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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

National Emission Standards for Hazardous Air Pollutants – Radionuclide Emissions Calendar Year 2020

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) operates the Nevada National Security Site (NNSS) and the North Las Vegas Facility (NLVF). From 1951 through 1992, the NNSS was the continental testing location for U.S. nuclear weapons. Radionuclides in air from NNSS activities have been monitored since the initiation of atmospheric testing. After 1962, testing was limited to underground detonations, which greatly reduced radiation exposure to the public. Since the end of nuclear testing in 1992, radiation monitoring has focused on detecting airborne radionuclides from historically contaminated soils because this sources dominates the potential offsite dose. These radionuclides are derived from re-suspension of soil (primarily by wind) and emission of tritium-contaminated soil moisture through evapotranspiration. Low amounts of legacy-related tritium are also emitted to air at the NLVF, an NNSS support complex in North Las Vegas. To protect the public from harmful levels of manmade radiation, the Clean Air Act, National Emission Standards for Hazardous Air Pollutants (NESHAP), specifically the National Emission Standards for Emissions of Radionuclides Other Than Radon From Department of Energy Facilities (40 CFR 61, Subpart H, 2020) limits the release of radioactivity from a DOE facility to that which would cause 10 millirem per year (mrem/y) effective dose equivalent (EDE) to any member of the public. This limit does not include radiation unrelated to NNSS activities. Unrelated doses could come from naturally occurring radioactive elements, from sources such as medically or commercially used radionuclides, or from sources outside of the United States, such as Japan’s Fukushima nuclear power plant, which was damaged in 2011. NNSA/NFO demonstrates compliance with the NESHAP limit by reporting environmental measurements of radionuclide air concentrations at critical receptor locations on the NNSS. This alternative was proposed and formerly submitted to the U.S. Environmental Protection Agency (EPA) in 2001 (EPA 2001a) and has been the method used to demonstrate compliance with the 40 CFR 61.92 dose standard since 2005. Six locations on the NNSS have been established to act as critical receptor locations to demonstrate compliance with the NESHAP limit. These locations are closer to radionuclide releases than where the public resides so they act as protective substitutes for public receptor locations. Compliance is demonstrated if the measured annual average concentration is less than the NESHAP Concentration Level (CL) for Environmental Compliance listed in Table 2 of 40 CFR 61, Appendix E. For multiple radionuclides, compliance is demonstrated when the sum of the fractions (determined by dividing each radionuclide’s concentration by its CL and then adding the fractions together) is less than 1.0. The EPAapproved air transport model, called the Clean Air Package 1988 (CAP88-PC) is also used to calculate the effective dose equivalent to the maximally exposed individual from NNSS air emissions. CAP88-PC was also used to calculate the population dose, or the collective EDE (expressed as person-rem [roentgen equivalent man] per year [person-rem/y]) for all individuals combined who reside within 80 kilometers (km) of NNSS emission sources. In 2020, the potential dose from radiological emissions to air from both current and past NNSS activities was well below the 10 mrem/y dose limit. This is demonstrated by both the air sampling data collected at critical receptor air monitoring stations and CAP88-PC modeling. The average concentrations of radioactivity at air critical receptor stations ranged from 0.2% to a maximum of 4.2% of the allowed NESHAP limit. CAP88-PC modeling of all 2020 NNSS radionuclide emissions showed the maximally exposed individual to be in Amargosa Valley and this individual received a potential dose of 0.063 mrem/y. The collective dose was calculated to be 0.29 person-rem/year for the 521,300 people who lived within 80 km of NNSS emission sources.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Sensitivity Effects of Hollow Glass Micro-Balloon Doping on RDX-Based Explosives

Sensitivity to initiation is an important characteristic of high explosives. Many chemical and physical properties are fine-tuned to deliver an energetic material that behaves according to the user’s specifications exactly. In some cases, it is advantageous to study the effects that non energetic additives have on the performance of an explosive material. Following on the promising results obtained in other experiments, a study is conducted on the effects of hollow glass micro-balloons (bubbles, spheres), or HGMB, on a material’s sensitivity. Threshold test data is compared between several formulations of explosives. The control formulation is an RDX-based explosive with a non-energetic binder, and the test formulations are identical in composition, but with the addition of HGMB, up to 6% by volume. Safety testing of the new HGMB-doped explosive formulations is conducted to ensure they can be produced and handled safely prior to intentional detonation. This experiment utilizes an attenuation card of varying thicknesses between the initiator and the test article to attenuate the shock imparted, and a witness plate is analyzed for each test article to determine a GO or NO GO result. The data collected and the conclusions of this study affect how additives like HGMB are utilized in future explosive sensitivity threshold experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Acceleration Modes and Transitions in Pulsed Plasma Accelerators

Pulsed plasma accelerators typically operate by storing energy in a capacitor bank and then discharging this energy through a gas, ionizing and accelerating it through the Lorentz body force. Two plasma accelerator types employing this general scheme have typically been studied: the gas-fed pulsed plasma thruster and the quasi-steady magnetoplasmadynamic (MPD) accelerator. The gas-fed pulsed plasma accelerator is generally represented as a completely transient device discharging in approximately 1-10 microseconds. When the capacitor bank is discharged through the gas, a current sheet forms at the breech of the thruster and propagates forward under a j (current density) by B (magnetic field) body force, entraining propellant it encounters. This process is sometimes referred to as detonation-mode acceleration because the current sheet representation approximates that of a strong shock propagating through the gas. Acceleration of the initial current sheet ceases when either the current sheet reaches the end of the device and is ejected or when the current in the circuit reverses, striking a new current sheet at the breech and depriving the initial sheet of additional acceleration. In the quasi-steady MPD accelerator, the pulse is lengthened to approximately 1 millisecond or longer and maintained at an approximately constant level during discharge. The time over which the transient phenomena experienced during startup typically occur is short relative to the overall discharge time, which is now long enough for the plasma to assume a relatively steady-state configuration. The ionized gas flows through a stationary current channel in a manner that is sometimes referred to as the deflagration-mode of operation. The plasma experiences electromagnetic acceleration as it flows through the current channel towards the exit of the device. A device that had a short pulse length but appeared to operate in a plasma acceleration regime different from the gas-fed pulsed plasma accelerators was developed by Cheng, et al. The Coaxial High ENerGy (CHENG) thruster operated on the 10-microseconds timescales of pulsed plasma thrusters, but claimed high thrust density, high efficiency and low electrode erosion rates, which are more consistent with the deflagration mode of acceleration. Separate work on gas-fed pulsed plasma thrusters (PPTs) by Ziemer, et al. identified two separate regimes of performance. The regime at higher mass bits (termed Mode I in that work) possessed relatively constant thrust efficiency (ratio of jet kinetic energy to input electrical energy) as a function of mass bit. In the second regime at very low mass bits (termed Mode II), the efficiency increased with decreasing mass bit. Work by Poehlmann et al. and by Sitaraman and Raja sought to understand the performance of the CHENG thruster and the Mode I / Mode II performance in PPTs by modeling the acceleration using the Hugoniot Relation, with the detonation and deflagration modes representing two distinct sets of solutions to the relevant conservation laws. These works studied the proposal that, depending upon the values of the various controllable parameters, the accelerator would operate in either the detonation or deflagration mode. In the present work, we propose a variation on the explanation for the differences in performance between the various pulsed plasma accelerators. Instead of treating the accelerator as if it were only operating in one mode or the other during a pulse, we model the initial stage of the discharge in all cases as an accelerating current sheet (detonation mode). If the current sheet reaches the exit of the accelerator before the discharge is completed, the acceleration mode transitions to the deflagration mode type found in the quasi-steady MPD thrusters. This modeling method is used to demonstrate that standard gas-fed pulsed plasma accelerators, the CHENG thruster, and the quasi-steady MPD accelerator are variations of the same device, with the overall acceleration of the plasma depending upon the behavior of the plasma discharge during initial transient phase and the relative lengths of the detonation and deflagration modes of operation.

Polzin, Kurt A.↗
DOE OSTI2020

Heavily Confined PBX 9501 Experiment Report FY2020

Most accidental insults to explosives are invariably thermal in nature—either direct thermal via application of heat or indirect thermal when mechanical energy is converted to heat. The key question is whether the initial thermal insult transitions into a violent explosive response. If the ultimate violence attained is moderate, nearby personnel may be harmed or killed, but Inadvertent Nuclear Detonation (IND) will not occur. However, if the explosive ultimately transitions from deflagration to detonation (DDT) then IND becomes a concern. PBX 9501 is not an insensitive high explosive (IHE). It has been conclusively demonstrated that mechanically and thermally damaged PBX 9501 can readily DDT in heavy confinement. However, it is currently unknown whether pristine explosive—i.e. thermally and mechanically undamaged— is capable of DDT. Three experiments were conducted in order to determine whether very heavily confined pristine PBX 9501 is capable of DDT. All experiments used identical 6-inch diameter spherical charges of PBX 9501 confined in a 350 lb. hardened steel vessel with >2.5-inch thick walls. The first, primary experiment tested pristine PBX 9501 and was thermally ignited at the center of using a laser over optical fiber. Two additional baseline experiments were performed for comparison: the second test was initiated at the center using a detonator; the third test was bulk heated until self-ignition (cookoff). Velocimetry data in combination with hydrocode simulations suggest that a classical detonation wave did not develop in the pristine, thermally ignited PBX 9501. Reaction violence was approximately equivalent—in terms of ultimate energy output—as a full detonation, but the acceleration of metal fragments occurred more slowly than in a detonation-driven scenario.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Role of heating and turbulent heat transfer in HE burning and detonation

Enhanced heat transfer model has been developed due to the turbulence in the cracks and pores in the burning fractured HE. This turbulence then serves in the initialization of the turbulence in the product gas. Enhanced heat transfer is also modeled in the turbulent product gas. Numerical simulations of the onset of HE burning and transition to detonation have been performed with and without the turbulent heat transfer model. Computational results indicate that onset of chemical reactions and transition to detonation is induced by the shockwave formed by the pressure rise caused by the heating. In other words, processes similar to shock-to-detonation transition (SDT) could become the driving mechanism for HE explosion and detonation in the case of heating rather than the temperature alone.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2003

Thrust Augmentation Measurements Using a Pulse Detonation Engine Ejector

The present NASA GRC-funded three-year research project is focused on studying PDE driven ejectors applicable to a hybrid Pulse Detonation/Turbofan Engine. The objective of the study is to characterize the PDE-ejector thrust augmentation. A PDE-ejector system has been designed to provide critical experimental data for assessing the performance enhancements possible with this technology. Completed tasks include demonstration of a thrust stand for measuring average thrust for detonation tube multi-cycle operation, and design of a 72-in.-long, 2.25-in.-diameter (ID) detonation tube and modular ejector assembly. This assembly will allow testing of both straight and contoured ejector geometries. Initial ejectors that have been fabricated are 72-in.-long-constant-diameter tubes (4-, 5-, and 6-in.-diameter) instrumented with high-frequency pressure transducers. The assembly has been designed such that the detonation tube exit can be positioned at various locations within the ejector tube. PDE-ejector system experiments with gaseous ethylene/ nitrogen/oxygen propellants will commence in the very near future. The program benefits from collaborations with Prof. Merkle of University of Tennessee whose PDE-ejector analysis helps guide the experiments. The present research effort will increase the TRL of PDE-ejectors from its current level of 2 to a level of 3.

Santoro, Robert J.↗
DOE OSTI2021

Uranium–Molybdenum Alloy Critical Experiments for the Design of the Health Physics Research Reactor

Clean critical experiments with a uranium-molybdenum alloy (average of 10.1616 wt. % Mo with a density of 17.08 g/cm 3 ) were performed at the Oak Ridge Critical Experiments Facility in 1961 to support the design of the Health Physics Research Reactor (HPRR). The HPRR was similar to the Godiva burst reactor at Los Alamos National Laboratory and was designed to produce 50 microseconds burst of 10 17 fission pulses of radiation for dosimetry measurements, initially in support of the determination of the doses from the nuclear detonations in Japan during World War II. These experiments reported here were used to verify the calculational methods used to design the HPRR. These delayed critical measurements were:1) a solid unreflected and unmoderated 8-in.-dimeter U-Mo cylinder, 2) an unmoderated and unreflected annulus with 8-in.-outside diameter, 2-in.-inside diameter cylinder with a central void, 3) an unmoderated and unreflected annulus with 8-in.-outside diameter, 2-in.-inside diameter cylinder with a central void filled with stainless steel, 4) Same as 3) but with 3-in-thick Plexiglas reflector on top with and without cadmium between the reflector and the U-Mo alloy assembly with steel in the center, and 5) an unmoderated and unreflected annulus which was a modification of the second but with the lower 5 inches of the central hole enlarged to 3.5 in. with various reflector conditions. The reflector conditions were: 1-in.-thick Plexiglas on all outer surfaces-void in the center; 1-in.-thick Plexiglas on all outer surfaces-Plexiglas in the center; 2-in.- thick Plexiglas on radial surface-void in the center; 6-in.-thick Plexiglas on the bottom only-Plexiglas in the center; and 6-in.-thick Plexiglas on bottom, 1-in.-thick on top and on the lower 8.25-cm.-section of the radial surface-void in the center. For some of these reflector conditions 0.025-cm.thick cadmium was located between the reflector and the U-Mo alloy. The uranium contained 93.17 wt. % 235 U. Reflection was a safety concern for this unmoderated and unreflected reactor and reduction of reflection effects was also investigated by insertion of neutron absorber around the U-Mo alloy. The stainless steel 304 contained 18% nickel and 8% chromium and the rest iron. The reflector material was a methacrylate plastic (Plexiglas) containing 5.8 x 10 22 atoms/cm 3 of hydrogen and 3.6 x 10 22 atoms/cm 3 of carbon with a density of 1.20 g/cm 3 . The purpose of this report is to document the experimental information for the measurements performed so that at a later date researchers could perform the required uncertainty and calculational analyses and documentation to use these data for an International Nuclear Criticality Safety Benchmark Program (ICSBEP) or a EURATON Nuclear Energy Agency (NEA) benchmark. The data from the experiments described should be acceptable for use as criticality safety benchmark experiments for the ICSBEP and the NEA nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, the uncertainties in k eff could be as low as ±0.0002 for some configurations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Supernova Hydrodynamics: A Lab-scale Study of the Blast-driven Instability Using High-speed Diagnostics

A novel experimental approach to study the blast-driven instability at a nondiffuse, gaseous interface with a density gradient is presented. Under Euler similarity, this approach enables study of dissipative-scale hydrodynamics relevant to many astrophysical and laboratory high energy density phenomena in a well-resolved manner. The instability is initiated by passing a Taylor–Sedov blast wave originating from a controlled detonation through a perturbed and stably stratified interface between two gases. The facility and driving blast wave are characterized to obtain repeatable conditions and capture large ensembles of time-resolved Mie scattering imaging that show consistent hydrodynamic development. We analyze the instability evolution between different gas pairs to demonstrate the wide range of development and turbulent behavior that may occur between different supernova layers. The mean evolution of the hydrodynamic instability is compared to a buoyancy–drag model that is frequently used to estimate perturbation growth in supernova mixing research. We propose a time delay to this model in order to reproduce the measured instability behavior and demonstrate model robustness in handling flows driven by a time-varying acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

L = 1.24 conjugate magnetic field line tracing experiments with barium shaped charges

Description of three experiments involving the injection of barium ions into magnetic flux tubes with the aid of high-explosive shaped charges with hollow conical liners of barium metal. In these experiments (called Alco, Bubia, and Loro, respectively) the explosive charges were detonated at altitudes above 500 km, producing jets of barium plasma with initial velocities ranging from 8 to 20 km/sec. The most interesting result of the experiments, which were carried out near L = 1.24 and were successful in tracing an entire field line some 7000 km to the conjugate ionosphere, was the observation that for Loro and probably Alco the direction and rate of drift of the two ends of the field line were identical, whereas those for Bubia differed significantly. In the case of the Bubia event significant differences in magnitude and direction at the conjugate points are noted, which lead to the conclusion that the field line could not have been equipotential during the interval of observation.

Wescott, E. M.↗
NASA NTRS1975

The L = 6.6 Oosik barium plasma injection experiment and magnetic storm of March 7, 1972

A high-explosive shaped charge vaporizing a hollow conical liner of Ba metal and producing a fast field-aligned jet of plasma was detonated at high altitude, during a quiescent phase of a magnetic storm initiated by an ssc 10 hrs prior to the experiment, in an attempt to trace out and observe the dynamics of an auroral field line in the magnetosphere. Observations offer evidence for an upward Birkeland current sheet at the poleward edge of the auroral spiral of 8 x 10 to the minus second power A/m. Unusual features of the substorm leave open the possibility that the plasma injection may have triggered it.

Wescott, E. M.↗
DOE OSTI2025

Fractal Scaling of Explosively Driven Product Gases

ABSTRACT Characterization of the interface between explosive product gases and ambient air in an explosion is a complicated task due to the turbulent mixing and inherently three‐dimensional expansion of the interface. This study aims to quantify the evolution of the interface as a temporally varying Hausdorff dimension. Two test series were conducted with Composition C‐4 charges with masses of 105 and 880 g. Imaging data were collected from the time of detonation until shock wave detachment using ultra‐high‐speed cameras. Gas cloud profiles were extracted using automated image processing algorithms, and the Hausdorff dimension of these two‐dimensional slices of the gas cloud was then estimated using boxcounting algorithms. When scaled with standard gas dynamic nondimensional scalings, the Hausdorff dimension of all explosive events appears to collapse towards a single curve. The fireball was initially nonfractal and began to develop fractal properties as the shock wave separated from the detonation products. Artificial perturbation of the charged surface had no detectable impact on the evolution of the Hausdorff dimension in the early development of the fireball outside of error, despite visible phenomenological differences in the early development of mixing on the fireball surface.

42 ENGINEERING↗
DOE OSTI2020

The Nature and State of Groundwater Contamination at the Nevada National Security Site: What Have We Learned from Decades of Groundwater Analysis? - 20337

The regulatory framework for remediating radionuclide contamination from underground nuclear testing at the Nevada National Security Site (NNSS) is based on a combination of characterization and modeling studies, monitoring, and institutional controls [1]. Currently, tritium is the largest contributor (∼90%) to the estimated 44.6 million-curie radionuclide inventory resulting from underground testing [2]. Because of its short half-life (12.32 years), its relative contribution reduces below 10% of the total radiologic inventory over the next 120 years as a result of radioactive decay. Although tritium levels are observed well above the Safe Drinking Water Act (SDWA) maximum contaminant levels (MCLs) in groundwater, other radionuclides are well below their MCLs except within the nuclear test near-field (nuclear test cavity and chimney) environment. In fact, most device-derived radionuclides are below their MCL in groundwater even in samples collected from this near-field environment. The distribution of radionuclides following the nuclear detonation greatly influences the availability of potential contaminants for groundwater transport. Tritium is initially distributed in the gas phase, later as tritiated water in steam, and finally as liquid water, and is available to groundwater transport away from the near-field environment. Other radionuclides that are mobile in groundwater are {sup 14}C, {sup 36}Cl, {sup 99}Tc, and {sup 129}I though their radiologic inventory is small when compared to tritium. Many radionuclides (e.g. U, Pu, Am) are incorporated to a significant extent into the melt glass at the bottom of the cavity and are accessible to groundwater primarily through the slow process of glass dissolution. These radionuclides are also adsorbed to the surfaces of the crushed rock within the cavity and chimney which limits their migration in groundwater. Although colloid facilitated transport of radionuclides at the NNSS has been observed [3], radionuclide concentrations decrease with time and migration distances due to desorption and colloid filtration processes. Current studies indicate that radionuclides associated with colloids are unlikely to migrate downgradient from NNSS underground nuclear tests at concentrations above the SDWA MCL [4][5]. The results of over 50 years of sampling, along with an understanding of these post detonation processes, indicate that tritium is the only contaminant of concern downgradient of testing and that even tritium will not exceed its MCL in groundwater after ∼120 years. Although other longer-lived radionuclides may continue to be released slowly from the near-field environment they will likely never reach levels exceeding their MCLs in groundwater downgradient of the NNSS. Groundwater monitoring will continue to verify these observations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Scaling Law for Cloud-Rise Velocity vs. Scaled Height of Burst (SHOB)

The shockwave produced by a nuclear detonation leaves a low-density region in the vicinity of air zero (i.e., the point of detonation). As the shockwave degenerates into an acoustic wave, the buoyant force takes over and causes the low-density region to begin to rise at speeds that can reach as high as ~200-300 mph. The objective of this project was to find out if this initial cloud rise followed any scaling law, by stimulating a cloud rise for a 1 kiloton (kt) detonation and determining if a correlation existed between the scaled-height-of-burst (SHOB) and the scaled-cloud-rise velocity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Pursuing small-scale measures of penetration resistance in Ti-5553 alloy

This work was originally proposed to illustrate the performance of a particular set of differently processed Ti-5553 plates under dynamic threats. It became clear that the larger question, at present, is whether the small-scale shaped charge design of an RP-4 detonator can be employed to efficiently explore the dynamic penetration resistance of representative test articles. The initial penetration testing that employed three variants of thermomechanical processing of Ti-5553 plates appeared to demonstrate that there was a noticeable difference in their performance. The remaining pertinent question was regarding the variation in the shaped charge performance and how it compares to the variation from the three titanium plate tests. Based on the limited testing presented here the RP-4 shaped charge detonator appears to have an average depth of penetration in 6061 aluminum of 90mm with a 1.5CD stand off.

shaped charge penetration↗
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 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 OSTI2024

The Effects of Material-Filled Voids on Detonation Wave Shape in Rubberized RDX Explosives

The sensitivity of explosives is affected by inhomogeneities within the material. This is evident in the increased shock sensitivity of explosives with slightly lower densities resulting from an increased number of hotspots. The influence of hotspots on explosive initiation has been well studied; however, few studies have been conducted on the effect of intermediate-sized voids (0.1–10 mm) on a propagating detonation wave. Cylindrical voids filled with air have been studied for diameters ranging from 0.3 mm to 0.8 mm for both 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and 1,3,5-trinitro-1,3,5-triazinane (RDX)-based rubberized explosives. Continuing the investigation into single cylindrical voids, this study examined the effects of 0.5 mm diameter voids filled with different inert cylindrical metals on the detonation wave shape for an RDX-based rubberized explosive. The metals selected for experiments were 1066 aluminum, brass, copper, and tungsten. The propagation of the detonation wave was captured using a digital streak camera. Experimental results showed that the extent of detonation wave shaping was closely tied to the density differential between the bulk explosive and metal insert. Forty-four different filler materials, including non-metals, were simulated using a hydrodynamic code to further analyze material inclusion effects. The main factors hypothesized to be of interest were bulk sound speed, shock impedance, and filler material density. We found that the local detonation delay could be correlated fairly well to a ratio of bulk sound speed and density. Understanding the influence of material inclusions on detonation performance and wave shape allows for tailoring of detonations.

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

Parallel Implicit Hydrodynamics for High Explosive Burn Calculations

High explosives in hostile environments will require calculational capabilities that model processes, which evolve on timescales from minutes to nanoseconds. Eventually the HE will begin to move metal. To handle this temporal evolution an implicit hydrodynamics coupled to the chemical release of the HE energy is required. In addition, the use of chemical kinetics to model the transition from, the initially, slow heating of a confined high explosive through to deflagration and on to detonation requires many computational zones to model high explosive engineering systems. This requirement means that a fully parallel implicit hydrodynamics is essential. In this paper we present the calculation of a nonlinear matrix equation for the advanced particle pressure that has been made parallel and implemented in our AMR code, BABBO. This new parallel implicit hydrodynamics has been applied to a cookoff problem, as well as, one and two dimensional shock problems. Results are presented and discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗