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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Challenges in simulating ground interacting nuclear explosions

This paper summarizes recent above-ground nuclear explosion simulations as part of a broader effort to better characterize conditions within a fireball that may influence the chemical evolution of bomb materials and other materials entrained from the local explosion environment. A critical component of this work is validation against historic footage of atmospheric testing, requiring that we understand how the frequency-dependent sensitivity of the utilized film footage influences data captured in such images. We focus first on the early physics of a nuclear explosion in the atmosphere before discussing some of the technical challenges we seek to capture in late-time models that include more complex emplacement conditions and subsurface features. We discuss required physics packages (compressible hydrodynamics, radiation transport, as well as necessary ancillary tables such as equations of state (EOS) and opacities). Additionally, we note reasonable “shortcuts” one may make and their limitations, e.g., using ideal gas EOS, replacing spectrally resolved radiation with spectrally averaged radiation, and exchanging deterministic transport with diffusion. We then discuss an approach to achieving an equilibrated initial stress state for problems where buoyancy and subsurface lithostatic stress are important. Our methodology is presented in the context of LLNL’s ALE3D multiphysics code but may readily be implemented in other codes. In this paper, we start with a description of the challenges of NUDET simulations, followed by a presentation of the simulated intensity (flux) as it would appear on an analysis of the Dixie test. We then progressively introduce additional complexity in subsequent sections (near-surface burst and gravity initialization) before concluding.

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

The effect of oxygen concentration on the speciation of laser ablated uranium

Abstract In order to model the fate and transport of particles following a nuclear explosion, there must first be an understanding of individual physical and chemical processes that affect particle formation. One interaction pertinent to fireball chemistry and resultant debris formation is that between uranium and oxygen. In this study, we use laser ablation of uranium metal in different concentrations of oxygen gas, either 16 O 2 or 18 O 2 , to determine the influence of oxygen on rapidly cooling uranium. Analysis of recovered particulates using infrared absorption and Raman spectroscopies indicate that the micrometer-sized particulates are predominantly amorphous UO x (am-UO x , where 3 ≤ x ≤ 4) and UO 2 after ablation in 1 atm of pure O 2 and a 1% O 2 /Ar mixture, respectively. Energy dispersive X-ray spectroscopy (EDS) of particulates formed in pure O 2 suggest an O/U ratio of ~ 3.7, consistent with the vibrational spectroscopy analysis. Both am-UO x and UO 2 particulates convert to α-U 3 O 8 when heated. Lastly, experiments performed in 18 O 2 environments show the formation of 18 O-substituted uranium oxides; vibrational frequencies for am-U 18 O x are reported for the first time. When compared to literature, this work shows that cooling timescales can affect the structural composition of uranium oxides (i.e., crystalline vs. amorphous). This indicator can be used in current models of nuclear explosions to improve our predicative capabilities of chemical speciation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Flash x-ray radiography analysis of detonation wave propagation in additive-manufactured high explosives

Recent research has demonstrated that additive manufacturing (AM) can be used to produce directionally sensitive high explosives (HEs), but detonation wave propagation in AM HEs with variable internal structure has not been studied. In this work, samples were printed using a 73 wt. % octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine-based HE ink. Flash x-ray radiography imaging was used to observe density changes in two imaging planes of each sample during detonation, and high-speed imaging was used to calculate the detonation velocity at the HE surface. The detonation front initially appears to fail in internal channel regions of the HE, but late reactions occurred in two samples, which increased the material bulk density by 2.8%, possibly due to shock convergence phenomena. The calculated detonation wave pressure similarly increased, but the accuracy of the results is uncertain because of the deviation of the low bulk density printed samples from the cast charge principal isentrope. Here, this work demonstrates that structure can be effectively utilized to guide detonation wave propagation through HE charges.

3D printing↗
DOE OSTI2022

Hydrogen Burning of 29 Si and Its Impact on Presolar Stardust Grains from Classical Novae

Abstract Presolar stardust grains found in primitive meteorites are believed to retain the isotopic composition of stellar outflows at the time of grain condensation. Therefore, laboratory measurements of their isotopic ratios represent sensitive probes for investigating open questions related to stellar evolution, stellar explosions, nucleosynthesis, mixing mechanisms, dust formation, and galactic chemical evolution. For a few selected presolar grains, classical novae have been discussed as a potential source. For SiC, silicate, and graphite presolar grains, the association is based on the observation of small N ( 12 C)/ N ( 13 C) and N ( 14 N)/ N ( 15 N) number abundance ratios compared to solar values, and abundance excesses in 30 Si relative to 29 Si, as previously predicted by models of classical novae. We report on a direct measurement of the 29 Si(p, γ ) 30 P reaction, which strongly impacts simulated δ 29 Si values from classical novae. Our new experimental 29 Si(p, γ ) 30 P thermonuclear reaction rate differs from previous results by up to 50% in the classical nova temperature range ( T = 100–400 MK), while the rate uncertainty is reduced by up to a factor of 3. Using our new reaction rate in Monte Carlo reaction network and hydrodynamic simulations of classical novae, we estimate δ 29 Si values with much reduced uncertainties. Our results establish δ 29 Si values measured in presolar grains as a sensitive probe for assessing their classical nova paternity. We also demonstrate that δ 30 Si values from nova simulations are currently not a useful diagnostic tool unless the large uncertainty of the 30 P(p, γ ) 31 S reaction rate can be significantly reduced.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Comparison of two pressure–temperature equilibration methods

We compare and contrast the traditionally used method of solving the pressure–temperature equilibration problem in hydrodynamics, where specific internal energy and density are considered independent variables, with a different method where pressure and temperature are independent variables. With the goal of examining the robustness of the two methods as the number of components increases, we examine 2-, 4-, 6-, and 8-component systems. After equilibrating more than 10 4 initial conditions for each system using both methods, we demonstrate that the latter method constrains the search space by lowering its dimensionality and forces a better initial guess, resulting in a higher probability of convergence to solution with fewer, cheaper iterations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Facility Safety Plan – Building 225

B225 is operated by the Weapons and Complex Integration (WCI) Directorate and is classified as a Low Hazard facility for radiological hazards and Light Science Industry (LSI) for chemical, radiation generating devices (RGDs) and industrial hazards. Explosives and biological hazards are not authorized for B225. B225 is located in the southwest quadrant of Lawrence Livermore National Laboratory (LLNL) less than 600 meters from the nearest site boundary. B225 is a single-story concrete tilt-up building with a steel deck roof. The primary mission of this facility is to apply nondestructive evaluation (NDE) methods to materials, components, and assemblies. B225 also contains the polymer additive manufacturing laboratories. The floor plans for B225 are provided in Appendix A.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1974

Fuel droplet combustion

An analytical model is developed that demonstrates the behavior of fuel drop ignition, and experimental results are presented that describe the effect of aerodynamic shattering on the process of fuel drop ignition. It is shown that the explosive ignition of a fuel drop which interacts with a shock wave in an oxidizing atmosphere depends upon the production of a fuel-oxidizer mixture in the wake of the original drop. The creation of this mixture is dependent on the formation of fine spray as a result of the aerodynamic shattering of the original fuel drop, the evaporation of the fine spray, and the mixing of the fuel vapor with the surrounding hot oxidizer. Only then does the explosive ignition occur as a result of the chemical reaction between the gaseous fuel and oxidizer.

Kauffman, C. W.↗
NASA NTRS1985

A striking nitrogen isotope anomaly in the Bencubbin and Weatherford meteorites

The stony-iron meteorites Bencubbin and Weatherford contain nitrogen with a ratio of nitrogen-15 to nitrogen-14 larger than normal by as much as a factor of 2. The excess nitrogen-15 may be due either to a nucleosynthetic origin or to extreme isotopic fractionation. In the former case, it may reflect failure to homogenize nitrogen-15 produced in nova explosions. In the latter case, it may reflect chemical processing at temperatures below 40 K in a presolar molecular cloud.

Prombo, C. A.↗
DOE OSTI2021

Recruiting Perovskites to Degrade Toxic Trinitrotoluene

Everybody knows TNT, the most widely used explosive material and a universal measure of the destructiveness of explosions. A long history of use and extensive manufacture of toxic TNT leads to the accumulation of these materials in soil and groundwater, which is a significant concern for environmental safety and sustainability. Reliable and cost-efficient technologies for removing or detoxifying TNT from the environment are lacking. Despite the extreme urgency, this remains an outstanding challenge that often goes unnoticed. We report here that highly controlled energy release from explosive molecules can be accomplished rather easily by preparing TNT–perovskite mixtures with a tailored perovskite surface morphology at ambient conditions. These results offer new insight into understanding the sensitivity of high explosives to detonation initiation and enable many novel applications, such as new concepts in harvesting and converting chemical energy, the design of new, improved energetics with tunable characteristics, the development of powerful fuels and miniaturized detonators, and new ways for eliminating toxins from land and water.

36 MATERIALS SCIENCE↗
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 OSTI2020

Differentiating and Quantifying Gas-Phase Conformational Isomers Using Coulomb Explosion Imaging

Conformational isomerism plays a crucial role in defining the physical and chemical properties and biological activity of molecules ranging from simple organic compounds to complex biopolymers. However, it is often a significant challenge to differentiate and separate these isomers experimentally as they can easily interconvert due to their low rotational energy barrier. Here, we use the momentum correlation of fragment ions produced after inner-shell photoionization to distinguish conformational isomers of 1,2-dibromoethane (C 2 H 4 Br 2 ). We demonstrate that the three-body breakup channel, C 2 H 4 + + Br + + Br + , contains signatures of both sequential and concerted breakup, which are decoupled to distinguish the geometries of two conformational isomers and to quantify their relative abundance. The sensitivity of our method to quantify these yields is established by measuring the relative abundance change with sample temperature, which agrees well with calculations. Finally, our study paves the way for using Coulomb explosion imaging to track subtle molecular structural changes.

Photoionization↗
NASA NTRS1997

Observational Evidence for Mixing and Dust Condensation in Core-Collapse Supernovae

Recent findings of isotopic anomalies of Ca-44 (the decay product of Ti-44) and the enhanced ratio of Si-28/Si-30 in SiC grains X, TiC subgrains, and graphite dust grains within primitive meteorites provides strong evidence that these presolar grains came from core-collapse supernovae. The chemical composition of the presolar grains requires macroscopic mixing of newly nucleo-synthesized elements from explosive silicon burning at the innermost zone of the ejects to higher velocities where C exists and where C/O > 1 in either the outer edge of the oxygen zone or in the He-C zone. To date, the only core-collapse supernova observed to form dust is the brightest supernova of the past four centuries, SN1987A in the Large Magellanic Cloud. Observations of SN1987A confirm large scale macroscopic mixing occurs in the explosions of massive stars. Rayleigh-Taylor instabilities macroscopically mix most of the ejects into regions which are still chemically homogeneous and which cool with different time scales. Only small clumps in the ejects are microscopically mixed. Observations show that dust condensed in the ejects of SN1987A after approx.500 days in the Fe-rich gas. Neither silicates nor SiC grains were seen in the dust emission spectrum of SN1987A. SN1987A, the Rosetta Stone of core-collapse supernovae, shows that while the mixing required to explain presolar grains occurs, the rapid cooling of the Fe zone and the sustained high temperatures of the O-Si, O-C, and He-C zones favor the formation of iron-rich rather than oxygen- or carbon-rich grains.

Wooden, Diane↗
DOE OSTI2021

Fourier-like Thermal Relaxation of Nanoscale Explosive Hot Spots

Hot spots are local regions of high temperature that are widely considered to govern explosive initiation. Hot spot dynamics rests on a delicate balance between heat generation due to chemical reactions and heat loss through thermal conduction, making accurate determinations of the conductivity under extreme conditions a key component of predictive explosive models. We develop here an approach to directly determine the thermal transport properties of explosive hot spots with realistic initial structures through a combination of molecular dynamics (MD) and diffusive heat equation (HEq) modeling. Effective thermal conductivity values are determined by fitting HEq models to MD predictions of long timescale hot spot relaxation. The approach is applied to model hot spots in the molecular crystalline explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) for a range of shock strengths and two limiting cases for impact orientation. Isotropic and anisotropic HEq models yield similar results, despite TATB exhibiting some of the largest and most anisotropic thermal conductivity values for explosive near normal conditions. The conductivity is found to be a strong function of density, which parametrically captures dependence on temperature, pressure, and material state. The associated root-mean-square errors of the fitted HEq models are approximately 5% of MD predicted final equilibrium temperatures. Here, the conductivity values determined here for TATB hot spots are considerably larger than those used in a prior hot spot criticality study, which may significantly impact predictions for critical hot spot sizes. The approach provides a convenient foundation for determining the effective thermal conductivity for hot spot problems in other explosives and directly yields information on reasonable approximations that might be taken in higher-level models for those materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Post-detonation fireball modeling: Validation of freeze out approximations

A numerical simulation study was performed to examine the post-detonation reaction processes produced by the detonation of a 12 mm diameter hemispherical pentaerythritol tetranitrate (PETN) explosive charge. The simulations used a finite rate detailed chemical reaction model consisting of 59 species and 368 reactions to capture post-detonation reaction processes including air dissociation from Mach 19+ shock waves that initially break out of the PETN charge, reactions within the detonation products during expansion, and afterburning when the detonation products mix with the shock heated air. The multi-species and thermodynamically complete Becker-Kistiakowsky-Wilson real-gas equation of state is used for the gaseous phase to allow for the mixing of reactive species. A recent simplified reactive burn model is used to propagate the detonation through the charge and allow for detailed post-detonation reaction processes. The computed blast, shock structures, and mole fractions of species within the detonation products agree well with experimental measurements. A comparison of the simulation results to equilibrium calculations indicates that the assumption of a local equilibrium is fairly accurate until the detonation products rapidly cool to temperatures in the range of 1500-1900 K by expansion waves. Below this range, the computed results show mole fractions that are nearly chemically frozen within the detonation products for a significant portion of expansion. In conclusion, these results are consistent with the freeze out approximation used in the blast modeling community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Gel Permeation Chromatography Methods for Stockpile Relevant PBXs

In order to accurately characterize chemical changes to the binder in plastic-bonded explosives (PBXs) it is important to develop new gel permeation chromatography (GPC) methodologies as well as update previous methods. Herein we present new and updated GPC methodology for Viton A, Kraton G, and Oxy 461. The methods developed were specifically designed for Malvern OMNISEC with a Mixed C column, but minor modifications could be made to these methods to make applicable to other instrumentation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

The ring around SN1987A

Stars in the 9-40 solar mass range play a prominent role in the hydrodynamical and chemical evolution of galaxies. Their stellar winds and supernova explosions are believed to create the hot component of the interstellar medium (ISM). In some galactic disks, the kiloparsec sized super bubbles formed around clusters of massive stars may blow out of the disk plane and release hot, metal enriched gas into the galaxy's halo. Additionally, the expanding shock front of a super bubble in the disk may trigger additional star formation. Furthermore, similar processes probably drive the galactic winds associated with star burst nuclei that enrich the intracluster and intergalactic mediums. Nonetheless, the explosion of a blue super giant in the Large Magellanic Cloud (LMC), SN1987A, illuminated the incompleteness of our understanding of massive stars. Evolutionary models of massive stars do not synthesize the observed super giant populations in either the Milky Way or LMC. Our modeling of the formation of SN1987A's ring will improve our knowledge of both the post-main-sequence evolution of massive stars and their coupling to the ISM in galaxies.

Martin, Crystal L.↗
NASA NTRS1995

Safety-Enclosure System For MOCVD Process Chamber

Safety-enclosure system filled with nitrogen surrounds reaction chamber in which metallo-organic chemical vapor deposition (MOCVD) performed. Designed to protect against explosions and/or escaping toxic gases and particulates. Gas-purification subsystem ensures during loading and unloading of process materials, interior of MOCVD chamber exposed to less than 1 ppm of oxygen and less than 5 ppm of water in nitrogen atmosphere. Toxic byproducts of MOCVD process collected within inert atmosphere. Enclosure strong enough to contain any fragments in unlikely event of explosion.

Singletery, James, Jr.↗