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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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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Ultrafast spectroscopic studies of vibrational energy transfer in energetic materials

Shock-induced detonation is a key property of energetic materials (EM) that remains empirically understood. One proposed mechanism of shock-initiation in EM is “phonon up-pumping” to initiate chemical reactions, where excitation of lattice phonon modes rapidly transfers energy into intramolecular vibrations, ultimately resulting in the breaking of chemical bonds. We are developing novel ultrafast laser spectroscopy techniques to study vibrational energy transfer from phonon modes to intramolecular vibrations (phonon up-pumping), as well as competing energy transfer pathways from intramolecular vibrations to phonon modes (vibrational cooling). Through combinations of plasma- generated supercontinuum infrared, tunable near- and mid-infrared, and terahertz pulses in pump-probe spectroscopy, supplemented with ab inito simulations, we can explore the energy transfer processes on a sub-picosecond time scale to elucidate vibrational energy transfer pathways and lifetimes in EM. In this work, we highlight recent progress, including the spectral and temporal characteristics of the infrared and THz sources as well as preliminary results on select EM.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A reactive flow model for the 3,3'-diamino-4,4'-azoxyfurazan based plastic bonded explosive (PBX 9701)

Here, this paper describes the calibration of the Arrhenius Wescott–Stewart–Davis (AWSD) reactive flow model for the recently developed high explosive PBX 9701, which consists of 97% 3,3'-diamino-4,4'-azoxyfurazan (DAAF) and 3% FK-800 binder by weight. DAAF-based explosive formulations have several desirable qualities as they are relatively insensitive to non-shock insults but have higher performance than triaminotrinitrobenzene based formulations. Equations of state for the explosive reactants and products are calibrated using a combination of existing and new experimental data and theoretical calculations. The AWSD rate law calibration utilizes both one-dimensional shock-to-detonation and multidimensional rate stick experiments to capture the shock initiation and propagating detonation regimes. Validation of the calibrated model is demonstrated through comparison with recent gas-gun experiments.

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

Toward a machine-guided approach to energetic material discovery

In this article, we trained a machine learning (ML) model to connect microstructural details of an energetic material formulation to its performance for the purpose of guiding the discovery of new explosive formulations. Our hypothesis was that the algorithm would robustly learn the training data and produce an accurate surrogate model. Specifically, the algorithm learned the relationship between details of the void size distribution (VSD), initiating shock pressure, and the energetic material performance. We used realistic constraints on the VSD and a range of cases were ingested by a physically informed reactive flow model working within a hydrodynamic solver running on high-performance computing resources. The ML algorithm produced a surrogate model that accurately predicted known test points around the parameter space. In addition to the utility of the model and the process used for its development, we noted interesting comparisons between what we, the authors—subject matter experts, would heuristically conclude from the training data and the surrogate model predictions. We detected nuanced details that were missed by the surrogate model; however, these details are not important to an energetic material formulator. We concluded that the algorithm did indeed robustly learn the training data and produce an accurate surrogate model. We further concluded that the surrogate model is a powerful tool to guide the formulator in the absence of subject matter experts and limited-access computing resources.

42 ENGINEERING↗
DOE OSTI2022

Modeling atomically mixed graded density impactors

Graded density impactors (GDIs) are multi-material composite impactors used in gas gun experiments to tailor the drive conditions imparted to a sample test material. Previous graded density impactors generally rely on thin, but discrete, layers of different materials. The thinner and the greater number of layers will result in smoother compression. Taken to the limit of very thin layers would be pure material 1 at one surface, such as the front surface of an impactor, smoothly transitioning at the atomic scale to pure material 2 on the back surface. Such an impactor can initially shock, then smoothly compresses a material during a dynamic experiment. This type of experiment can serve to explore a larger region of thermodynamic space than a single or even multi-shock experiments. An overview of how graded density impactors are made is reviewed and sample results are given. Additionally, a strategy for modeling these kinds of impactors is presented. The length scales of constituent mixing are given from the experimental build through electrochemical-deposition. Equation of state models for pure constituents and their subsequent mixtures are presented. It is demonstrated that the time scales for pressure and temperature equilibration, for atomically mixed GDIs, are short enough to be a justifiable closure for the resulting multiphase flow. Furthermore, we present simulation results of dynamic shock followed by a ramp compression, utilizing a silver/gold graded density impactor, onto a tantalum sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Fast imaging of laser ablation of cerium: Dependence of plasma plume dynamics and structure on native oxide growth

We have imaged the evolution of plasma following nanosecond pulsed laser ablation of cerium in air with sub-10 ns resolution. We find the ablated plasma plume expansion and shape to be strongly dependent on the time after mechanical polishing of the sample surface. After an initial shock front common to both new and aged samples (velocities up to 16 km s ₋1 ), we observe a second front that is relatively localized to the surface vicinity of newly polished samples, but in the case of older samples it moves outward at velocities of up to 4 km s ₋1 . We attribute this behavior to the formation and growth of a native oxide layer on the order of hours after polishing. These results demonstrate that plasma imaging can be used to diagnose the presence of, and evaluate the extent of, thin surface oxides or other compounds that form soon after exposure to some atmosphere. These findings also highlight the need to explicitly consider the presence of such overlayers when modeling laser/metal interaction, when making measurements of vapor phase chemistry, and when analyzing the composition, phase, and morphology of solid particulates formed after the ablation of reactive metals.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Laser-driven ramp-compression experiments on the national ignition facility

This report details the analyses and related uncertainties in measuring longitudinal-stress–density paths in indirect laser-driven ramp equation-of-state (EOS) experiments. Experiments were conducted at the National Ignition Facility (NIF) located at the Lawrence Livermore National Laboratory. The NIF can deliver up to 2 MJ of laser energy over 30 ns and provide the necessary laser power and control to ramp compress materials to TPa pressures (1 TPa = 10 × 10 6 atmospheres). These data provide low-temperature solid-state EOS data relevant to the extreme conditions found in the deep interiors of giant planets. In these experiments, multi-stepped samples with thicknesses in the range of 40–120 µm experience an initial shock compression followed by a time-dependent ramp compression to peak pressure. Interface velocity measurements from each thickness combine to place a constraint on the Lagrangian sound speed as a function of particle velocity, which in turn allows for the determination of a continuous stress–density path to high levels of compressibility. In this report, we present a detailed description of the experimental techniques and measurement uncertainties and describe how these uncertainties combine to place a final uncertainty in both stress and density. Here, we address the effects of time-dependent deformation and the sensitivity of ramp EOS techniques to the onset of phase transformations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

A platform for planar dynamic compression of crystalline hydrogen toward the terapascal regime

Here we describe a method for laser-driven planar compression of crystalline hydrogen that starts with a sample of solid para-hydrogen (even-valued rotational quantum number j) having an entropy of 0.06 k B /molecule at 10 K and 2 atm, with Boltzmann constant k B . Starting with this low-entropy state, the sample is compressed using a small initial shock (<0.2 GPa), followed by a pressure ramp that approaches isentropic loading as the sample is taken to hundreds of GPa. Planar loading allows for quantitative compression measurements; the objective of our low-entropy compression is to keep the sample cold enough to characterize crystalline hydrogen toward the terapascal range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hybrid target design for imprint mitigation in direct-drive inertial confinement fusion

A target design for mitigating the Rayleigh-Taylor instability is proposed for use in high energy density and direct-drive inertial confinement fusion experiments. In this scheme, a thin gold membrane is offset from the main target by several-hundred microns. A strong picket on the drive beams is incident upon this membrane to produce x rays which generate the initial shock through the target. The main drive follows shortly thereafter, passing through the ablated shell and directly driving the main target. The efficacy of this scheme is demonstrated through experiments performed at the OMEGA EP facility, showing a reduction of the Rayleigh-Taylor instability growth which scales exponentially with frequency, suppressing development by at least a factor of 5 for all wavelengths below 100 μm. Furthermore, this results in a delay in the time of target perforation by ~40%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Dependence of Enstrophy Transport and Mixed Mass on Dimensionality and Initial Conditions in the Richtmyer–Meshkov Instability Induced Flows

Here we present a comparative study of the enstrophy budget and mixed mass between two- and three-dimensional flows induced by Richtmyer–Meshkov instability (RMI). Specifically, the individual contributions to the enstrophy budget due to the production from baroclinicity and from vortex stretching (which vanishes in two-dimensional (2D) flow) are delineated. This is enabled by a set of two- and three-dimensional computations at Atwood 0.5 having both narrow- and broad-band perturbations. A further three-dimensional (3D) computation is conducted at Atwood 0.9 using an identical narrowband perturbation to the Atwood 0.5 case to examine the sensitivity to density ratio. The mixed mass is also considered with the goal to obtain insight on how faithfully a simplified calculation performed in two dimensions can capture the mixed mass for an inertial confinement fusion (ICF) or other practical application. It is shown that the late time power law decay of variable density enstrophy is substantially different in two and three dimensions for the narrowband initial perturbation. The baroclinic production term is negligible in three dimensions (aside from the initial shock interaction), as vortex stretching is larger by two orders of magnitude. The lack of vortex stretching considerably reduces the decay rate in both narrowband and broadband perturbations in two dimensions. In terms of mixed mass, the lack of vortex stretching reduces the mixed mass in two dimensions compared to three in all cases. In the broadband cases, the spectral bandwidth in the 2D case is wider; hence, there is a longer time period of sustained linear growth which reduces the normalized mixed mass further.

42 ENGINEERING↗
DOE OSTI2020

Detonation performance experiments and modeling for the DAAF-based high explosive PBX 9701

Detonation performance experiments and modeling are reported for the explosive PBX 9701, which is composed of 97% 3,3$\acute{-}$diamino-4,4$\acute{-}$azoxyfurazan (DAAF) and 3% vinylidene uoride-chlorotriuoroethylene copolymer (Kel-F 800) binder by weight. PBX 9701 is a newly-developed reducedsensitivity explosive with increased performance relative to the triaminotrinitrobenzene or TATB-based PBX 9502 while still retaining low sensitivity to mechanical insult. The first detonation performance measurements for this formulation are presented, including front-curvature ratesticks and cylinder expansion test data. Prior shock initiation data is also reviewed. These data are used to develop programmed burn and reactive flow calibrations for existing commonly-used performance models which allow engineering calculations with PBX 9701. The calibration process involves several enhancements relative to conventional approaches including the use of an analytical scaling correlation to speed the calibration process and development of a new methodology to improve the consistency between the programmed burn and reactive model calibration process and the resulting calculations. Overall, PBX 9701 is seen to exhibit improved performance relative to insensitive explosives, with a trinitrotoluene (TNT) equivalence of 1.24. The detonation performance properties are found to be well captured by existing models.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Comments on the SURFplus reactive burn model

The SURFplus reactive burn model is intended for heterogeneous solid HE that produce an excess amount of carbon. It utilizes a fast hotspot reaction (SURF model) plus a second slow reaction for the energy release from carbon clustering. The fast reaction dominates shock initiation, though the fast rate parameters are slightly affected by the late energy release from the slow reaction. The slow reaction has a significant affect on propagating detonation waves. Propagating detonation waves are characterized by the curvature effect; i.e., detonation speed $D_n$ as function of the local front curvature κ. The $D_n(κ)$ curves have a qualitative different shape. This results from the sensitivity of the slope of the $D_n(κ)$ curve to the reaction-zone width up to the sonic point, and the sonic point moving as κ increases from the end of the slow reaction to the neighborhood of the end of the fast reaction. For PBX 9502, the steep slope for small curvature is determined by the slow reaction, while the lower slope for larger curvature is determined by the fast reaction rate in the high detonation pressure regime. The remainder of this paper is organized as follows. In section 2 we review the assumptions of the Shaw and Johnson carbon cluster model used by the SURFplus model for the slow reaction. Section 3 describes in detail the mixture model for a partly burned HE. The form of the slow rate used by the SURFplus model is described in section 4. We conclude with a brief discussion of applying a burn model with 2 rates to either a metalized or a composite PBX.

42 ENGINEERING↗
NASA NTRS1976

Solution of a large hydrodynamic problem using the STAR-100 computer

A representative hydrodynamics problem, the shock initiated flow over a flat plate, was used for exploring data organizations and program structures needed to exploit the STAR-100 vector processing computer. A brief description of the problem is followed by a discussion of how each portion of the computational process was vectorized. Finally, timings of different portions of the program are compared with equivalent operations on serial machines. The speed up of the STAR-100 over the CDC 6600 program is shown to increase as the problem size increases. All computations were carried out on a CDC 6600 and a CDC STAR 100, with code written in FORTRAN for the 6600 and in STAR FORTRAN for the STAR 100.

Weilmuenster, K. J.↗
NASA NTRS1976

Wind laws for shockless initialization

A system of diagnostic equations for the velocity field, or wind laws, was derived for each of a number of models of large-scale atmospheric flow. The derivation in each case is mathematically exact and does not involve any physical assumptions not already present in the prognostic equations, such as nondivergence or vanishing of derivatives of the divergence. Therefore, initial states computed by solving these diagnostic equations should be compatible with the type of motion described by the prognostic equations of the model and should not generate initialization shocks when inserted into the model. Numerical solutions of the diagnostic system corresponding to a barotropic model are exhibited. Some problems concerning the possibility of implementing such a system in operational numerical weather prediction are discussed.

Ghil, M.↗
NASA NTRS1977

Atmospheric model development in support of SEASAT. Volume 5: Test results with fine-mesh (187 by 187 by 10) model

A model (187 x 187 grid with ten layers) was used to produce a 24 hour forecast using initial conditions for 1200Z, 20 May 1976. This forecast was compared to its five layer counterpart on the 187 x 187 grid and to its 63 x 63 coarse mesh counterpart having the same number of layers. Increases in horizontal resolution lead to significant differences in a one day forecast. Many of these differences represent improvements. Increases in vertical resolution tend to produce smaller impacts on the forecast, except in the region near and above the tropopause. The effect on forecast precipitation is in the 10-20% range, as opposed to the 100% for increases in the horizontal resolution. With respect to model energetics (kinetic energy; square vorticity; square divergence), the model tend to group according to horizontal resolution. The time variations of these parameters show that dynamic initialization is needed to: (1) minimize initialization shock; and (2) stabilize the model context to prevent wash-out of small scale information during the adjustment period (first 6-12 forecast hours).

Kesel, P. G.↗
NASA NTRS1978

Shock tube and shock wave research; Proceedings of the Eleventh International Symposium, University of Washington, Seattle, Wash., July 11-14, 1977

Papers are presented on the applications of shock-wave technology to the study of hydrodynamics, the use of the pressure-wave machine for charging diesel engines, and measurements of the heat-transfer rate in gas-turbine components. Consideration is given to shock propagation along 90-degree bends, the explosive dissemination of liquids, and rotational and vibrational relaxation behind weak shock waves in water vapor. Shock phenomena associated with expansion flows are described and stratospheric-related research using the shock tube is outlined. Attention is given to shock-wave ignition of magnesium powders, Mach reflection and boundary layers, and transition in the shock-induced unsteady boundary layer on a flat plate. Shock-tube measurements of induction and post-induction rates for low-Btu gas mixtures are presented and shock-initiated ignition in COS-N2O-Ar mixtures is described. Cluster growth rates in supersaturated lead vapor are presented and a study of laser-induced plasma motion in a solenoidal magnetic field is reviewed.

Ahlborn, B.↗
NASA NTRS1984

Systematic optimization of a detailed kinetic model using a methane ignition example

An approach to the systematic optimization of a large-scale dynamic model is proposed which consists in parameterization of simulation results as response surfaces. The optimization procedure is carried out using a second-order orthogonal design. The approach proposed here is demonstrated by an example involving the shock-initiated ignition of methane.

Frenklach, M.↗
NASA NTRS1991

An evaluation of three two-dimensional computational fluid dynamics codes including low Reynolds numbers and transonic Mach numbers

Full-potential, Euler, and Navier-Stokes computational fluid dynamics (CFD) codes were evaluated for use in analyzing the flow field about airfoils sections operating at Mach numbers from 0.20 to 0.60 and Reynolds numbers from 500,000 to 2,000,000. The potential code (LBAUER) includes weakly coupled integral boundary layer equations for laminar and turbulent flow with simple transition and separation models. The Navier-Stokes code (ARC2D) uses the thin-layer formulation of the Reynolds-averaged equations with an algebraic turbulence model. The Euler code (ISES) includes strongly coupled integral boundary layer equations and advanced transition and separation calculations with the capability to model laminar separation bubbles and limited zones of turbulent separation. The best experiment/CFD correlation was obtained with the Euler code because its boundary layer equations model the physics of the flow better than the other two codes. An unusual reversal of boundary layer separation with increasing angle of attack, following initial shock formation on the upper surface of the airfoil, was found in the experiment data. This phenomenon was not predicted by the CFD codes evaluated.

Hicks, Raymond M.↗