed the evolution of spectral features at the carbon, nitrogen, and oxygen K edges. Through extensive first-principles calculations, we identified key intermediates in the early stages of the decomposition process, resulting from C–C and C–N bond cleavage which leads to the opening of the internal cage structure. A detailed analysis of spectral trends and fingerprints provided evidence supporting N–NO 2 homolytic cleavage as the primary initial decomposition pathway. The combination of advanced core-level spectroscopy methods and state-of-the-art theoretical calculations enabled a comprehensive characterization of the molecular changes induced by controlled radiation dose exposures. In conclusion, our findings establish a benchmark for understanding the decomposition chemistry of high-explosive materials, offering important insights into their stability and reactivity under extreme conditions.

X-ray Raman spectroscopy↗
DOE OSTI2019

On the Direct Construction of the Steady Traveling Solution to High Explosive Sandwich, Cylinder and Aquarium Tests via a Streamline Finite Volume Approximation

The cylinder, sandwich and aquarium tests are routine experiments used to investigate the performance of high explosives. Here, we present a solution technique which simulates these experiments as two dimensional problems in steady traveling coordinates. Using a coordinate system aligned with the streamlines of the flow, an efficient numerical scheme is developed which uses an approximate Riemann solver to model the change in state across streamlines. The technique can also accommodate arbitrary equations of state for the materials. Two verification exercises show that the algorithm converges at second order. Validation studies using the aquarium experiment agreed well with simulations, though the omission of a material strength model leads to some discrepancies between simulation and experiments for the cylinder test. This computational technique is able to predict the behavior of these common high explosive experiments on the order of minutes on a single processor with very fine spatial resolution, on the order of 10 μm.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Avian community composition in response to high explosive testing operations at Los Alamos National Laboratory in Northern New Mexico

Breeding bird abundance, species richness, evenness, diversity, composition, productivity, and survivorship were determined near a high-explosive detonation site at Los Alamos National Laboratory, New Mexico, USA, during pre-operation (1997-1999) and operation (2000-2014) periods. The operation periods consisted of detonations (<23 kg in yield and <3 per breeding season) in open air (2000-2002), within foam containment (2003-2006) and within steel vessel containment (2007-2014) systems; the latter two were employed to reduce noise and dispersal of high-explosives residues. A total of 2952 bird captures, representing 80 species, was recorded during 18 years of mist net operations using the Monitoring Avian Productivity and Survivorship protocol. Individuals captured were identified to species, aged, sexed, and banded during May through August of each year. There were no significant differences (p > 0.05) in mean avian abundance and species evenness in any of the operation periods as compared with the pre-operation period. Species richness and diversity were significantly higher (p < 0.05) during the vessel containment period (2007-2014) than the pre-operation period. The time period of this study coincided with a wildfire (2000), a bark beetle infestation (2002), and two periods of drought (Nov 1999-Mar 2004 and Dec 2005-Dec 2014) that affected the study area. Furthermore, analysis of aerial photos determined that the average percent canopy cover of mature ponderosa pines (Pinus ponderosa) within 100 feet of mist net sites declined from 12% to 3% between 1991 and 2014 and the percent cover of shrubs slightly increased.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Analysis of xRAGE and flag high explosive burn models with PBX 9404 cylinder tests

High explosives are energetic materials that release their chemical energy in a short interval of time. They are able to generate extreme heat and pressure by a shock driven chemical decomposition reaction, which makes them valuable tools that must be understood. This study investigated the accuracy and performance of two Los Alamos National Laboratory hydrodynamic codes, which are used to determine the behavior of explosives within a variety of systems: xRAGE which utilizes an Eulerian mesh, and FLAG with utilizes a Lagrangian mesh. Various programmed and reactive burn models within both codes were tested using a copper cylinder expansion test. The test was based on a recent experimental setup which contained the plastic bonded explosive PBX 9404. Detonation velocity versus time curves for this explosive were obtained using Photon Doppler Velocimetry (PDV). The modeled results from each of the burn models tested were then compared to one another and to the experimental results. This study validate

36 MATERIALS SCIENCE↗
DOE OSTI2010

Performance evaluation of diaminoazoxyfurazan (DAAF) as a booster material for insensitive high explosives using the onionskin test

Initiation of insensitive high explosive (IHE) formulations requires the use of a booster explosive in the initiation train. Booster material selection is crucial, as the initiation must reliably function across some spectrum of physical parameters. The interest in DAAF for this application stems from the fact that it possesses many traits of an IHE but is shock sensitive enough to serve as an explosive booster. A hemispherical wave breakout test, termed the onionskin test, is one of the methods used to evaluate the performance of a booster material. The wave breakout time-position history at the surface of a hemisphericallHE charge is recorded and the relative uniformity of the breakout can be quantitatively compared between booster materials. A series of onionskin tests were performed to investigate breakout and propagation diaminoazoxyfurazan (DAAF) at low temperatures to evaluate ignition and detonation spreading in comparison to other explosives commonly used in booster applications. Some wave perturbation was observed with the DAAF booster in the onionskin tests presented. The results of these tests will be presented and discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Near-optimal combination of high performance and insensitivity in a shock compressed high explosive single crystal

Achieving the desired combination of superior detonation performance and insensitivity to shock initiation has been a long-standing goal in high explosive (HE) science and technology. Having previously established the shock insensitivity of 1,1-diamino-2,2-dinitroethene (also known as DADNE or FOX-7) single crystals to 20 GPa (extended to 25 GPa in this work), the FOX-7 detonation response was determined through wave profile measurements in ~250 μm thick single crystals shock compressed to 64 GPa. Quite unexpectedly, FOX-7 demonstrated the classic Chapman–Jouguet (C–J) detonation response—reaction completion in the detonation front (<0.7 ns) at pressures of 44 GPa and higher—not observed in other insensitive high explosives. Here, the experimentally determined C–J pressure (35 GPa), detonation wave velocities and the detonation products equation of state—together with shock insensitivity to 25 GPa—demonstrate that FOX-7 single crystals display a near-optimal combination of high performance and shock insensitivity, not observed in another HE crystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Novel method to control explosive shock sensitivity: A mesoscale study to understand the effect of thermally expandable microsphere (TEM) inclusions in high explosives (HE) microstructure

When the void content and/or void structure of a high explosive (HE) is altered by some means (i.e., bulk heating or mechanical damage), the shock initiation behavior of the material changes. The ability to precisely predict the change in shock sensitivity after an HE has undergone microstructural changes is a crucial capability in multi-scale reactive flow models. Here, we utilize thermally expandable microspheres (TEMs) as a dopant in a polymer bonded explosive (PBX) matrix to alter the shock initiation properties in a controlled fashion. Here, using a mesoscale modeling approach, we evaluated how a single TEM (before and after thermal expansion) behaves under shock compression, as well as how the matrix PBX in the direct vicinity of the TEM is affected. We first examined the effect of an unexpanded TEM in the explosive matrix and found that its presence does not significantly perturb the bulk flow and by extension will not affect bulk sensitivity. Next, we examined the effect of an expanded TEM and found that its presence significantly perturbs the flow via hydrodynamic jetting, which causes a secondary shock wave with a strength that exceeds that of the incident wave. Finally, we showed that this secondary shock interacts with the downstream porosity to ignite a larger fraction of the overall pore volume, commensurate with the secondary shock strength and the affected volume, increasing the global (bulk) shock sensitivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Hydrodynamic Modeling of Air Blast Propagation from the Humble Redwood Chemical High Explosive Detonations Using GEODYN

Two-dimensional axisymmetric hydrodynamic models were developed using GEODYN to simulate the propagation of air blasts resulting from a series of high explosive detonations conducted at Kirtland Air Force Base in August and September of 2007. Dubbed Humble Redwood I (HR-1), these near-surface chemical high explosive detonations consisted of seven shots of varying height or depth of burst. Each shot was simulated numerically using GEODYN. An adaptive mesh refinement scheme based on air pressure gradients was employed such that the mesh refinement tracked the advancing shock front where sharp discontinuities existed in the state variables, but allowed the mesh to sufficiently relax behind the shock front for runtime efficiency. Comparisons of overpressure, sound speed, and positive phase impulse from the GEODYN simulations were made to the recorded data taken from each HR-1 shot. Where the detonations occurred above ground or were shallowly buried (no deeper than 1 m), the GEODYN model was able to simulate the sound speeds, peak overpressures, and positive phase impulses to within approximately 1%, 23%, and 6%, respectively, of the actual recorded data, supporting the use of numerical simulation of the air blast as a forensic tool in determining the yield of an otherwise unknown explosion.

42 ENGINEERING↗
DOE OSTI2010

Abiotic transformation of high explosives by freshly precipitated iron minerals in aqueous Fe¹¹ solutions

Zerovalent iron barriers have become a viable treatment for field-scale cleanup of various ground water contaminants. While contact with the iron surface is important for contaminant destruction, the interstitial pore water within and near the iron barrier will be laden with aqueous, adsorbed and precipitated FeII phases. These freshly precipitated iron minerals could play an important role in transforming high explosives (HE). Our objective was to determine the transformation of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and TNT (2,4,6-trinitrotoluene) by freshly precipitated iron FeII/FeIII minerals. This was accomplished by quantifying the effects of initial FeII concentration, pH, and the presence of aquifer solids (FeIII phases) on HE transformation rates. Results showed that at pH 8.2, freshly precipitated iron minerals transformed RDX, HMX, and TNT with reaction rates increasing with increasing FeII concentrations. RDX and HMX transformations in these solutions also increased with increasing pH (5.8-8.55). By contrast, TNT transformation was not influenced by pH (6.85-8.55) except at pH values <6.35. Transformations observed via LC/MS included a variety of nitroso products (RDX, HMX) and amino degradation products (TNT). XRD analysis identified green rust and magnetite as the dominant iron solid phases that precipitated from the aqueous FeII during HE treatment under anaerobic conditions. Geochemical modeling also predicted FeII activity would likely be controlled by green rust and magnetite. These results illustrate the important role freshly precipitated FeII/FeIII minerals in aqueous FeII solutions play in the transformation of high explosives.

54 ENVIRONMENTAL SCIENCES↗