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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Direct reactions for astrophysical p-capture rates with ORRUBA and GODDESS

Understanding the nucleosynthesis and energy generation in quiescent and explosive stellar burning requires a detailed understanding of reaction rates on many unstable nuclides. Such reaction rates are often governed by the properties of low-lying, isolated proton resonances. Though direct measurements of resonance strengths are ultimately desired, and are a focus of rare isotope beam facilities worldwide, such tour-de-force experiments must be guided by indirect techniques, in order to know resonance energies, J π assignments, and estimated widths, to inform targeted measurements. Furthermore, some important low-lying resonances may be too weak for direct measurements with radioactive beams, and indirect techniques provide the only practical constraints. Additionally, there has been growing interest in the astrophysical role of isomeric states, which can influence the reaction flow in nucleosynthetic reaction networks, and hence impact the quantitative interpretation of astronomical observables, such as γ-ray signatures, and elemental and isotopic ratios. Properties of single-proton resonances can be obtained by exploiting the selectivity of direct reactions, such as single-nucleon transfer and charge-exchange reactions. Constraining proton-capture rates via direct reactions has been a focus of the astrophysics program at ORNL for over two decades, spurring the development of the ORRUBA and GODDESS detector systems. Herein, a review of recent developments in instrumentation and radioactive beam delivery (including isomeric beam experiments) is presented, along with some specific examples of astrophysically interesting sd-shell nuclides, which have been a target of recent ORRUBA and GODDESS experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Type Ia Supernova Nucleosynthesis: Metallicity-dependent Yields

Abstract Type Ia supernova explosions (SN Ia) are fundamental sources of elements for the chemical evolution of galaxies. They efficiently produce intermediate-mass (with Z between 11 and 20) and iron group elements—for example, about 70% of the solar iron is expected to be made by SN Ia. In this work, we calculate complete abundance yields for 39 models of SN Ia explosions, based on three progenitors—a 1.4 M ⊙ deflagration detonation model, a 1.0 M ⊙ double detonation model, and a 0.8 M ⊙ double detonation model—and 13 metallicities, with 22 Ne mass fractions of 0, 1 × 10 −7 , 1 × 10 −6 , 1 × 10 −5 , 1 × 10 −4 , 1 × 10 −3 , 2 × 10 −3 , 5 × 10 −3 , 1 × 10 −2 , 1.4 × 10 −2 , 5 × 10 −2 , and 0.1, respectively. Nucleosynthesis calculations are done using the NuGrid suite of codes, using a consistent nuclear reaction network between the models. Complete tables with yields and production factors are provided online at Zenodo:Yields ( https://doi.org/10.5281/zenodo.8060323 ). We discuss the main properties of our yields in light of the present understanding of SN Ia nucleosynthesis, depending on different progenitor mass and composition. Finally, we compare our results with a number of relevant models from the literature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dependence of Dust Formation on the Supernova Explosion

We investigate the properties, composition, and dynamics of dust formation and growth for a diverse set of core-collapse supernovae (CCSNe), with 15, 20, and 25 M ⊙ progenitor masses, explosion energies ranging from 0.5 to 120 foe, and varied engine type. These explosions are evolved with a 1D Lagrangian hydrodynamics code out to a minimum of 1157 days to model the ejecta as it expands and cools. A multigrain dust nucleation and growth model is applied to these results. We find that higher explosion energies lead to an earlier onset of dust formation, smaller grain sizes, and larger silicate abundances. Further, we see that nuclear burning during the explosion leads to enhanced formation of silicate dust. Finally, we build composite models from our suite to predict the efficiency of CCSN dust production as a function of metallicity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Combustion of Silane-Hydrogen-Nitrous oxide Mixtures: Analysis of Laminar Flame Propagation and Condensed Products

The laminar burning rate, the explosion pressure, and the pressure rise coefficient have been measured for silane-nitrous oxide-argon mixtures using the spherically expanding flame technique in a constant volume combustion chamber. For these three parameters, the values obtained were higher than for hydrogen-nitrous oxide-argon and typical hydrocarbon-based mixtures. As an example, a maximum burning rate of 1800 g/m 2 s was measured at 101 kPa, whereas under similar conditions, a maximum burning rate around 950 g/m 2 s has been reported for hydrogen-nitrous oxide-argon mixtures. Here, the condensed combustion products formed in the silane-nitrous oxide-argon flames were sampled and characterized using electron micrograph, electronic diffraction, energy-dispersive spectroscopy, and X-ray powder diffraction. For all equivalence ratios, silica spherical particles with a mean diameter in the range 200-300 nm were observed. In addition, for mixtures with Φ ≥2.2, silicon nanowires were formed. X-ray diffraction experiments showed that the silicon nanowires are composed of a material referred to as “metal silicon” characterized by a cubic structure (lattice parameter: a = 5.425 Å) with the Fm-3m space group.

42 ENGINEERING↗
DOE OSTI2026

Violent mergers revisited: The origin of the fastest stars in the Galaxy

Binary systems of two carbon-oxygen white dwarfs are one of the most promising candidates for the progenitor systems of Type Ia supernovae. Violent mergers, where the primary white dwarf ignites when the secondary white dwarf smashes into it while being disrupted on its last orbit, were the first double degenerate merger scenario proposed that ignites dynamically. However, violent mergers likely contribute only a few percent to the total Type Ia supernova rate and do not yield normal Type Ia supernova light curves. Here we revisit the scenario, simulating a violent merger with better methods and, in particular, a more accurate treatment of the detonation. We find good agreement with previous simulations but with one critical difference: The secondary white dwarf being disrupted and accelerated towards the primary white dwarf and impacted by its explosion does not fully burn, and its core survives as a bound object. The explosion leaves behind a 0.16 M ⊙ star travelling 2800 km/s, making it an excellent (and so far the only) candidate to explain the origin of the fastest observed hypervelocity stars. We also show that before the explosion, 5 × 10 −3 M ⊙ of material predominantly consisting of helium, carbon, and oxygen had already been ejected at velocities above 1000 km/s. Finally, we argue that if a violent merger made the hypervelocity stars D6-1 and D6-3 and violent mergers require the most massive primary white dwarfs in binaries of two carbon-oxygen white dwarfs, there has to be a much larger population of white dwarf mergers with slightly lower mass primary white dwarfs. Because this population likely represents ≫10% of the Type Ia supernovae rate, it can essentially only give rise to normal Type Ia supernovae.

Astronomy and AstroPhysics↗
DOE OSTI2021

Progenitor and close-in circumstellar medium of type II supernova 2020fqv from high-cadence photometry and ultra-rapid UV spectroscopy

ABSTRACT We present observations of SN 2020fqv, a Virgo-cluster type II core-collapse supernova (CCSN) with a high temporal resolution light curve from the Transiting Exoplanet Survey Satellite (TESS) covering the time of explosion; ultraviolet (UV) spectroscopy from the Hubble Space Telescope (HST) starting 3.3 d post-explosion; ground-based spectroscopic observations starting 1.1 d post-explosion; along with extensive photometric observations. Massive stars have complicated mass-loss histories leading up to their death as CCSNe, creating circumstellar medium (CSM) with which the SNe interact. Observations during the first few days post-explosion can provide important information about the mass-loss rate during the late stages of stellar evolution. Model fits to the quasi-bolometric light curve of SN 2020fqv reveal 0.23 M⊙ of CSM confined within 1450 R⊙ (1014 cm) from its progenitor star. Early spectra (<4 d post-explosion), both from HST and ground-based observatories, show emission features from high-ionization metal species from the outer, optically thin part of this CSM. We find that the CSM is consistent with an eruption caused by the injection of ∼5 × 1046 erg into the stellar envelope ∼300 d pre-explosion, potentially from a nuclear burning instability at the onset of oxygen burning. Light-curve fitting, nebular spectroscopy, and pre-explosion HST imaging consistently point to a red supergiant (RSG) progenitor with $M_{\rm ZAMS}\approx 13.5\!-\!15 \, \mathrm{M}_{\odot }$, typical for SN II progenitor stars. This finding demonstrates that a typical RSG, like the progenitor of SN 2020fqv, has a complicated mass-loss history immediately before core collapse.

Tinyanont, Samaporn (ORCID:0000000214814676)↗
DOE OSTI2023

Synopsis of SURF and SURFplus

Developed by Menikoff and Shaw, the SURF reactive burn model builds on the Ignition and Growth concept by incorporating the lead shock pressure directly into the volumetric hot-spot burn rate. The plus-extension augments the model with a late time surface burn rate due to carbon clustering. Together, SURF and SURFplus allow for robust modeling of both conventional and insensitive high explosives. Practically, the SURF burn models require shock detection and the advection of the lead shock pressure as an additional material field. Calibrated parameters for given equations of state and thermodynamic closure are dependent on initial temperature and density. An implementation in Python is given.

42 ENGINEERING↗
DOE OSTI2019

Modelling the Fluctuations of Reactive Shock Waves in Heterogeneous Solid Explosives as Stochastic Processes

Although current phenomenological burn models are useful for describing the average or bulk reactive flow behaviour of heterogeneous explosives, one fundamental weakness inherent to these models is the loss of detailed microstructural information at the scale of the calculation. In order to include the effects of the microstructure, and in particular the underlying material heterogeneities that influence the build-up to detonation, a new paradigm is put forth for modelling sub-grid, reaction-induced fluctuations (i.e. “hot spots”) at the continuum level. This modelling approach assumes that the reaction rate is stochastic, rather than deterministic, and it uses Langevin-type equations with a mathematical framework built upon Itô calculus and Lambourn's CIM model for shocked heterogeneous explosives. This approach follows directly from our previous letter, Ref. [1], and is inspired by the probability density function (pdf) methods used in turbulent reactive flows. Here, the stochastic burn model is derived, implemented, and exercised far beyond what has been shown in previous work. New hydrocode simulation results demonstrate the role of stochastic fluctuations during shock initiation; these fluctuations are approximated by collections of discrete particles, that evolve with drift (i.e. deterministic) and diffusion (i.e. stochastic) coefficients. Furthermore, the particle values are propagated and averaged to calculate the heat release, yield strength, and material impedance in each computational cell. Hydrocode simulation results further show how the fluctuating hot spot energy may or may not be transmitted to the wave front, and result in a detonation wave-like structure. The fundamental stochastic nature of this model permits simulations to have varying outcomes with the same initial conditions; this allows for go/no-go estimation (e.g., marginal or failed detonations), which might possibly be calibrated using the statistical distributions from real materials. Mesoscale calculations of shocked heterogeneous explosives also show that these fluctuations are physically justified (i.e., Ref. [2]), and it is hypothesized that the pdf functions provide a link between the meso(grain) and continuum scales for practical engineering calculations. Hence, our approach is a paradigm shift for building efficient, reduced order continuum burn models, that represent the sub-grid stochastic behaviour of shocked heterogeneous solid explosives.

42 ENGINEERING↗
DOE OSTI2022

Iraq/Afghanistan war lung injury reflects burn pits exposure

This descriptive case series retrospectively reviewed medical records from thirty-one previously healthy, war-fighting veterans who self-reported exposure to airborne hazards while serving in Iraq and Afghanistan between 2003 and the present. They all noted new-onset dyspnea, which began during deployment or as a military contractor. Twenty-one subjects underwent non-invasive pulmonary diagnostic testing, including maximum expiratory pressure (MEP) and impulse oscillometry (IOS). In addition, five soldiers received a lung biopsy; tissue results were compared to a previously published sample from a soldier in our Iraq Afghanistan War Lung Injury database and others in our database with similar exposures, including burn pits. We also reviewed civilian control samples (5) from the Stony Brook University database. Military personnel were referred to our International Center of Excellence in Deployment Health and Medical Geosciences, Donald and Barbara Zucker School of Medicine at Hofstra/Northwell under the auspices of Northwell IRB: 17-0140-FIMR Feinstein Institution for Medical Research “Clinicopathologic characteristics of Iraq Afghanistan War Lung Injury.” We retrospectively examined medical records, including exposure data, radiologic imaging, and non-invasive pulmonary function testing (MGC Diagnostic Platinum Elite Plethysmograph) using the American Thoracic Society (ATS) standard interpretation based on Morgan et al., and for a limited cohort, biopsy data. Lung tissue, when available, was examined for carbonaceous particles, polycyclic aromatic hydrocarbons (Raman spectroscopy), metals, titanium connected to iron (Brookhaven National Laboratory, National Synchrotron Light Source II, Beamline 5-ID), oxidized metals, combustion temperature, inflammatory cell accumulation and fibrosis, neutrophil extracellular traps, Sirius red, Prussian Blue, as well as polarizable crystals/particulate matter/dust. Among twenty-one previously healthy, deployable soldiers with non-invasive pulmonary diagnostic tests, post-deployment, all had severely decreased MEP values, averaging 42% predicted. These same patients concurrently demonstrated abnormal airways reactance (X5Hz) and peripheral/distal airways resistance (D5–D20%) via IOS, averaging – 1369% and 23% predicted, respectively. These tests support the concept of airways hyperresponsiveness and distal airways narrowing, respectively. Among the five soldiers biopsied, all had constrictive bronchiolitis. We detected the presence of polycyclic aromatic hydrocarbons (PAH)—which are products of incomplete combustion—in the lung tissue of all five warfighters. All also had detectable titanium and iron in the lungs. Metals were all oxidized, supporting the concept of inhaling burned metals. Combustion temperature was consistent with that of burned petrol rather than higher temperatures noted with cigarettes. All were nonsmokers. Neutrophil extracellular traps were reported in two biopsies. Compared to our prior biopsies in our Middle East deployment database, these histopathologic results are similar, since all database biopsies have constrictive bronchiolitis, one has lung fibrosis with titanium bound to iron in fixed mathematical ratios of 1:7 and demonstrated polarizable crystals. These results, particularly constrictive bronchiolitis and polarizable crystals, support the prior data of King et al. (N. Engl. J. Med. 365:222–230, 2011) Soldiers in this cohort deployed to Iraq and Afghanistan since 2003, with exposure to airborne hazards, including sandstorms, burn pits, and improvised explosive devices, are at high risk for developing chronic clinical respiratory problems, including: (1) reduction in respiratory muscle strength; (2) airways hyperresponsiveness; and (3) distal airway narrowing, which may be associated with histopathologic evidence of lung damage, reflecting inhalation of burned particles from burn pits along with particulate matter/dust. Non-invasive pulmonary diagnostic tests are a predictor of burn pit-induced lung injury

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Wormholes Within: A Study of 1, 3, 5–Triamino–2, 4, 6–Trinitrobenzene Crystal Morphology by Micro and Nano–Scale X–Ray Computed Tomography and its Effects Upon the Shock Sensitivity of Detonation

We report that we understand heterogeneous-explosive detonation only to the extent that we can first measure the salient chemical and microstructural features. Barring an inordinate amount of trial and error, we can tailor the detonation properties of our HE formulations only to the extent that we understand (at least qualitatively) the same effects. As an insensitive high explosive, 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) burns more heterogeneously than conventional high explosives, making its detonation properties sensitive to microstructure. The Benziger route can produce various grain morphologies depending on the amount of water used in the amination step. So-called dry-aminated (DA) TATB crystals are riddled with a void structure called wormholes, which are washed out ammonium chloride (NH4Cl) inclusions that form during synthesis. So-called wet-aminated (WA) TATB crystals do not contain NH 4 Cl inclusions but possess a very convoluted external structure. Using both micro and nano-scale CT, we explore three DA-TATB lots that reflect evolutionary processing changes, plus one WA-TATB material. Micro CT imaged crystal collections show the exterior grain structure, revealing its roughness and providing a crude particle size measurement. The DA-TATB lots that test most sensitively in the LANL ECOT corner-turning test are roughest, having the appearance of being “corroded”. Nano-scale CT reveals both internal NH 4 Cl inclusions and void structures. The DA-TATB lots that tested intermediate and high sensitivity in ECOT exhibited similar wormhole structures, which were more extensive than that of the low-sensitivity lot. The least sensitive DA-TATB lot also retained more NH 4 Cl, consistent with reduced connectivity of voids to the surface.

1, 3, 5-triamino-2,4↗
DOE OSTI2020

Soil Sample Plan in Support of the Site 300 Explosives Waste Treatment Facility Ecological Risk Assessment Pursuant to the Hazardous Waste Facility Permit, Part V, Special Condition #14 a-f. August 2020

The Department of Toxic Substances Control issued the Final Hazardous Waste Facility Permit to Lawrence Livermore National Laboratory, Site 300 in 2017. As part of the continual process to ensure waste treatment emissions are not impacting ecological receptors, LLNL analyzed soil samples in the vicinity of the Explosive Waste Treatment Facility (EWTF) Burn Units (i.e., Burn Cage and Burn Pan) and the Detonation Pad. Soil samples were analyzed by EPA Solid Waste 846 Methods for furans, explosives, metals, and semivolatile compounds. In all samples, furans, explosives, and semi-volatile organic compounds were not detected. Metals were detected at concentrations below background levels. This soil sample plan will sample the same four downwind areas of the Burn Units and the same downwind areas of the Detonation, as well as including four new sample locations. The four new locations will be located to the northeast and southwest of the Burn Units and Detonation (as shown in Figure 3). The constituents to be analyzed are in Tables 2 and 3. Perchlorate was not identified as a constituent of concern in the 2007 Soil Sampling Plan. However, for this plan, all soil samples will be analyzed for perchlorate. After completion of the sampling event, a soil sample report will be submitted to DTSC in accordance with requirements specified in the Hazardous Waste Facility Permit, Part V, Special Conditions 16 a-f. This proposed soil sampling plan will be fully implemented no later than one year after receiving DTSC approval, in accordance with the Hazardous Waste Facility Permit, Part V, Special Condition 15.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Soil Sample Workplan in Support of the Site 300 Explosives Waste Treatment Facility Ecological Risk Assessment Pursuant to the Hazardous Waste Facility Permit (Part V, Special Condition #14 a-f)

The Department of Toxic Substances Control issued the Final Hazardous Waste Facility Permit to Lawrence Livermore National Laboratory, Site 300 in 2017. As part of the continual process to ensure waste treatment emissions are not impacting ecological receptors, LLNL analyzed soil samples in the vicinity of the Explosive Waste Treatment Facility (EWTF) Burn Units (i.e., Burn Cage and Burn Pan) and the Detonation Pad. Soil samples were analyzed by EPA Solid Waste 846 Methods for furans, explosives, metals, and semi-volatile compounds. In all samples, furans, explosives, and semi-volatile organic compounds were not detected. Metals were detected at concentrations below background levels. This soil sample plan will sample the same four downwind areas of the Burn Units and the same downwind areas of the Detonation, as well as including four new sample locations. The four new locations will be located to the northeast and southwest of the Burn Units and Detonation (as shown in Figure 3). The constituents to be analyzed are in Tables 7 and 8. Perchlorate was not identified as a constituent of concern in the 2007 Soil Sampling Plan. However, for this plan, all soil samples will be analyzed for perchlorate. Nitrate and all CAM17 metals have been added to the sampling plan to comply with DTSC comments received in correspondence dated June 4, 2021. After completion of the sampling event, a soil sample report will be submitted to DTSC in accordance with requirements specified in the Hazardous Waste Facility Permit, Part V, Special Conditions 16 a-f. This proposed soil sampling plan will be fully implemented no later than one year after receiving DTSC approval, in accordance with the Hazardous Waste Facility Permit, Part V, Special Condition 15.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

ZND Verification Tests for Reactive Burn Models in FLAG

The ZND theory, named after Zeldovich, von Neumann, and Doering, provides a simple model for one-dimensional ideal steady-state detonation. It assumes that the detonation wave front starts with a shock that is a discontinuous jump and is followed by a finite-length reaction zone. Reactive burn (also called reactive flow) models are based on ZND theory, as they model the shock initiation and detonation process with a finite reaction rate. The ZND wave propagation test is essentially the only available test case where an analytic solution exists for verification of reactive burn models in numerical codes. However, there are extensions and variants of the ZND test that have been devised for verification of multidimensional flows. The objective of this work is to provide verification of the reactive burn models currently implemented in the Lagrangian hydrocode FLAG and investigate the influence of mesh resolution, artificial viscosity models, and the Arbitrary Lagrangian-Eulerian (ALE) Euler relaxer on the simulation results. The burn models of interest are the Wescott-Stewart-Davis (WSD) model, the Scaled Uniform Reactive Flow (SURF) model (specifically with the SURFplus model extension), and the Arrhenius shock temperature state dependent WSD (AWSD) model. Previously, Ralph Menikoff has used ZND tests for verification of the SURF and SURFplus models in the Eulerian hydrocode xRAGE. The ZND tests here are somewhat different than the approach by Menikoff. In particular, we use a piston-driven ZND detonation wave (via a prescribed constant velocity boundary condition) in a Lagrangian framework whereas Menikoff had a ZND wave followed by a invariant rarefaction wave. The xRAGE simulations were carried out on uniform grids and adaptive mesh refinement (AMR) grids. Although AMR was recently implemented in FLAG and now fully functional for 2D simulations, it will not be evaluated with ZND tests at this time. Some work has been done previously for validating the reactive burn models in FLAG. For example, the validation studies of SURF with shock-to-detonation (SDT) tests, cylinder tests, and gap-stick tests. Further validation of the AWSD, WSD, and SURF models is described in for SDT, multi-shock, cylinder, and corner-turning tests. Recently, a large parameter study with approximately twenty SDT tests was performed to validate the AWSD, WSD, SURF, and SURFplus models while also investigating mesh resolution and artificial viscosity settings. To the best of our knowledge, the current work represents the first documented verification of these burn models in FLAG. The reader should note that many of the tables and figures in this report use units of cm/g/µs, which are the default units for FLAG. However, some lengths and velocities are expressed in µm and mm/µs, respectively, which are typical units for detonation analyses.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Verification of a specialized hydrodynamic simulation code for modeling deflagration and detonation of high explosives

A specialized hydrodynamic simulation code has been developed and verified for the simulation of one-dimensional unsteady problems involving the detonation and deflagration of high explosives. To model all the relevant physical processes in these problems, a code is required to simulate compressible hydrodynamics, unsteady thermal conduction, and chemical reactions with complex rate laws. Several verification exercises are presented which test the implementation of these capabilities. The code also requires models for physics processes such as equations of state and conductivity for pure materials and mixtures as well as rate laws for chemical reactions. Additional verification tests are required to ensure that these models are implemented correctly. Though this code is limited in the types of problems it can simulate, its computationally efficient formulation allows it to be used in calibration studies for reactive burn models for high explosives. Furthermore, this study demonstrates how a series of verification tests can be used to ensure that the various physics processes needed to simulate complex phenomenon can be tested to ensure that they are correctly implemented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Uncertainty Quantification Enabled by Automatic Differentiation for Hydrodynamic Simulation of Shock‐to‐Detonation Transition in High Explosives

Quantifying the effects of uncertainty in a reactive burn model on the run-to-detonation time in high explosives (HEs) provides a robust methodology for assessing the probability of an HE failing the IHE qualification standard. Moreover, uncertainty quantification helps evaluate whether the model calibration accurately represents data outside the calibration set. This study uses a specialized hydrodynamic simulation code for modeling detonation to determine the run-to-detonation time of the HE PBX 9502 for various impact velocities. To quickly approximate uncertainties in the model, a surrogate was constructed using a Taylor series expansion centered at the mean of the input parameters. To obtain the sensitivities required for constructing the Taylor series, HYP-percomplex Automatic Differentiation (HYPAD) was implemented. HYPAD is a methodology for infusing existing codes with automatic differentiation capabilities by augmenting variables with one or more imaginary units to compute step-size independent partial derivatives. These derivatives are accurate to machine precision with respect to the implemented numerical algorithm, meaning their accuracy reflects that of the underlying method (e.g., integration or discretization schemes). Using reduced order modeling techniques, the mean and standard deviation of the run-to-detonation time of a shock within PBX 9502 were computed for a number of initial impact velocities. A weighted least squares regression was then performed to obtain a best fit curve and prediction interval for the computed statistics. Historical data points from explosively driven wedge tests were utilized to validate the prediction interval, ensuring its reliability in predicting future outcomes. With this prediction interval and a known safety constraint curve, the most probable point of failure and the probability of failure for the HE PBX 9502 were determined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Towards Robust Calibration of the AWSD Reactive Burn Model

Calibration of a reactive burn model for detonation of high explosive is an important step towards predictive hy drodynamic simulations of detonation. A typical calibration consists of varying model parameters (e.g., rate constants, activation energies) until results of hydrodynamic simulations match the experimental data for a certain set of ex periments. Hydrodynamic simulations of the dependence of steady detonation velocity on the radius of a cylindrical high-explosive charge - often used in such calibrations - can be computationally expensive. In this work, we propose a method where such expensive simulations are performed infrequently, and only to parameterize and refine a surrogate model for the dependence of the detonation velocity on calibrated parameters. The method is developed, implemented and applied to an example problem - calibration of the AWSD reactive burn model for important high explosive PBX 9502. Two different flavors of the surrogate model are investigated, and the calibration is performed successfully.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Effect of Heterogeneities on the Reaction-zone of a Propagating Detonation Wave

Reactive burn models for propagating detonation waves in an explosive are based on the ZND (Zel'dovich-Von Neumann-Doring) theory. A key property of the ZND theory, which leads to self-sustaining detonation waves, is a sonic point relative to the front in the reaction zone. Moreover, burn models assume the explosive is a homogeneous material. This assumption is used for plastic-bonded explosives, even though they are heterogeneous materials. The heterogeneities are accounted for only with an empirical burn rate. Furthermore, the reaction-zone width can be less than the length scale of heterogeneities. This raises the question of the effect of heterogeneities on the reaction zone. In particular, whether the reaction zone can be steady and have a well defined sonic point. To examine this question we focus on PBX 9501 since there is data on the grain-binder heterogeneities and on the reaction-zone velocity time history of a steady planar detonation wave. Using pseudo-mesoscale 1-D simulations, we examine the effect of a detonation wave transversing explosive and binder segments of random length. The simulations show that the reaction zone is quasi-steady with only short wavelength small amplitude variations in the detonation wave pressure and speed. The main effect of the heterogeneities is to introduce noise in the pressure and velocity fields that propagates into the Taylor wave behind the detonation. This is consistent with the scatter in the reaction-zone measurements for PBX 9501.

42 ENGINEERING↗
DOE OSTI2021

Actinide Crystallization and Fission Reactions in Cooling White Dwarf Stars

The first solids that form as a cooling white dwarf (WD) starts to crystallize are expected to be greatly enriched in actinides. This is because the melting points of WD matter scale as Z5/3 and actinides have the largest charge Z. We estimate that the solids may be so enriched in actinides that they could support a fission chain reaction. This reaction could ignite carbon burning and lead to the explosion of an isolated WD in a thermonuclear supernova (SN Ia). Our mechanism could potentially explain SN Ia with sub-Chandrasekhar ejecta masses and short delay times.

79 ASTRONOMY AND ASTROPHYSICS↗