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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Parallel Implicit Hydrodynamics with Material Strength for High Explosive Burn Calculations

High explosives are almost always evolving in some form of metal containment vessel. This fact requires that a materials model for the evolution of the metal containment vessel be part of any simulation of the HE. Since the actual form of the strength model to be used is an open question, we incorporate the material strength properties in a relatively agnostic fashion, which will accommodate many strength models. The only restriction is that the stress components be a function of density, specific internal energy and velocities. In addition, the timescales and rates of the chemical reactions in the HE vary between thousands of seconds and nanoseconds. A hydrodynamics capable of operating in anticipation of the eventual violent release of energy via these chemical reactions is a necessity. The central issue in creating a hydrodynamics capable of spanning these timescales is to forgo the use of a Courant time step control necessary in an explicit hydrodynamics. The Courant time-step arises because of characteristic velocities associated with the material, such as the sound speed or, in materials with strength, characteristic longitudinal and transverse speeds associated with compression and shear. The method used to circumvent the need for a Courant time-step limit is to develop an implicit calculation of the advanced particle pressure and shear modulus derived from the conservation laws of mass, momentum and specific internal energy. This process creates the implicit hydrodynamics needed for the HE calculations of interest to this study.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Thermal Calculations to Determine Maximum Zircaloy Temperatures During Reactor Operations for Campaign 1 Fuel Assemblies

The H-Canyon Facility plans on processing bundles from Non-Aluminum Spent Nuclear Fuel (NASNF) Risk Group 1 (UO 2 core fuels). Uranium-zirconium (UZr) alloys and zirconium clad UO 2 fuel containing UZr intermetallic compound have the potential to cause explosions during dissolution. UZr intermetallic typically only forms when uranium and zirconium (or zirconium alloy) cladding are in contact at high temperatures. Thermal modeling was performed to determine the maximum cladding temperature for Campaign 1 Zircoloy cladded fuel assembles during reactor operation to help determine if the UZr intermetallic compound could have formed during reactor operations. The temperature of 350°C was chosen as a conservative minimum value for the possible formation of intermetallic UZr compound. The modeling approach, inputs, and results are outlined in this document.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

The "Fake" Supernova Neutrinos of SBND: Using Muons Decaying at Rest to Study the Charged Current MeV-Scale $V_e$-Ar Cross Section

In a Type-II core collapse supernova, 99% of the total amount of energy is released in the form of neutrinos. However, the nearest supernova explosion in the last few hundred years was in 1987, over thirty years ago. It was also the first from which particle detectors around the world managed to detect the neutrino flux, yielding important information about their properties and the explosion mechanism. Neutrinos are the most weakly interacting subatomic fundamental particles known to date, and they act as a cooling mechanism for the star. Out of the six neutrino flavours currently known, the majority exiting the explosion are electron neutrinos, ve. Neutrino experiments using liquid argon (LAr) as their detector medium are unique at probing this specific channel. In the meantime, however, until the next explosion, we can still practise for the big event. With the Short Baseline Near Detector (SBND) experiment at Fermilab, we can study how electron neutrinos of the same energy coming from the Booster Neutrino Beam (BNB) interact in LAr, and measure the cross section. As BNB measurements are mostly tailored to higher energy neutrinos, I will present an overview of how SBND is aiming to select the low-energy neutrino candidates from muons Decaying At Rest (DAR) in the absorber and target within the BNB beam pipe. This is not a straightforward feat, encompassing special difficulties that include beam and flux systematic uncertainty simulation, system trigger needs and particular reconstruction efforts, and so I will present how each challenge is being addressed in SBND. This will be a novel measurement in the neutrino particle physics community, and will prove fundamental for the next generation of supernova neutrino detectors.

Kotsiopoulou, Lucy [Edinburgh U.]↗
DOE OSTI2022

The role of detonation condensates on the performance of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) detonation

Thermochemical models of detonation are widely used to estimate energy delivery, but they are based on the assumption that the carbon-rich condensates (soot) formed during detonation are very similar to bulk carbon. Here, we present an analytic equation of state (EOS) based on experimental detonation data for soot formed during the detonation of triaminotrinitrobenzene (TATB)-based high explosives. X-ray photoelectron spectra of several detonation soots are used to determine the elemental nitrogen abundance, with surprisingly high values for TATB. The proposed TATB soot EOS is highly compressible at low pressures and shares some features of glassy carbon, exhibiting graphite- and diamond-like behavior as a function of pressure. We demonstrate the influence of formed soot on detonation performance, including a lowering of the detonation velocity at typical charge densities, and a more compressive product Hugoniot at overdriven conditions. The soot model improves the accuracy of thermochemical calculations for TATB-based explosives across a wide range of states. Detonation velocity predictions for HMX (cyclotetramethylene-tetranitramine)-TATB blends with 80% or more TATB content, as well predictions for 1,3-diamino-2,4,6-trinitrobenzene (DATB) and 3-nitro-1,2,4-triazol-5-one (NTO), which share some features with TATB, are also improved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Numerical Simulations of Non-Proliferation Experiments

We have implemented a set of numerical simulations to numerically investigate the outcomes of non-proliferation experiments. The high explosive (HE) in the simulations is in the form of a cylinder. The two-dimensional simulations are carried out in the r-z cylindrical coordinate, and the three-dimensional simulation is in the Cartesian coordinate. From the simulation, the cavity formed after detonation stops its expansion after about 0.15 sec. At the time the cavity stops expanding, the cavity shape seems quite spherical although the initial HE is in the shape of cylinder, but the radius in the vertical direction, which is about 19.7m, is a little less than the one in the horizonal direction, which is about 21.5m. Although there is no layer of air between the HE and tuff in real experiments, in addition to the simulations without air, we add a layer of air in one simulation to assess any possible influence of the air on the shape of the cavity.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

The saturation mechanism of thermal instability

The literature on thermal instability (TI) reveals that even for a simple homogeneous plasma, the nonlinear outcome ranges from a gentle reconfiguration of the initial state to an explosive one, depending on whether the condensations that form evolve in an isobaric or nonisobaric manner. After summarizing the recent developments on the linear and nonlinear theory of TI, here we derive several general identities from the evolution equation for entropy that reveal the mechanism by which TI saturates; whenever the boundary of the instability region (the Balbus contour) is crossed, a dynamical change is triggered that causes the comoving time derivative of the pressure to change the sign. This event implies that the gas pressure force reverses direction, slowing the continued growth of condensation. For isobaric evolution, this “pressure reversal” occurs nearly simultaneously for every fluid element in condensation and a steady state is quickly reached. For nonisobaric evolution, the condensation is no longer in mechanical equilibrium and the contracting gas rebounds with greater force during the expansion phase that accompanies the gas reaching the equilibrium curve. The cloud then pulsates because the return to mechanical equilibrium becomes wave mediated. We show that both the contraction rebound event and subsequent pulsation behavior follow analytically from an analysis of the new identities. Our analysis also leads to the identification of an isochoric TI zone and makes it clear that unless this zone intersects the equilibrium curve, isochoric modes can only become unstable if the plasma is in a state of thermal non-equilibrium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

GRB 171205A: Hypernova and Newborn Neutron Star

GRB 171205A is a low-luminosity, long-duration gamma-ray burst (GRB) associated with SN 2017iuk, a broad-line type Ic supernova (SN). It is consistent with having been formed in the core collapse of a widely separated binary, which we have called the binary-driven hypernova of type III. The core collapse of the CO star forms a newborn NS (νNS) and the SN explosion. Fallback accretion transfers mass and angular momentum to the νNS, here assumed to be born non-rotating. The accretion energy injected into the expanding stellar layers powers the prompt emission. The multiwavelength power-law afterglow is explained by the synchrotron radiation of electrons in the SN ejecta, powered by energy injected by the spinning νNS. We calculate the amount of mass and angular momentum gained by the νNS, as well as the νNS rotational evolution. The νNS spins up to a period of 47 ms, then releases its rotational energy powering the synchrotron emission of the afterglow. The paucity of the νNS spin explains the low-luminosity characteristic and that the optical emission of the SN from the nickel radioactive decay outshines the optical emission from the synchrotron radiation. From the νNS evolution, we infer that the SN explosion had to occur at most 7.36 h before the GRB trigger. Therefore, for the first time, the analysis of the GRB data leads to the time of occurrence of the CO core collapse leading to the SN explosion and the electromagnetic emission of the GRB event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Shock Hugoniot measurements of single-crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) compressed to 83 GPa

We present laser-driven shock Hugoniot measurements of single-crystal (SC) 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) between 15 and 83 GPa, spanning pressures below and well above the Chapman–Jouguet pressure of ~28 GPa for TATB formulations (TATB grains mixed with plastic binders at 5–10 wt. %). The new SC data are generally ~3% more compressible than previously published data on neat and formulated TATB measured in gas-gun and explosive-driven experiments. An exception is at compressions in the density of ~1.5 (~30–40 GPa), where our new SC data exhibit significantly lower pressures than previous results on overdriven TATB formulations, suggesting that our SC samples remain largely unreacted below 35 GPa over the short nanosecond-time scales inherent to our laser-driven experiments. We report these novel equation-of-state measurements are a critical step toward understanding TATB in its most fundamental form and improving predictive modeling of TATB-based explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Shock initiation and hot spots in plastic-bonded 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)

TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is a powerful explosive whose dynamical behavior is difficult to study because TATB is so insensitive to initiation by shock waves. We used a tabletop microscope equipped with 0–4.5 km/s laser-launched flyer plates to study shock initiation of TATB, which was fabricated in the form of an array of hundreds of plastic-bonded explosive minicharges (X-TATB = 80% TATB + 20% Sylgard 182 polymer). The 4 ns shocks from the flyer plates were not effective in initiating TATB, but we also developed a two-layer array where flyers first initiated a plastic-bonded PETN (pentaerythritol tetranitrate) charge (X-PETN = 80% PETN + 20% Sylgard), which drove an initiating 25 ns shock into the X-TATB. Thermal emission from shocked X-TATB was used to measure time-dependent temperature profiles with a resolution of 2 ns and to produce high-speed (5 ns) videos. In X-TATB, flyer plates produced 2500–3500 K hot spots and combustion at 2500 K. With X-PETN initiators, X-TATB had 3500–4000 K hot spots and a powerful volume explosion lasting a few nanoseconds. Prospects for producing TATB detonations on a tabletop are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Multi-phenomenology Yield Characterization

This report serves as the first delivery of a four-year applied science effort to transform and advance the error bounds for the yield estimate of an explosion. Each year’s delivery will be in this form, culminating in the submission of this work for peer review to a scientific journal. Importantly, the yearly progress reports can then also be viewed as expanding drafts working towards a formal journal article submission. For the first tranche of funding, we collaborated with Air Force Technical Applications Center (AFTAC) scientists to identify unclassified real-world data that demonstrate and validate our advanced error propagation methods. Collaboration includes visits to AFTAC and telecons. For this development, we illustrate the fusion of seismic, acoustic, optical, and surface effect signatures from an explosion. The mathematics and code being adapted to this specific application (Williams et al., 2021) involves physics models of multiple sensor signatures. We have also identified related physics models and have integrated them into code. Current methods of underground explosion yield estimation for the Threshold Test Ban Treaty (TTBT) have served the US treaty monitoring mission well for decades. A research objective of the Defense Nuclear Nonproliferation Research and Development (DNN R&D) office of the National Nuclear Security Administration (NNSA) has always been to provide new technical capabilities for monitoring lower thresholds. The general model and error propagation code to be developed in this project is based on significant advances in error modeling and propagation needed to analyze data at lower detection thresholds. The second tranche of funding for this project began on May 1, 2022, and planned work for the second tranche includes: i) completing the integration of physical model code into the general error model framework; this code accommodates a wide range of linear/nonlinear source models, fixed/ random effects, and frequentist/Bayesian analyses (the purpose of which is not to dictate to users how to analyze data, but instead to allow users the maximum flexibility in their work); ii) illustrative application of code to identified data, and; iii) initial planning with AFTAC researchers on delivery of code to the Common Development Environment at AFTAC, and continued writing of the planned final journal article submission (year two of this progress report), with particular emphasis on descriptions of data identified for this effort.

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

A review of coal heating value correlations with application to coal char, tar, and other fuels

Accurately measuring a fuel’s heating value is one of the first steps in the classification of a new fuel. Heating values are widely used in coal combustion research and are becoming more useful in other fuel types as well. Many different empirical correlations to predict heating values based on primary organic (CHONS) elemental composition are found in the literature, many of which were originally created to predict heating values of parent coal, and some of which have been extended for biomass. However, no correlations exist for heating values of coal chars and tars. Thirteen literature heating value correlations (10 model forms with 13 unique sets of coefficients) were evaluated for their predictive accuracy of a wide variety of fuel types, including 353 coals. This comparative analysis showed that the predictive capabilities of many of these literature models are very similar for coal-based fuels, with good correlation of coal char heating values. Correlation of coal tar heating values was hampered by the lack of heating value data. The choice of which model to use becomes more important for biomass fuels as well as for more unique fuel types like propellants and explosives, municipal solid waste, etc. Finally, the best model forms for each fuel type are suggested based on several statistical measures of fit.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Following Fission Products in Explosive Astrophysical Environments

The astrophysical process by which the heaviest elements are formed in the universe is known as the rapid neutron capture process, or r process, of nucleosynthesis. The r process is characterized by the neutron capture and β - decay of short-lived, neutron-rich atomic nuclei; in suitably extreme environments, nuclear fission can also play a major role in determining the ensuing nucleosynthesis. In this work, we present the application of our recently developed nucleosynthesis tracing framework to precisely quantify the impact that neutron-induced and β - -delayed fission processes have in r-process environments that produce fissioning nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Report on Lightning Simulation Standards and Facilities

Lightning strikes pose a significant threat to various forms of infrastructure and electrical equipment. Aircraft and high explosives are of particular interest due to the massive ramifications of the device being compromised due to exposure to lightning damage. However, due to lightning being a varying weather phenomenon, testing a device’s vulnerability to lightning is generally not as simple as simply exposing it to real world lightning. To consistently test a device’s ability to survive the worst-case scenario of lightning exposure, the effects of the most severe lightning strikes must be able to be reproduced consistently and measurably. One such facility for this purpose is the Sandia Lightning Simulator (SLS), which is designed to simulate the current waveform of a severe lightning flash. However, the SLS’s design and age lead to difficulties in its operation and inconsistencies in its output. The methodology used in other lightning simulation facilities may offer information on how to improve the SLS’s operation, or at the very least, expose the SLS’s hidden strengths. This report explores lightning simulation, lightning testing standards, and lightning simulation facilities.

42 ENGINEERING↗
DOE OSTI2021

The radioactive nuclei 26 Al and 60 Fe in the Cosmos and in the solar system

The cosmic evolution of the chemical elements from the Big Bang to the present time is driven by nuclear fusion reactions inside stars and stellar explosions. A cycle of matter recurrently re-processes metal-enriched stellar ejecta into the next generation of stars. The study of cosmic nucleosynthesis and this matter cycle requires the understanding of the physics of nuclear reactions, of the conditions at which the nuclear reactions are activated inside the stars and stellar explosions, of the stellar ejection mechanisms through winds and explosions, and of the transport of the ejecta towards the next cycle, from hot plasma to cold, star-forming gas. Due to the long timescales of stellar evolution, and because of the infrequent occurrence of stellar explosions, observational studies are challenging, as they have biases in time and space as well as different sensitivities related to the various astronomical methods. Here, we describe in detail the astrophysical and nuclear-physical processes involved in creating two radioactive isotopes useful in such studies, 26 Al and 60 Fe. Due to their radioactive lifetime of the order of a million years, these isotopes are suitable to characterise simultaneously the processes of nuclear fusion reactions and of interstellar transport. We describe and discuss the nuclear reactions involved in the production and destruction of 26 Al and 60 Fe, the key characteristics of the stellar sites of their nucleosynthesis and their interstellar journey after ejection from the nucleosynthesis sites. This allows us to connect the theoretical astrophysical aspects to the variety of astronomical messengers presented here, from stardust and cosmic-ray composition measurements, through observation of γ rays produced by radioactivity, to material deposited in deep-sea ocean crusts and to the inferred composition of the first solids that have formed in the Solar System. We show that considering measurements of the isotopic ratio of 26 Al to 60 Fe eliminate some of the unknowns when interpreting astronomical results, and discuss the lessons learned from these two isotopes on cosmic chemical evolution. This review paper has emerged from an ISSI-BJ Team project in 2017–2019, bringing together nuclear physicists, astronomers, and astrophysicists in this inter-disciplinary discussion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

All-Atom Simulation of 3D Hot Spot Formation in Shocked TATB Explosive

TATB is an insensitive high explosive (IHE) critical to the stockpile that is challenging to model at the continuum scale. Advanced detonation models in the Cheetah high explosive chemistry code require validation though subscale simulations. High explosive initiation is determined by micron-scale physics of hot spots formed a shock-collapsed pores. Pore sizes between 100 nm and 1 μm are believed to be the most important for determining the shock sensitivity of TATB. This range of pore sizes is difficult to access at the atomic scale through allatom molecular dynamics (MD) simulations, even with Sierra-class computers. Quasi-2D simulations are widely used and allow much larger pore sizes (up to 400 nm) to be studied, but the applicability of 2D simulations to the actual 3D pore response is not understood. Resolving these uncertainties through “full physics” MD modeling is key for generalizing, parameterizing, and validating the kinds of continuum models used to inform design, safety, and performance. This work was a continuation of FY20 efforts pushing simulations to full 3D with the largest-ever all-atom simulations of an explosive. These were the first all-atom full-3D simulations of large hot spots thought to govern explosive detonation and required over a billion atoms. Simulations were performed using LAMMPS, an open SNL science code. MD explosive models present unique challenges, even for established codes such as LAMMPS. Their model forms are more complex than typical models for metals, while simulating high temperature-pressure conditions is demanding and increases computational cost. Scaling problems in GPU-enabled MD algorithms initially limited simulations to <100 million atoms but were resolved through collaboration with SNL. An overall 24x speedup was obtained relative to CPU machines. Specialized analysis of these simulations required a bottom-up refactoring and algorithm parallelization of in-house codes and application of computer vision algorithms to extract meaningful information.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flavor triangle of the diffuse supernova neutrino background

Although Galactic core-collapse supernovae (SNe) only happen a few times per century, every hour a vast number of explosions happen in the whole universe, emitting energy in the form of neutrinos, resulting in the diffuse supernova neutrino background (DSNB). The DSNB has not yet been detected, but Super-Kamiokande doped with gadolinium is expected to yield the first statistically significant observation within the next several years. Since the neutrinos produced at the core collapse undergo mixing during their propagation to Earth, the flavor content at detection is a test of oscillation physics. In this paper, we estimate the expected DSNB data at the DUNE, Hyper-K and JUNO experiments which when combined are sensitive to all different neutrino flavors. Here, we determine how well the flavor content of the DSNB will be reconstructed in the future, for a Mikheyev-Smirnov-Wolfenstein (MSW) scenario as well as a neutrino decay scenario. A large fraction of the flavor space will be excluded, but the heavy-lepton neutrino flux remains a challenge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

The DECam MAGIC Survey: Spectroscopic Follow-up of the Most Metal-poor Stars in the Distant Milky Way Halo *

In this work, we present high-resolution spectroscopic observations for six metal-poor stars with [Fe/H] < –3 (including one with [Fe/H] < –4), selected using narrowband Ca ii HK photometry from the DECam MAGIC Survey. The spectroscopic data confirm the accuracy of the photometric metallicities and allow for the determination of chemical abundances for 16 elements, from carbon to barium. The program stars have chemical abundances consistent with the [Fe/H] < –3 range. A kinematic/dynamical analysis suggests that all program stars belong to the distant Milky Way halo population (heliocentric distances 35 < d helio /kpc ≲ 55), including three with high-energy orbits that might have been associated with the Magellanic system and one, J0026−5445, having parameters consistent with being a member of the Sagittarius stream. The remaining two stars show kinematics consistent with the Gaia-Sausage/Enceladus dwarf galaxy merger. J0433−5548, with [Fe/H] = –4.12, is a carbon-enhanced ultra metal-poor star, with [C/Fe] = +1.73. This star is believed to be a bona fide second-generation star, and its chemical abundance pattern was compared with yields from metal-free supernova models. Results suggest that J0433−5548 could have been formed from a gas cloud enriched by a single supernova explosion from an ∼11 M ⊙ star in the early Universe. The successful identification of such objects demonstrates the reliability of photometric metallicity estimates, which can be used for target selection and statistical studies of faint targets in the Milky Way and its satellite population. These discoveries illustrate the power of measuring chemical abundances of metal-poor Milky Way halo stars to learn more about early galaxy formation and evolution.

CEMP stars↗
DOE OSTI2024

Verification and validation of detonation-shock-dynamics relations for explosives described by general equation of state and chemical reaction models

Detonation shock dynamics is a powerful method to model the behaviour of High Explosives (HE). However in order to use this method, the underlying relationship between the local radius of curvature and the detonation speed must be known. Previous work has developed methods to calculate this effect using simple, single-step Arrhenius and polytropic gas, models for the chemical reaction and the equation of state, respectively. In recent years, more complex models for both reaction rates and equations of state have been developed which show better agreement with experimental data than these simple models, especially when considering condensed phase explosives.. This work presents the governing equations for solving these problems in a way that is generalised to use arbitrary equations of state as well as reaction models which may have more than a single step and multiple product species. This implementation is verified against exact solutions, demonstrating that the equations were implemented properly. The verified algorithm is then validated against experimental data and high fidelity simulations, showing that it is able to make accurate predictions in a regime where the underlying assumptions of the governing equations are valid. Importantly, this approach has many applications: from creating equivalent detonation shock dynamics models for existing reactive burn calibrations for HE; to developing new functional forms and calibrations of reactive burn models for condensed phase high explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗