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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 OSTI2024

Effect of a collapsing gas bubble on the shock-to-detonation transition in liquid nitromethane

We studied the shock-induced collapse of butane gas bubbles in the homogeneous explosive nitromethane (NM) to investigate the effects of hot spot formation on the detonation process. A butane bubble was injected into a sample of NM, and a shock wave from a flat plate impactor compressed the bubble, creating a localized hot spot. We measured shock and detonation wave speeds with optical velocimetry, and we used a high-speed camera to image the shock propagation and bubble collapse processes. A multiband optical fiber pyrometer measured the time-resolved thermal radiance, and we used the results and emissivity values extracted from spectral fits to estimate temperatures. We measured the characteristics of the shock-to-detonation transition in NM with and without a bubble. All experiments were performed at shock pressures near 8 GPa, where neat NM can detonate. A single bubble in this system was shown to sensitize NM, leading to a reduced run-to-detonation time. We used hydrodynamic modeling to predict shock wave propagation, the extent of chemical reaction, and subsequent temperature rise from the collapsing bubble. We used a temperature-dependent Arrhenius burn model for simulations, and it yielded much better results than reactive burn models that depend only on pressure and density.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Type Ia supernovae deflagration-to-detonation transition explosions powered by the Zel’dovich reactivity gradient mechanism

ABSTRACT Our aim in this work is to identify and explain the necessary conditions required for an energetic explosion of a Chandrasekhar-mass white dwarf. We construct and analyse weakly compressible turbulence models with nuclear burning effects for carbon/oxygen plasma at a density expected for the deflagration-to-detonation transition (DDT) to occur. We observe the formation of carbon deflagrations and transient carbon detonations at early times. As turbulence becomes increasingly inhomogeneous, sustained carbon detonations are initiated by the Zel’dovich reactivity gradient mechanism. The fuel is suitably preconditioned by the action of compressive turbulent modes with wavelength comparable to the size of resolved turbulent eddies; no acoustic wave is involved in this process. Oxygen detonations are initiated, aided either by reactivity gradients or by collisions of carbon detonations. The observed evolutionary time-scales are found to be sufficiently short for the above process to occur in the expanding, centrally ignited massive white dwarf. The inhomogeneous conditions produced prior to the DDT might be of consequence for the chemical composition of the outer ejecta regions of Type Ia supernovae from the single degenerate channel, and offer the potential for validation of the proposed model.

Brooker, E.↗
DOE OSTI2021

Carbon and Hydrocarbon Particle Seeding in Air-Breathing Rotating Detonation Engine

Within the power generation community, the rotating detonation engine (RDE) is only growing in popularity with its increased performance, simple mechanism, and operation. Although significant testing is underway to characterize the RDE for integration with conventional gas turbines, this entire system is still at a relatively low technology readiness level. In the midst of RDE research, there is an initiative to understand solid particle seeding effects in the detonation performance. Under investigation at the University of Central Florida is a Department of Energy (DOE) 15.24 cm (6 in.) RDE, with a solid particle seeder in parallel with its H2 and air flow lines. Previous work on this system involved carbon particle detonation; however, the tested particles were taken one step further to include more sustainable, greener hydrocarbon particles. Testing of powdered sugar, peanut flour, and cornstarch, along with previous carbon black tests have shown not only successful detonability, but a noticeable effect on the detonation wave dynamics. Side-by-side with a particle burning model being developed, an operational map can be determined for the hydrocarbon particles particularly, which can be tuned with the local flow conditions to achieve peak operability while replacing fuels with sustainable alternatives that could even be grown.

Engineering↗
DOE OSTI2019

On The Deflagration to Detonation Transition in 1.65 g cm -3 Pentaerythritol Tetranitrate

The LANL Weapons Response Group is charged with making determinations for a wide range of scenarios regarding the probability that inadvertent ignition of the high explosive (HE) components might cause nuclear yield, or dispersal of special nuclear material, during assembly/disassembly operations at the Pantex Plant. These scenarios are categorized based on the nature of the ignition causing stimulus, i.e. impact, electrostatic discharge, pressure-shear, etc. However, for all of these scenarios, regardless of how ignition is achieved, there must also be a credible path for the burning HE to transition to detonation for yield or dispersal to occur. If it can be determined that there is no feasible path for deflagration-to-detonation transition (DDT), the scenario space that requires mitigative action is greatly reduced. The strategy to support Weapons Response determinations is to use experimentation and observation to evaluate HE response in severe “overtest” configurations. To increase with confidence in the margins of HE response, these overtests are designed, by controlling parameters known to enhance HE response violence, to be more severe than what is ever encountered in the actual operations environment at the Plant. This study is focused on DDT in pentaerythritol tetranitrate (PETN), a high explosive that is used in LANL’s detonators. PETN is known to be able to DDT at certain densities, and this represents a safety concern. The PETN in LANL’s detonators is commonly a density of 1.65 g cm -3 . However, DDT has never been observed at this density in PETN. In this work, we studied the DDT reaction in 1.65 g cm -3 PETN to determine whether DDT is possible at this density, and if so, what length of PETN is required for the transition to occur. In any of the tests conducted, we did not observe DDT in 1.65 g cm -3 PETN. It is possible that the DDT length for 1.65 g cm -3 PETN is greater than 6” (the available run length in the experiments), but this length is simply not available in a detonator, and is therefore not a concern.

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

Experimental Measurements of NOx Emissions in a Rotating Detonation Engine

An experimental study of NOx emissions in a rotating detonation engine is presented in this paper. Rotating detonation engines produce a pressure gain in the combustion process which leads to increased efficiency compared to conventional constant pressure, deflagration based combustion. However, in order for rotating detonation engines to become a viable alternative to conventional combustion, they must meet NOx emissions regulations. Emissions from rotating detonation engines are not currently well understood. A parametric study was performed to determine time averaged NOx emissions in a rotating detonation engine over a range of operating conditions. The effects of inlet pre-heat, equivalence ratio, flow rate, and fuel composition are investigated.

Ferguson, Donald↗
DOE OSTI2022

The Impact of Resolution on Double-detonation Models for Type Ia Supernovae

Abstract Thermonuclear supernovae are the result of the violent unbinding of a white dwarf (WD), but the precise nature of the explosion mechanism(s) is a matter of active debate. To this end, several specific scenarios have been proposed to explain the observable traits of Type Ia supernovae. A promising pathway is the double-detonation scenario, where a WD accretes a shell of helium-rich material from a companion and a detonation in the resulting helium shell is the primary cause of the explosion. Through a set of two-dimensional grid-based simulations of this scenario we clearly distinguish three phases of evolution: external helium-rich detonation, core compressive heating, and a final core carbon burn. Though final disruption of the whole system is achieved at all resolutions, only models with minimum resolutions of 4 km and better exhibit all three phases. Particularly, core compression detonation is only observed for higher resolutions, producing qualitatively different nucleosynthetic outcomes. We identify the effect of finer spatial resolution on the mixing of hot silicon at the interface between the detonating helium layer and the underlying C/O WD as a primary driver of these dynamic differences.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2023

Predicting EBW detonator failure using DSC data

Exploding bridgewire detonators (EBWs) containing pentaerythritol tetranitrate (PETN) exposed to high temperatures may not function following discharge of the design electrical firing signal from a charged capacitor. Knowing functionality of these arbitrarily facing EBWs is crucial when making safety assessments of detonators in accidental fires. Orientation effects are only significant when the PETN is partially melted. Here, the melting temperature can be measured with a differential scanning calorimeter. Nonmelting EBWs will be fully functional provided the detonator never exceeds 406 K (133 °C) for at least 1 h. Conversely, EBWs will not be functional once the average input pellet temperature exceeds 414 K (141 °C) for a least 1 min which is long enough to cause the PETN input pellet to completely melt. Functionality of the EBWs at temperatures between 406 and 414 K will depend on orientation and can be predicted using a stratification model for downward facing detonators but is more complex for arbitrary orientations. A conservative rule of thumb would be to assume that the EBWs are fully functional unless the PETN input pellet has completely melted.

42 ENGINEERING↗
DOE OSTI2022

Potassium carbonate decomposition modeling within rotating detonation engines for direct power extraction applications

We report that recently, there has been a significant interest in detonation-based combustion systems, such as rotating detonation engines (RDE), due to potential performance advantages in propulsion and energy applications. This includes improvements in thermodynamic efficiency, inherently high gas velocities, and the possibility of achieving an increase in total pressure (i.e. pressure gain) through the combustion process. Due to approximating a constant volume combustion process, these devices also tend to exhibit extremely high local gas temperatures relative to a comparable constant pressure combustor. These advantages overlap well with desirable performance characteristics of direct power extraction (DPE) technologies, such as a magnetohydrodynamic (MHD) generator. Typically, in DPE systems hot combustion products are seeded with an easily ionizable material such as potassium carbonate (K 2 CO 3 ) in order to boost the electrical conductivity. However, due to the short gas residence times within an RDE, it was unclear whether forming an electrically conductive combustion plasma would be feasible for integration with a downstream MHD generator. A model is presented which describes the heating, decomposition, and ionization of solid K 2 CO 3 particles and aqueous solutions of K 2 CO 3 in water, for a given initial particle diameter. This model was combined with available computational fluid dynamics (CFD) data for an oxygen-methane RDE in a one-way coupled Eulerian-Lagrangian framework to predict particle trajectories and the corresponding heating, decomposition, and ionization histories. Electrical conductivities were computed using a previously developed model, and a method was proposed to determine an equivalent average electrical conductivity. Results show that particle sizes below ~30 µm are able to fully decompose before reaching the exit of the RDE. While the one-way coupled nature of the simulations precluded rigorous evaluation of the effects of seed material on detonability, a substantial temperature reduction is expected at the detonation wave front due to heating and decomposition. A preliminary comparison is presented between the RDE and an equivalent constant pressure adiabatic combustor, showing a potential performance advantage for the RDE.

42 ENGINEERING↗
DOE OSTI2022

Effects of non-thermal termolecular reactions on detonation development in hydrogen (H 2 )/methane (CH 4 ) - air mixtures

The binary fuel blend of H 2 /CH 4 is one of the most promising hydrogen-enriched hydrocarbon fuels in spark-ignition (SI) engines. Yet, the undesirable phenomenon of super-knock, which can severely and in-stantaneously damage an SI engine, limits its widespread adoption. Moreover, there is still a lack of con-sensus on the precise mechanism by which this phenomenon occurs i.e. via flame acceleration or spon-taneous ignition, despite numerous previous investigations. At the same time, recent studies [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078 -1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515-522] have demonstrated a high probability of occurrence of non-thermal reactions in premixed flames of such H 2 /CH 4 fuel blends with air due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 . The present study focuses on the evolution of an initial deflagration front to a detonation wave in H 2 /CH 4 - air mixtures under SI engine relevant conditions through fully resolved, constant volume 1D simulations with and without non-thermal reactivity. Non-thermal reactions were included in the macroscopic kinetics model as chemically termolecular reactions facilitated by the H + CH 3 and H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Further, the nonthermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions. Therefore, an additional set of simulations were performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515-522]. Compared to the baseline case, the onset of spontaneous ignition in the end-gas region was observed to be delayed in the presence of non-thermal termolecular reactions. Concurrently, the developing detonation was observed to be significantly stronger. In contrast, applying corrections to the recombi-nation/association rate constants resulted in a completely different behavior. Specifically, detonation was observed to occur due to self acceleration of the primary flame in the absence of spontaneous ignition in the end-gas region. Sensitivity analysis was performed to quantify the effects of non-thermal reactions on the duration of heat release rate and thereby the mechanism of detonation formation. In addition, chemical explosive mode analysis (CEMA) was performed to identify the dominant species/reactions re-sponsible for the observed results.

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

Detailed chemistry modeling of rotating detonations with dilute n -heptane sprays and preheated air

Utilization of liquid fuels is crucial to enabling commercialization of rotating detonation engines (RDE) in the near future. In this study, Eulerian-Lagrangian simulations are conducted for rotating detonative combustion with dilute n-heptane sprays and preheated air. Two-dimensional flattened configuration is used and a skeletal chemical mechanism with 44 species and 112 elementary reactions for n-heptane combustion is adopted. The flow structure, droplet distribution, and thermochemical parameters in the refill zone are first analyzed. It is shown that the mixture in the refill zone is heterogeneous, including evaporating droplets, vapor, and air. When the total temperature is below 950 K, the average equivalence ratio increases with the total temperature. When it is higher than 950 K, the average equivalence ratio is almost constant. Subsequently, the chemical explosive mode analysis is applied to identify the controlling reactions and dominant combustion modes in the fuel refill zone and reaction fronts. Results demonstrate that the initiation reaction (R104: n-C 7 H 16 + O 2 2-C 7 H 15 + HO 2 ) and low-temperature reaction (R107: RO 2 R'O 2 H) are dominant in the upstream and downstream of the refill zone, respectively. The intermediate species from low-temperature chemistry, R'O 2 H, is found to be important for the chemical explosive mode in the undetonated mixture. The influence of species diffusion and dispersed droplets is further analyzed. Results show that vapor autoignition facilitated by droplet evaporation occurs in the refill zone. Finally, the effects of the air total temperature on the detonation propagation speed and RDE propulsion performance are investigated. Further, it is found that the detonation propagation speed and specific impulse increase with air total temperature. The total pressure ratio first increases and then decreases as the air total temperature increases. Moreover, when the total temperature of the preheated air is above 1,300 K, the effects of low-temperature chemistry are negligible.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

HMX detonation calculation using multi-reaction chain

Detonation of HMX has been simulated using a multi-reaction chain and species equation-of-states. A reacting flow code capable of handling arbitrary number of reactions and species has been used. Computational results are compared to the results produced by a pressure-based single reaction model (AJEX) and a temperature-based single-reaction model. Results show that the multi-reaction approach is capable of producing detonation calculations comparable to the AJEX model calculations, demonstrating that the multi-reaction approach possesses the properties required for the detonation modeling, a prerequisite of deflagration-to-detonation transition modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Concept of Dynamic Heat Insulation for Rotating Detonation Engines

This work introduces a new class of materials concept to dynamically reduce instantaneous heat fluxes in Rotating Detonation Engine (RDE) combustor chamber walls. The high-frequency and high-amplitude surface heat fluxes observed in RDEs arise from large instantaneous temperature differences between the detonation shockwave and chamber wall surface. These temperature gradients drive substantial energy loss and reduce the chamber gas pressure, ultimately limiting the cycle’s thermodynamic efficiency. This work introduces a concept for dynamically insulating the combustion chamber surfaces using surface layers or coatings with low thermal time scale. With such coatings, the surface temperature may follow the fluctuations of the cyclic detonation wave temperature, thus reducing the instantaneous heat flux therefore cycle-mean heat flux. To analyze these cyclic thermal phenomena, a one-dimensional analytical conduction solver was utilized with the capability to handle multilayered structures. Parametric modeling was performed using transient heat flux boundary conditions representative of a hydrogen–air RDE across a broad range of coating thermal properties and engine conditions. The coating effectiveness scaled with the product of thermal time constant and detonation wave frequency and the results were non-dimensionalized to guide future materials development. This strategy may offer benefits in increasing material survivability, reducing cooling requirements, and enhancing pressure gain.

heat transfer↗
DOE OSTI2019

Characterization of high-explosive detonations using broadband infrared external cavity quantum cascade laser absorption spectroscopy

Infrared laser absorption spectroscopy provides a powerful tool for probing physical and chemical properties of high explosive detonations. A broadly-tunable swept-wavelength external cavity quantum cascade laser (ECQCL) operating in the mid-wave infrared (MWIR) spectral region is used to measure transmission through explosive fireballs generated from 14 g charges of 4 different explosive types detonated in an enclosed chamber. Analysis of time-resolved transmission and emission at a 2 µs sampling rate shows the evolution of fireball infrared opacity in the first 10 ms after detonation. Broadband high-resolution absorption spectra acquired over the spectral range 2050-2300 cm -1 (4.35-4.88 µm) at a 100 Hz rate are used to measure properties of fireball evolution over longer time scales out to 100 s. Path-integrated concentrations of combustion products CO, CO 2 , H 2 O, and N 2 O are measured and show evolutions over multiple time scales and significant differences between explosive types. Spectral analysis is used to characterize gas temperature and to measure broadband attenuation from absorption and scattering of particulates. In conclusion, analysis of the results provides information on the MWIR optical properties, gaseous detonation/combustion products, and particulates throughout the explosive process including initial detonation, fireball expansion and cooling, and diffusive mixing in the chamber.

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

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Laser absorption measurements of temperature, pressure, CO, and CO 2 at near-MHz rates in post-detonation fireballs with comparison to synthetic measurements

A laser absorption spectroscopy (LAS) diagnostic was used to obtain measurements of temperature, pressure, CO, and CO 2 at 500 kHz or 1 MHz in post-detonation fireballs produced by hemispherical samples of pentaerythritol tetranitrate (PETN). A quantum-cascade laser was scanned over multiple CO absorption transitions near 2008.5 cm −1 at 1 MHz, while an interband-cascade laser was scanned over a CO 2 absorption transition near 2394.8 cm −1 at 500 kHz. Light from each laser was combined onto a single path and passed through a detonation chamber approximately 83 mm above the 12-mm diameter hemispherical PETN charge. The CO and CO 2 absorption signals were post-processed to obtain time histories of temperature, pressure, species column pressures (P CO L, P CO2 L), and species column mole fractions (X CO L, X CO2 L). Additionally, schlieren imaging was performed simultaneously at 500 kHz to aid interpretation of the LAS measurements. Experimental and synthetic (i.e., CFD based) LAS measurements were compared to evaluate the accuracy of the CFD model and its ability to model the turbulent afterburning of the detonation products in air. In general, the experimental measurements exhibit reasonable agreement with the synthetic measurements at early times; thereby supporting the accuracy of the CFD model. Periods of disagreement between experimental and synthetic measurements at later times are most likely due to a reflected shock and detonator cavity jetting, which are not accounted for in the CFD model.

Schwartz, Charles J. [Purdue Univ., West Lafayette↗
DOE OSTI2021

A Geometrical Feature of a Travelling Concave Detonation Front

Experiments show that when two HE materials placed adjacently, a fast-propagating detonation in one of the HE regions can sometimes initiate a detonation in the other HE. Direct numerical simulations support this phenomenon. Let A and B stand for the two HE materials. In a typical case, the driving detonation in HE A has a propagation speed faster than the CJ velocity in HE B, and the induced detonation in HE B is necessarily concave.

97 MATHEMATICS AND COMPUTING↗
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↗