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DOE OSTI2023

Evolution of Two-Phase High Explosive Reactive Flow [Slides]

Reactive hydrodynamics involve rapid conversion of reactants to products along a detonation wave and needs a closure rule: P-T equilibrium. To calculate P-T equilibrium, we use a root finding method, which can be a computational bottleneck. We evolve the guess for the root finder rather than using the previous value to reduce iterations. Evolving products volume fraction Φ p for an initial root finding guess does reduce root finding iterations and seems to give the best results immediately following a detonation wave (reducing root finding iterations from 5 to 2).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗

NASA NTRS2004

A Resonant Pulse Detonation Actuator for High-Speed Boundary Layer Separation Control

A variety of different types of actuators have been previously investigated as flow control devices. Potential applications include the control of boundary layer separation in external flows, as well as jet engine inlet and diffuser flow control. The operating principles for such devices are typically based on either mechanical deflection of control surfaces (which include MEMS flap devices), mass injection (which includes combustion driven jet actuators), or through the use of synthetic jets (diaphragm devices which produce a pulsating jet with no net mass flow). This paper introduces some of the initial flow visualization work related to the development of a relatively new type of combustion-driven jet actuator that has been proposed based on a pulse detonation principle. The device is designed to utilize localized detonation of a premixed fuel (Hydrogen)-air mixture to periodically inject a jet of gas transversely into the primary flow. Initial testing with airflow successfully demonstrated resonant conditions within the range of acoustic frequencies expected for the design. Schlieren visualization of the pulsating air jet structure revealed axially symmetric vortex flow, along with the formation of shocks. Flow visualization of the first successful sustained oscillation condition is also demonstrated for one configuration of the current test section. Future testing will explore in more detail the onset of resonant combustion and the approach to conditions of sustained resonant detonation.

Beck, B. T.↗

NASA NTRS2001

Multi-Level Analysis of Pulsed Detonation Engines

The present study explores some issues concerning the operational performance of pulsed detonation engines. Zero-, one- and two-dimensional, transient models are employed in a synergistic manner to elucidate the various characteristics that can be expected from each level of analysis. The zero-dimensional model provides rapid parametric trends that help to identify the global characteristics of pulsed detonation engines. The one-dimensional model adds key wave propagation issues that are omitted in the zero-dimensional model and helps to assess its limitations. Finally, the two-dimensional model allows estimates of the first-order multi-dimensional effects and provides an initial multi-dimensional end-correction for the one-dimensional model. The zero-dimensional results indicate that the pulsed detonation engine is competitive with a rocket engine when exhausting to vacuum conditions. At finite back pressures, the PDE out-performs the rocket if the combustion pressure rise from the detonation is added to the chamber pressure in the rocket. If the two peak pressures are the same, the rocket performance is higher. Two-dimensional corrections added to the one-dimensional model result in a modest improvement in predicted specific impulse over the constant pressure boundary condition.

Ebrahimi, Houshang B.↗

DOE OSTI2023

Modification of Richtmyer–Meshkov instabilities via layered explosive charge design

In this numerical study, we investigate the effects of layered high explosive (HE) charge design on Richtmyer–Meshkov instability (RMI) in metal plates with sinusoidal surface features. The detonation wave from the HE induces a shock in the metal target that subsequently interacts with the surface features; this results in vortex formation and ultimately RMI. Here, we seek to modify RMI by altering the detonation wave characteristics. The modification is investigated in a twofold manner: first, by varying the initial design of the unconfined surface of the target and second, by varying the charge design and composition. Within a limited scope of this design space, a wide variety of behaviors related to RMI growth are observed. Mechanistic actions, including exaggerated front curvature, behind these modifications are proposed. Charge designs, which modify RMI the most for a select target design, are then presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2021

2020 Results for Avian Monitoring at the Technical Area 36 Minie Site, Technical Area 39 Point 6, and Technical Area 16 Burn Ground at Los Alamos National Laboratory

Los Alamos National Laboratory (LANL) biologists in the Environmental Protection and Compliance Division initiated a multi-year program in 2013 to monitor avifauna (birds) at two open detonation sites and one open burn site on LANL property. In this annual report we compare monitoring results from these efforts among years to monitor trends. The objectives of this study are to 1) determine whether LANL operations impact bird species richness, diversity, or abundance and 2) examine occupancy and nest success of secondary-cavity nesting birds using nestboxes. LANL biologists completed the eighth year of this effort in 2020

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

2023 Results for Avian Monitoring at the Technical Area 36 Minie Site, Technical Area 39 Point 6, Technical Area 16 Burn Ground, and DARHT at Los Alamos National Laboratory

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

2024 Results for Avian Monitoring at the Technical Area 36 Minie Site, Technical Area 39 Point 6, Technical Area 16 Burn Ground, and DARHT at Los Alamos National Laboratory

Los Alamos National Laboratory (LANL) biological subject matter experts in the Environmental Protection and Compliance Division initiated a multi-year program in 2013 to monitor avifauna (birds) at two open detonation sites and one open burn site on LANL property. Additional monitoring began in 2017 at a third firing site, the Dual-Axis Radiographic Hydrodynamic Test (DARHT) Facility. In this annual report, we compare monitoring results from these efforts among years to identify and evaluate firing and open burn site impacts on the local bird community. The objectives of this study are • to determine whether LANL operations impact bird abundance, species richness, or diversity; • to examine occupancy and nest success of secondary-cavity nesting birds that use nest boxes; and • to examine chemical concentrations (such as radionuclides, inorganic elements, and/or organic compounds) in nonviable eggs and deceased nestlings that are collected opportunistically with the upper-level bounds of background concentrations, when available. During May through July 2024, LANL biologists completed multiple avian point count surveys at each of the following treatment sites: • Technical Area (TA) 36 Minie Site, • TA-39 Point 6, • TA-16 Burn Ground, and • DARHT. We recorded a total of 1,088 birds that represented 65 species at the four treatment sites and compared these results with data from their associated control sites. In 2024, abundance and species richness at treatment and control sites continued to trend similarly from year to year, with minor random deviations expected from bird communities. Species richness at firing sites differed little from the previous year’s values. Two new bird species were observed at the firing sites—cedar waxwing (Bombycilla cedrorum) and pinyon jay (Gymnorhinus cyanocephalus). Shannon diversity values at TA-36 Minie Site, TA-39, and DARHT were statistically higher than one or more of their associated controls. Annual species diversity at treatment sites was high in 2024 across all firing sites relative to similar habitat control sites. We also monitored avian nest boxes to compare occupancy and nest success data from nest boxes at treatment sites with the overall avian nest box monitoring network and against a subset of relevant control sites. Nest box success has decreased at both treatment and control sites since monitoring began, suggesting that overlapping climatic factors are responsible for patterns of declining nest success. In 2024, nonviable avian eggs and one nestling were opportunistically collected at Bandelier National Monument, TA-16 Burn Ground, TA-36 Minie, TA-39 Point 6, and DARHT. All egg samples and the one nestling sample were evaluated for per- and polyfluoroalkyl substances, which were detected from all locations, including the control site at Bandelier National Monument. Overall results from 2024 continue to suggest that operations at the four treatment sites are not negatively impacting bird populations. This long-term project will continue to monitor for any changes over time.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1994

Unique passive diagnostic for slapper detonators

The objective of this study was to find a material and configuration that could reliably detect the proper functioning of a slapper (non-explosive) detonator. Because of the small size of the slapper geometry (on the order of a 15 mils), most diagnostic techniques are not suitable. This program has the additional requirements that the device would be used on centrifuge so that it could not use any electrical power or output signals. This required that the diagnostic be completely passive. The paper describes the three facets of the development effort: complete characterization of the slapper using VISAR measurements, selection of the diagnostic material and configuration, and testing of the prototype designs. The VISAR testing required that use of a special optical probe to allow the laser light to reach both bridges of the dual-slapper detonator. Results are given in the form of flyer velocity as a function of the initiating charge voltage level. The selected diagnostic design functions in a manner similar to a dent block except that the impact of the Kapton disk from a properly-functioning slapper causes a fracture pattern. A quick visual inspection is all that is needed to determine if the flyer velocity exceeded the threshold value. Sub-threshold velocities produce a substantially different appearance.

Brigham, William P.↗

DOE OSTI2026

Deflagration to Detonation Transition Update: XDDT Code Modularization

A legacy FORTRAN 77 implementation of the Baer–Nunziato two-phase mixture theory for deflagration-to-detonation transition (DDT) in reactive granular materials—hereafter the XDDT (eXplosive DDT) code—has been modularized to Fortran 90 with modular structure, external input files, and adaptive mesh capability. During validation, two code defects were identified and corrected: an inconsistency in the nodal solid pressure evaluation and a nonphysical burn-front tracking criterion. The ignition criterion was also corrected to use the granular surface temperature from the interface heat transfer model, matching the original Baer implementation. An initial attempt to validate against Figure 3 of the original Baer and Nunziato (1986) paper revealed that the code’s detonation velocity on a 201-node mesh (5.5 km/s) was approximately 21% below the expected Chapman–Jouguet value for 70% TMD HMX (∼7 km/s). Validation was redirected to the piston-driven DDT experiments of McAfee et al. (1989), Shot B-9036, for which well-characterized ionization-pin data are available. With the compaction-burn coefficient calibrated to 𝐶 𝛼 = 75, the XDDT code reproduces the DDT transition time to within 0.4% and produces a steady-state detonation velocity within 4% of the McAfee experimental value of 6.36 km/s. The burn model was generalized to support pressure-dependent exponents, enabling application to nitrocellulose-based ball propellants (TS3659) with a cube-root pressure dependence. Validation against the Sandusky/Baer PDC82 piston-impact experiment yielded a reactive wave velocity of 2.3–2.8 km/s, in good agreement with the experimental value of ∼2.2 km/s, and wave coalescence within 5% of the experimental timing. The mathematical model, input parameter requirements, and a roadmap for extending XDDT to PETN with an autocatalytic burn model are presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2026

A GPU-based compressible combustion solver for applications exhibiting disparate space and time scales

High-speed chemically active flows pose significant computational challenges due to their disparate space and time scales, with stiff chemistry often dominating simulation time. While modern scientific computing programs achieve exascale performance by leveraging graphics processing units (GPUs), existing GPU-based compressible combustion solvers face critical limitations in memory management, load balancing, and handling the highly localized nature of chemical reactions. To this end, we present a high-performance compressible reacting flow solver built on the AMReX framework and optimized for multi-GPU settings. Here, our approach addresses three GPU performance bottlenecks: memory access patterns through column-major storage optimization, computational workload variability via a bulk-sparse integration strategy for chemical kinetics, and multi-GPU load distribution for adaptive mesh refinement applications. The solver adapts existing matrix-based chemical kinetics formulations to multi-grid contexts. Using representative combustion applications, including 2D and 3D detonations and a 3D jet-in-crossflow configuration, we demonstrate 1.4–5× performance improvements over initial implementations on an in-house cluster of NVIDIA H100 GPUs, and near-ideal weak scaling on the Frontier supercomputer (Oak Ridge Leadership Computing Facility) with up to 1024 AMD Instinct MI250X GPUs. Roofline analysis reveals substantial improvements in arithmetic intensity for both convection (∼ 10 ×) and chemistry (∼ 4 ×) routines, confirming efficient utilization of GPU memory bandwidth and computational resources.

42 ENGINEERING↗

DOE OSTI2024

Seal Strength Calculations for Low Mass DDT Vessel

Lawrence Livermore National Laboratory (LLNL) is collaborating with Colorado School of Mines (Mines), to field the first dynamic experiments on the 3-ring flash radiography system (3-ring). One set of experiments for 3-ring concerns the deflagration to detonation transition (DDT), within a sealed column of high-explosives. The high-explosive material is ignited at one end with a BK-80, an igniter made from Boron Potassium-Nitrate (BKNO 3 ). The initial deflagration reaction will increase the pressure in the sealed vessel, resulting in the formation of a dense "plug" of material ahead of the deflagration front. The transition to detonation is thought to be related to the plug formation. Previous experiments have been able to resolve the plug geometry, but only in a two dimensional radio-graph. 3-ring offers a novel diagnostic tool which could provide three dimensional density fields via few-view reconstruction algorithms and computed tomography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Detonation performance experiments and modeling for the DAAF-based high explosive PBX 9701

Detonation performance experiments and modeling are reported for the explosive PBX 9701, which is composed of 97% 3,3$\acute{-}$diamino-4,4$\acute{-}$azoxyfurazan (DAAF) and 3% vinylidene uoride-chlorotriuoroethylene copolymer (Kel-F 800) binder by weight. PBX 9701 is a newly-developed reducedsensitivity explosive with increased performance relative to the triaminotrinitrobenzene or TATB-based PBX 9502 while still retaining low sensitivity to mechanical insult. The first detonation performance measurements for this formulation are presented, including front-curvature ratesticks and cylinder expansion test data. Prior shock initiation data is also reviewed. These data are used to develop programmed burn and reactive flow calibrations for existing commonly-used performance models which allow engineering calculations with PBX 9701. The calibration process involves several enhancements relative to conventional approaches including the use of an analytical scaling correlation to speed the calibration process and development of a new methodology to improve the consistency between the programmed burn and reactive model calibration process and the resulting calculations. Overall, PBX 9701 is seen to exhibit improved performance relative to insensitive explosives, with a trinitrotoluene (TNT) equivalence of 1.24. The detonation performance properties are found to be well captured by existing models.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2023

Dirty bomb source term characterization and downwind dispersion: Review of experimental evidence

Dirty bombs are considered one of the easiest forms of radiological terrorism, a form of terrorism based on the deliberate use of radiological material to cause adverse effects in a target population. One U.S. Government official has even described a dirty bomb attack as “all but inevitable”. While people in the vicinity of the blast may experience acute radiation effects, people downwind may unknowingly be contaminated by the radioactive airborne particulate and face increased long-term cancer risk. The likelihood of increased cancer risk depends on the radionuclide used and its specific activity, its aerosolization potential, the particle sizes generated in the blast, and where a person is with respect to the detonation. Different studies have reported that plausible radionuclides for dirty bomb include 60 Co, 90 Sr, 137 Cs, 192 Ir, 241 Am based on their availability in commercial sources as well as safeguards, the amount needed for adverse health effects, previous mishandling of radionuclides and malicious uses. In order to have increased long-term cancer risk, the radionuclide would have to deposit inside the body by entering the respiratory tract and then possibly migrate to other organs or bones (ground shine is not considered in this paper because areas affected by the event will likely become inaccessible). This implies that the particles will have to be smaller than 10 μm to be inhaled. Experiments involving the detonation of dirty bombs have shown that particles or droplets smaller than 10 μm are generated, independently from the initial radionuclide or its state (e.g., powder, solution). Atmospheric tests have shown that in unobstructed terrain, the radionuclide laden cloud can travel kilometers downwind even for relatively small amounts of explosives. Furthermore, buildings in the path of the cloud can change the dose rate. For instance, in one experiment with a single building, the dose rate was 1–2 orders of magnitude lower behind the obstacle compared to its front face. For people walking around, the amount of particulate deposited on them and inhaled will depend on their path relative to the cloud, resulting in the counterintuitive result that the closer people may actually not be the ones more at risk because they could simply miss the bulk of the cloud in their wandering. In summary, the long-term cancer risk for people caught in a dirty bomb cloud away from the detonation requires considering where and when the people are, which radionuclide was used, and the layout of the obstacles (e.g., buildings, vegetation) in the path of the cloud.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

NASA NTRS1981

Accreting white dwarf models for type 1 supernovae. 1: Presupernova evolution and triggering mechanisms

As a plausible explosion model for a Type I supernova, the evolution of carbon-oxygen white dwarfs accreting helium in binary systems was investigated from the onset of accretion up to the point at which a thermonuclear explosion occurs. The relationship between the conditions in the binary system and the triggering mechanism for the supernova explosion is discussed, especially for the cases with relatively slow accretion rate. It is found that the growth of a helium zone on the carbon-oxygen core leads to a supernova explosion which is triggered either by the off-center helium detonation for slow and intermediate accretion rates or by the carbon deflagration for slow and rapid accretion rates. Both helium detonation and carbon deflagration are possible for the case of slow accretion, since in this case the initial mass of the white dwarf is an important parameter for determining the mode of ignition. Finally, various modes of building up the helium zone on the white dwarf, namely, direct transfer of helium from the companion star and the various types and strength of the hydrogen shell flashes are discussed in some detail.

Nomoto, K.↗

NASA NTRS1993

Development and testing of hermetic, laser-ignited pyrotechnic and explosive components

During the last decade there has been increasing interest in the use of lasers in place of electrical systems to ignite various pyrotechnic and explosive materials. The principal driving force for this work was the requirement for safer energetic components which would be insensitive to electrostatic and electromagnetic radiation. In the last few years this research has accelerated since the basic concepts have proven viable. At the present time it is appropriate to shift the research emphasis in laser initiation from the scientific arena--whether it can be done--to the engineering realm--how it can be put into actual practice in the field. Laser initiation research and development at EG&G Mound was in three principal areas: (1) laser/energetic material interactions; (2) development of novel processing techniques for fabricating hermetic (helium leak rate of less than 1 x 10(exp -8) cu cm/s) laser components; and (3) evaluation and testing of laser-ignited components. Research in these three areas has resulted in the development of high quality, hermetic, laser initiated components. Examples are presented which demonstrate the practicality of fabricating hermetic, laser initiated explosive or pyrotechnic components that can be used in the next generation of ignitors, actuators, and detonators.

Kramer, Daniel P.↗

NASA NTRSDate not supplied

High Performance Rotating Detonation Rocket Engine for Mars Interplanetary Transport

NASA has successfully evaluated the performances and survivability of two additively manufactured (AM) continuously rotating detonation cycle rocket engine (RDRE) thrust chambers. The AM hardware was subjected to long duration continuous detonative environments in excess of 100 seconds. Performance trends were directly compared to theory and similar scale constant pressure engines with identical propellants. The performance benefits of RDREs include higher combustion efficiency at a more compact design trade space, which allow advantages for future NASA missions. A major finding of this work is that the heat fluxes experienced are substantially higher than traditional liquid rocket engines at the same operating conditions. In addition, completion of combustion occurs rapidly in an annular geometry at ¼ that of the L* and L’ of an equivalent state-of-the-art thrust chamber. Finally, all hardware survived the extreme environments and achieved the major goal of the test project by demonstrating hot fire conditions with detonation modes up to 133 seconds in duration. Follow-on efforts funded by STMD Early Career Initiative (ECI) award are now focused on achieving higher performances than the previous designs and closing the remaining technology risks.

Thomas Teasley↗

DOE OSTI2025

Stability and convergence of nuclear detonations in white dwarf collisions

We investigate the numerical stability of thermonuclear detonations in 1D accelerated reactive shocks and 2D binary collisions of equal-mass magnetized and unmagnetized white dwarf stars. To achieve high resolution at initiation sites, we devised geometric gridding and mesh velocity strategies specially adapted to the unique requirements of head-on collisional geometries, scenarios in which one expects maximum production of iron-group products. We study the effects of grid resolution and the limiting of temperature, energy, and reactants for different stellar masses, separations, magnetic fields, inigenerationtial compositions, detonation mechanisms, and limiter parameters across a range of cell sizes from 1 to 100 km. Our results set bounds on the parameter space of limiter amplitudes for which both temperature- and energy-limiting procedures yield consistent and monotonically convergent solutions. Within these bounds, we find that grid resolutions of 5 km or better are necessary for uncertainties in total released energy and iron-group products to drop below 10%. Intermediate-mass products (e.g., calcium) exhibit similar convergence trends but with somewhat greater uncertainty. These conclusions apply equally to pure C/O white dwarfs, multispecies compositions (including helium shells), magnetized and unmagnetized cores, and either single or multiple detonation scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗