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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Explosive dispersal of particles in high speed environments

In this paper, we present the results of the explosive dispersal of particles in high-speed environments. We carry out Euler–Lagrange numerical simulations of a source at quiescent ambient conditions as well as moving at Mach numbers of 3 and 6. Particle volume fractions of 0%, 1%, and 4.5% are presented. The detonation profile is computed with the Jones–Wilkins–Lee equation of state using a reactive burn model. Non-static cases provide a framework to consider the effect of a bow shock and pre-existing high-speed flow conditions on the dispersal process. We also compute averages of both static and dynamic pressures, as well as impulse density histories on virtual probe planes to characterize the momentum of the flow and particles that would deposit on a target. Results suggest that the presence of the particles can have a substantial effect on the pressure average of the virtual target planes.

Durant, B. A.↗
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 OSTI2025

AWSD reactive flow model for PBX 9404

An Arrhenius–Wescott–Stewart–Davis (AWSD) reactive flow model for high explosive PBX 9404 is developed. We specifically calibrate an AWSD model for PBX 9404 by fitting equations of state for reactants and detonation products to the results of thermochemical calculations and to experimental data from multiple sources. The calibrated equations of state are then coupled with an Arrhenius rate law based on shock temperature that describes the reaction progress during PBX 9404 detonation. The parameter values in the rate law are calibrated to experimental gas-gun data and diameter effect results. The results of the calibrated AWSD model are in strong agreement with available experimental data for PBX 9404. A similar level of agreement between predicted and experimental results is observed when the calibrated model is validated on data that were not used in the model parameterization procedure. Our results illustrate that the AWSD model is capable of accurately describing the many important properties and observables in the reactive burn of PBX 9404. Because of the historical significance of PBX 9404 in high explosives research and its current use in aging studies, this work provides an important model of a legacy material, which can be used to make comparisons to new high explosive formulations.

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 OSTI2021

Re-calibration of PBX9501 SURF model

PBX 9501 is a plastic bonded explosive composed of 95 wt % HMX and a binder; see [Gibbs and Popolato, 1980, pp. 109–119]. SURF is a reactive burn model for shock initiation and propagation of detonation waves. It has previously been calibrated for PBX 9501. Here the SURF model is recalibrated for PBX 9501; specifically, lot 730-010 at ρ = 1.837 g/cc 3 . The new calibration uses the Davis reactants and products EOS calibrated for the AWSD model [Aslam et al., 2020]. The burn rate in the shock initiation regime is fit to the Pop plot from 5 embedded gauge shock-to-detonation transition (SDT) experiments from [Gustavsen et al., 1999, see fig 12 and table 5]. In the propagation regime, the burn rate is fit to curvature effect data (detonation speed as function of front curvature); see [Aslam, 2007]. Also the burn parameters are adjusted to fit the gap-stick experiment [Hill et al., 2018]. Simulating the detonation wave speed in this experiment requires a model that is accurate for initiation with complex shock loading; in particular, a pressure decreasing gradient behind a curved lead shock. This is more difficult than calibrating to the standard SDT experiments which are 1-D and driven by a sustained shock. Simulations of the gap-stick experiment for PBX 9501 with the SURF model will be discussed in a subsequent report.

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

Optimization of artificial viscosity in production codes based on Gaussian Regression surrogate models

To accurately model flows with shock waves using staggered-grid Lagrangian hydrodynamics, artificial viscosity has to be introduced to convert kinetic energy into internal energy, thereby increasing the entropy across shocks. Determining the appropriate strength of the artificial viscosity is an art and strongly depends on the particular problem and experience of the researcher. The objective of this study is to pose the problem of finding the appropriate strength of artificial viscosity as an optimization problem and solve this problem using machine learning (ML) tools, specifically using surrogate models based on Gaussian Process regression and Bayesian analysis. We describe the optimization method and discuss various practical details of its implementation. The shock-containing problems for which we apply this method all have been implemented in the LANL code FLAG. First, we apply ML to find optimal values to isolated shock problems of different strengths. Second, we apply ML to optimize viscosity for a 1D propagating detonation problem based on Zel’dovich-von Neumann-Doring (ZND) detonation theory using a reactive burn model. We compare results for default (currently used values in FLAG) and optimized values of artificial viscosity for these problems demonstrating the potential for significant improvement in the accuracy of computations.

42 ENGINEERING↗
DOE OSTI2023

Pinwheel Experiment Confirmatory Shot 1 Pre-Shot Report

The purpose of this experimental series is to validate the reactive burn model in the PAGOSA hydrodynamic code. It will also help validate the EOS and Strength models for the aluminum and tantalum cylinders. C4 high explosive (HE) is used to drive an aluminum cylinder into an aluminum sandwiched PBX-9501. The follow-on experiment will drive the aluminum cylinder into a tantalum sandwiched PBX-9501. The experiment will provide time of arrival (TOA) data for the burn front in the HE through the metal cylinders using Fiber Bragg Gratings (FBG). Photon Doppler Velocimetry (PDV) will provide shock wave TOA and the velocity of the inward moving cylinder. The PAGOSA code will be used to predict TOA and cylinder wall velocity using PDV and tracers.

42 ENGINEERING↗
DOE OSTI2023

Notes on Davis EOS: Historical Perspective, Derivations & Physical Considerations

Davis reactant and product semi-empirical EOS have been introduced in a series of publications by W. C. Davis. These EOS are convenient to use in conjunction with reactive burn models to parameterize the thermodynamic response of quiescent high explosives (HE) and the mixture of HE decomposition products. There is a history of development of these EOS with different formulae and functional forms found in different papers. The goal of the present notes is to track that history, clarify the physical motivation behind various modifications to Davis EOS over time, and collect all the relevant formulae in one place.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Pinwheel Experiment Tantalum Shot 1 Pre-Shot Report

The purpose of this experimental series is to validate the reactive burn model in the PAGOSA hydrodynamic code. It will also help validate the EOS and Strength models for the aluminum and tantalum cylinders. C4 high explosive (HE) is used to drive an aluminum cylinder into a tantalum sandwiched PBX‐9501. The experiment will provide time of arrival (TOA) data for the burn front in the HE through the metal cylinders using Fiber Bragg Gratings (FBG). Photon Doppler Velocimetry (PDV) will provide shock wave TOA and the velocity of the inward moving cylinder. The PAGOSA code will be used to predict TOA and cylinder wall velocity using PDV and tracers.

36 MATERIALS SCIENCE↗
NASA NTRS1992

MSATT Workshop on Chemical Weathering on Mars

The topics covered with respect to chemical weathering on Mars include the following: Mars soil, mineralogy, spectroscopic analysis, clays, silicates, oxidation, iron oxides, water, chemical reactions, geochemistry, minerals, Mars atmosphere, atmospheric chemistry, salts, planetary evolution, volcanology, Mars volcanoes, regolith, surface reactions, Mars soil analogs, carbonates, meteorites, and reactivity.

Burns, Roger↗
NASA NTRS1980

Burning-to-violent-reaction transitions in explosions

In a program to study fragment initiation of cased propellants and explosives, it was found that one area of extreme importance is that of the cased reactive-material burning reactions triggered by the perforation of the case by an impacting fragment. Once the reaction is started, the importance of the impactor decreases, and the sequence of events is controlled by the burning properties of the reactive material, its physical condition, and the nature of the confinement. A brief history of the results obtained by previous investigators is presented along with a discussion of variations in experimental results caused by geometrical changes in the test configurations. Changes in interpretations of the results are discussed. Results of recent confined-burn tests with Composition B, PBXC-116, PBXC-117, and Destex are presented, including results of metallurgical examination of the confined fragments. These examinations indicate a transition to a violent reaction which is not a detonation, although it produces many effects that resemble a detonation.

Graham, K. J.↗
NASA NTRSDate not supplied

In Situ Measurements of Ammonia In Plumes Emitted From Wildfires And Agricultural Fires in the US

Emissions of trace gases and particles from fires have a major impact on climate, visibility, air quality, and public health. Biomass burning emissions include reactive nitrogen gases, among which ammonia (NH3) plays a prominent role. NH3 is a short-lived gas that acts as precursor for secondary inorganic aerosols. This process is still poorly constrained in downwind fire plumes. In summer 2019, NASA and NOAA carried out the joint airborne FIREX-AQ (Fire Influence on Regional to global Environments and Air Quality) mission over the continental US to sample plumes from wildfires and agricultural fires. On board the NASA DC-8, we used a modified PTR-ToF-MS instrument for measuring NH3 in situ and at high time resolution. Over the course of the mission, we collected a large set of NH3 data in plumes emitted from fires differing in fuel type and burning stage. Herein, we will present the measured NH3 emissions ratios and factors, compare them with the literature, and investigate the dependence of NH3 emissions on fuel type and burning conditions.

ammonia↗
DOE OSTI2020

Predicting the effects of thermally-induced density gradients on the hydrodynamic behavior of PBX 9502

High explosives are often exposed to thermal and mechanical stimuli within normal and abnormal environments. These stimuli can introduce density gradients in the explosive charge but the effect of such gradients is not well-understood. The goal of this work is to develop a comprehensive methodology to model the evolution of density gradients under various thermal conditions and then to predict shock initiation and detonation behavior of the gradated sample. PBX 9502 was chosen for these scoping studies because it has a large coefficient of thermal expansion and because the available shock initiation data indicates that initial temperature strongly affects the shock-to-detonation transition (SDT). The multiphysics code COMSOL was first used to model induced density gradients in a slab of PBX 9502 with asymmetric heating. Then, the gradated sample was constructed in the Pagosa hydrocode to simulate steel flyer impact scenarios, with SDT and detonation propagation following a calibrated Scaled Uniform Reactive Front (SURF) burn model. Furthermore, the gradated material exhibited very different initiation and corner turning behavior compared to homogeneous materials, and the orientation of the gradation was also found to have some effect. The methodology used here can estimate thermomechanical response of the material for non-uniform thermal environments and compute the resulting detonation properties of the PBX.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Numerical modeling of plasma assisted deflagration to detonation transition in a microscale channel

Here, this work numerically studies the plasma assisted deflagration to detonation transition (DDT) of H 2 /O 2 mixtures in a microscale channel with detailed chemistry and transport. The results show that the DDT onset time is non-monotonically dependent on the discharge pulse number. The DDT is accelerated with small pulse numbers, whereas retarded with large ones. Two different DDT regimes, respectively at a small and large plasma discharge number, via acoustic choking of the burned gas and plasma-enhanced reactivity gradient without acoustic choking, are observed. Without plasma discharge, pronounced pressure and temperature gradients in front of the flame are generated by acoustic compression after the choking of the burned gas, triggering DDT via autoignition. With small plasma pulse numbers, the plasma-generated species enhance the ignition kinetics and lead to an increased reactivity in the boundary layer. After the choking of the burned gas, the plasma-enhanced reactivity advances the sequence of autoignition near the wall, strengthens ignition-shock wave coupling, and accelerates DDT. However, with a large discharge pulse number, a direct autoignition initiating DDT can occur without the acoustic choking of the burned gas due to the strongly accelerated reactivity and elevated temperature. In this case, DDT onset is retarded because the elevated temperature increases sonic velocity and the increased reactivity accelerates fuel oxidation in front of the flame, decelerating the formation of a leading shock and subsequent pressure buildup ahead of the flame. The present modeling reveals that no matter with or without plasma discharge, DDT is initiated by autoignition in thermal, pressure, and reactivity gradient fields via the Zel'dovich gradient mechanism. The acoustic choking of the burned gas may not be the necessary condition of DDT with strong plasma-enhanced reactivity gradient. This work provides an answer to the experimentally observed non-monotonic DDT onset time by plasma, which provides guidance to control DDT in advanced detonation engines and fire safety of hydrogen-fueled catalytic reactors in microchannels by non-equilibrium plasma discharge.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1996

Chemical Characteristics of Continental Outflow Over the Tropical South Atlantic Ocean from Brazil and Africa

The chemical characteristics of air parcels over the tropical South Atlantic during September - October 1992 are summarized by analysis of aged marine and continental outflow classifications. Positive correlations between CO and CH3CL and minimal enhancements of C2CL40, and various ChloroFluoroCarbon (CFC) species in air parcels recently advected over the South Atlantic basin strongly suggest an impact on tropospheric chemistry from biomass burning on adjacent continental areas of Brazil and Africa. Comparison of the composition of aged Pacific air with aged marine air over the South Atlantic basin from 0.3 to 12.5 km altitude indicates potential accumulation of long-lived species during the local dry season. This may amount to enhancements of up to two-fold for C2H6, 30% for CO, and 10% for CH3Cl. Nitric oxide and NO(x) were significantly enhanced (up to approx. 1 part per billion by volume (ppbv)) above 10 km altitude and poorly correlated with CO and CH3Cl. In addition, median mixing ratios of NO and NO(x) were essentially identical in aged marine and continental outflow air masses. It appears that in addition to biomass burning, lightning or recycled reactive nitrogen may be an important source of NO(x) to the upper troposphere. Methane exhibited a monotonic increase with altitude from approx. 1690 to 1720 ppbv in both aged marine and continental outflow air masses. The largest mixing ratios in the upper troposphere were often anticorrelated with CO, CH3Cl, and CO2, suggesting CH, contributions from natural sources. We also argue, based on CH4/CO ratios and relationships with various hydrocarbon and CFC species, that inputs from biomass burning and the northern hemisphere are unlikely to be the dominant sources of CO, CH4 and C2H6 in aged marine air. Emissions from urban areas would seem to be necessary to account for the distribution of at least CH4 and C2H6. Over the African and South American continents an efficient mechanism of convective vertical transport coupled with large-scale circulations conveys biomass burning, urban, and natural emissions to the upper troposphere over the South Atlantic basin. Slow subsidence over the eastern South Atlantic basin may play an important role in establishing and maintaining the rather uniform vertical distribution of long-lived species over this region. The common occurrence of values greater than 1 for the ratio CH3OOH/H2O2 in the upper troposphere suggests that precipitation scavenging effectively removed highly water soluble gases (H2O2, HNO3, HCOOH, and CH3COOH) and aerosols during vertical convective transport over the continents. However, horizontal injection of biomass burning products over the South Atlantic, particularly water soluble species and aerosol particles, was frequent below 6 km altitude.

Talbot, R. W.↗
NASA NTRS1999

Investigation of Diffusion Flame Tip Thermodiffusive and Hydrodynamic Instability under Microgravity Conditions

We employ the opposed flow flame-spread configuration in order to examine flame-front instability of diffusion flames near cold, solid boundaries. The thermo-diffusive and hydrodynamic instabilities can transform an initially planar flame front into an irregularly curved, corrugated, possibly fragmented front. Under ordinary 1-g conditions, the buoyancy-induced flow masks the thermo-diffusive and hydrodynamic instabilities and produces planar flames. Such stable spreading flames have been observed for decades in laboratory experiments. Experiments in zero gravity are necessary to produce unstable flame fronts. The thermo-diffusive/hydrodynamic microgravity instability appears in diffusion flames such as, for example: the candle flame oscillations observed by Dietrich et al.; smolder instabilities on a recent Space Shuttle flight. Drs. T. Kashiwagi and S. Olson have attributed the latter to a lowered oxygen transport rate to the hot, reactive surface. Consider a burning surface near the flame extinction limit. The flow, or stretch, induced by the diffusion flame is weak, hence buoyancy plays a small role, thereby enabling previously secondary mechanisms, such as differential thermo-diffusion, to become the most important mechanisms. The flame leading edge becomes unstable; and diffusion flame breakup, oscillation, and rejoining all occur at a measurable frequency of approximately O(1 Hz). This project has only begun in January of this year, 1999. To date, there have been no flight experiments on flame spread instabilities. However, we have made numerous experiments in the NASA 2.2 and 5 second drop towers on flame spread over very thin cellulosic fuels. We have been very fortunate through a combination of factors, to be explained, to obtain some interesting, perhaps even compelling, results on diffusion flame instability in the presence of heat losses to cold surfaces.

Wichman, I. S.↗