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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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215 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Post-Shot Report for OMEGA Double Cylinders (CylDRT 22B)

The direct-drive double cylinder experimental platform is a high-energy-density (HED) science platform designed to image an imploding cylindrical target. The target consists of a directly-driven outer cylinder and a shock-and-collision driven inner cylinder. The purpose of this platform is to study hydrodynamic instability growth on the inner cylinder, the outer surface of which is classically Rayleigh-Taylor unstable during the acceleration phase. We present results from recent experiments at the OMEGA laser facility. These experiments were designed as a proof-of-principle for the platform, using the same cylinder exterior dimensions and direct-drive beam configuration as previous single cylinder experiments. In these experiments, three sets of targets were fielded: no machined perturbations (smooth), a sinusoidal mode-10 perturbation on the outer surface of the inner cylinder, and a mode-20 perturbation on the outer surface of the inner cylinder. The primary diagnostic was a gated x-ray framing camera which imaged the backlit inner cylinder on-axis for sixteen frames over a time window of 1 ns for each shot. A second side-lit radiograph captured one image per shot, diagnosing axial uniformity. In this report we include an overview of the results from both the backlighter and the sidelighter diagnostics. We discuss at length the experimental analysis process. Finally, we present the results of the smooth target implosion trajectory and compare them to post-shot simulations. We see favorable agreement between simulation and experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Oxidation of an iso-paraffinic alcohol-to-jet fuel and n-heptane mixture: an experimental and modelling study

Oxidation of ATJ/n-heptane blends was studied over a wide range of test conditions, using single pulse shock tubes. Test conditions were designed to study the effect of pressure (4 and 50 bar), and fuel loading (~100-1400 ppm) on the oxidation of the blends across a wide range of temperatures (800-1300 K). These effects were observed by measuring concentrations of intermediate species formed using in-line Gas Chromatography (GC) and GCxGC TOF-MS. Results showed that increasing the initial fuel load does not have a significant impact on the results. However, increasing the pressure shifts the mixture reactivity to a lower temperature by about 150 K and causes the fuel to be oxidized instead of decomposing pyrolytically as at lower pressures. Additional experiments for pure ATJ and pure n-heptane were performed at conditions matching the ATJ/n-heptane 50 bar experiments to analyze the differences between the pure and mixed fuels. Speciation measurements were compared against predictions from a detailed kinetic model. The ability of the kinetic model to capture the effects of varying experimental test conditions on the evolution of intermediate species is discussed and kinetic analyses have been conducted to identify the important reaction pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

When high-energy-density materials are subjected to thermal or mechanical insults at extreme conditions (shock loading), a coupled response between the thermo-mechanical and chemical behaviors is systematically induced. Herein we develop a reaction model for the fast chemistry of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) at the mesoscopic scale, where the chemical behavior is determined by underlying microscopic reactive simulations. The slow carbon cluster formation is not discussed in the present work. All-atom reactive molecular dynamics (MD) simulations are performed with the ReaxFF potential, and a reduced-order chemical kinetics model for TATB is fitted to isothermal and adiabatic simulations of single crystal chemical decomposition. Unsupervised machine learning techniques based on non-negative matrix factorization are applied to MD trajectories to model the decomposition kinetics of TATB in terms of a four-component model. The associated heats of reaction are fit to the temperature evolution from adiabatic decomposition trajectories. Using a chemical species analysis, we show that non-negative matrix factorization captures the main chemical decomposition steps of TATB and provides an accurate estimation of their evolution with temperature. The final analytical formulation, coupled to a diffusion term, is incorporated into a continuum formalism, and simulation results are compared one-to-one against MD simulations of 1D reaction propagation along different crystallographic directions and with different initial temperatures. A good agreement is found for both the temporal and spatial evolution of the temperature field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Implementation of compound refractive lenses for large field-of-view x-ray phase-contrast imaging during hypervelocity impact experiments

Synchrotron x-ray phase-contrast imaging (XPCI) offers time-resolved visualization of dynamic compression phenomena, but its intrinsically small field-of-view (FOV) limits the time that key features remain in frame. A novel approach to enlarge the FOV is achieved by positioning a two-dimensional parabolic compound refractive lens (CRL) upstream of the sample to deliberately defocus the white beam. Ray-tracing simulations and XPCI measurements show that this CRL configuration can expand the beam by ∼50% vertically and ∼15% horizontally based on the full width at half-maximum of the beam. Implementing the CRL, however, attenuates the photon flux and lowers signal-to-noise ratio (SNR). Task-based analysis using a calibration grid (30 μm dots) showed that both setups fail to consistently meet the Rose criterion (SNR ≥ 5) for features of this size in single-bunch imaging. Extrapolating the measured SNR Rose values suggests that the minimum consistently detectable feature lies closer to 30–40 μm for the standard XPCI setup and above 40 μm for CRL-XPCI. Despite this limitation, the CRL configuration nearly doubles the illuminated area, enabling simultaneous tracking of front and rear observations of boron carbide targets subjected to rod and sphere impacts at 1.0–2.6 km/s. Image tracking algorithms and photonic Doppler velocimetry were used to measure penetration and rear-surface velocity histories. Together, these measurements capture crack fronts, penetration, and material breakout, offering new benchmark data for validating high-strain-rate constitutive models of ceramic materials.

Ceramic materials↗
DOE OSTI2023

Three-dimensional Dynamics of Strongly Twisted Magnetar Magnetospheres: Kinking Flux Tubes and Global Eruptions

Abstract The origins of the various outbursts of hard X-rays from magnetars (highly magnetized neutron stars) are still unknown. We identify instabilities in relativistic magnetospheres that can explain a range of X-ray flare luminosities. Crustal surface motions can twist the magnetar magnetosphere by shifting the frozen-in footpoints of magnetic field lines in current-carrying flux bundles. Axisymmetric (2D) magnetospheres exhibit strong eruptive dynamics, i.e., catastrophic lateral instabilities triggered by a critical footpoint displacement of ψ crit ≳ π . In contrast, our new three-dimensional (3D) twist models with finite surface extension capture important non-axisymmetric dynamics of twisted force-free flux bundles in dipolar magnetospheres. Besides the well-established global eruption resulting (as in 2D) from lateral instabilities, such 3D structures can develop helical, kink-like dynamics, and dissipate energy locally (confined eruptions). Up to 25% of the induced twist energy is dissipated and available to power X-ray flares in powerful global eruptions, with most of our models showing an energy release in the range of the most common X-ray outbursts, ≲10 43 erg. Such events occur when significant energy builds up while deeply buried in the dipole magnetosphere. Less energetic outbursts likely precede powerful flares, due to intermittent instabilities and confined eruptions of a continuously twisting flux tube. Upon reaching a critical state, global eruptions produce the necessary Poynting-flux-dominated outflows required by models prescribing the fast radio burst production in the magnetar wind—for example, via relativistic magnetic reconnection or shocks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Gravitational-wave signature of core-collapse supernovae

Here, we calculate the gravitational-wave (GW) signatures of detailed 3D core-collapse supernova sim ulations spanning a range of massive stars. Most of the simulations are carried out to times late enough to capture more than 95% of the total GW emission. We find that the f/g-mode and f-mode of proto-neutron star oscillations carry away most of the GW power. The f-mode frequency inex orably rises as the proto-neutron star (PNS) core shrinks. We demonstrate that the GW emission is excited mostly by accretion plumes onto the PNS that energize modal oscillations and also high frequency (“haze”) emission correlated with the phase of violent accretion. The duration of the major phase of emission varies with exploding progenitor and there is a strong correlation between the total GW energy radiated and the compactness of the progenitor. Moreover, the total GW emissions vary by as much as three orders of magnitude from star to star. For black-hole formation, the GW signal tapers off slowly and does not manifest the haze seen for the exploding models. For such failed models, we also witness the emergence of a spiral shock motion that modulates the GW emission at a frequency near ~100 Hertz that slowly increases as the stalled shock sinks. We find significant angular anisotropy of both the high- and low-frequency (memory) GW emissions, though the latter have very little power.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Implicit-explicit Runge-Kutta for radiation hydrodynamics I: Gray diffusion

Radiation hydrodynamics are a challenging multiscale and multiphysics set of equations. To capture the relevant physics of interest, one typically must time step on the hydrodynamics timescale, making explicit integration the obvious choice. On the other hand, the coupled radiation equations have a scaling such that implicit integration is effectively necessary in non-relativistic regimes. A first-order Lie-Trotter-like operator split is the most common time integration scheme used in practice, alternating between an explicit hydrodynamics step and an implicit radiation solve and energy deposition step. However, such a scheme is limited to first-order accuracy, and nonlinear coupling between the radiation and hydrodynamics equations makes a more general additive partitioning of the equations non-trivial. Here, we develop a new formulation and partitioning of radiation hydrodynamics with gray diffusion that allows us to apply (linearly) implicit-explicit Runge-Kutta time integration schemes. In conclusion, we prove conservation of total energy in the new framework, and demonstrate 2nd-order convergence in time on multiple radiative shock problems, achieving error 3–5 orders of magnitude smaller than the first-order Lie-Trotter operator split at the hydrodynamic CFL, even when Lie-Trotter applies a 3rd-order TVD Runge-Kutta scheme to the hydrodynamics equations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Design and modeling of indirectly driven magnetized implosions on the NIF

The use of magnetic fields to improve the performance of hohlraum-driven implosions on the National Ignition Facility (NIF) is discussed. The focus is on magnetically insulated inertial confinement fusion, where the primary field effect is to reduce electron-thermal and alpha-particle loss from the compressed hotspot (magnetic pressure is of secondary importance). We summarize the requirements to achieve this state. The design of recent NIF magnetized hohlraum experiments is presented. These are close to earlier shots in the three-shock, high-adiabat (BigFoot) campaign, subject to the constraints that magnetized NIF targets must be fielded at room-temperature, and use ≲1 MJ of laser energy to avoid the risk of optics damage from stimulated Brillouin scattering. We present results from the original magnetized hohlraum platform, as well as a later variant that gives a higher hotspot temperature. In both platforms, imposed fields (at the capsule center) of up to 28 T increase the fusion yield and hotspot temperature. Integrated radiation-magneto-hydrodynamic modeling with the Lasnex code of these shots is shown, where laser power multipliers and a saturation clamp on cross-beam energy transfer are developed to match the time of peak capsule emission and the P2 Legendre moment of the hotspot x-ray image. The resulting fusion yield and ion temperature agree decently with the measured relative effects of the field, although the absolute simulated yields are higher than the data by 2.0−2.7×. The tuned parameters and yield discrepancy are comparable for experiments with and without an imposed field, indicating the model adequately captures the field effects. Self-generated and imposed fields are added sequentially to simulations of one BigFoot NIF shot to understand how they alter target dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

On the importance of three-dimensional modeling for high-energy-density physics experiments

Laser-driven cylindrical implosion experiments enable direct measurements of hydrodynamic instability growth in convergent geometries, providing a wealth of validation data in the high-energy-density regime. These experiments are designed to be nearly axially invariant, allowing for modeling with complementary two-dimensional slices of the cylinder. Two distinct hydrodynamics codes are employed to model a subset of these experiments, and the results are shown to be in very good agreement with each other and the available experimental data. While this 2D modeling approach adequately captures most of the physics of the implosion and ensuing instability growth, there are crucial aspects from the three-dimensional nature of the experiments that are missed in 2D. The first fully 3D simulations of these experiments are presented, and small but significant differences are found to arise from both the axial and azimuthal non-uniformity in the laser drive. Recent experimental results confirming the drive asymmetry are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Discoveries in Blast-Driven Turbulence of Astrophysical Relevance

The fluid mixing caused by variable-density instabilities is important in a wide variety of scenarios from ocean mixing and astrophysical phenomena to nuclear fusion techniques and atomic weapons. This thesis explores the mixing resulting from a specific instability known as the Blast Driven Instability (BDI). This work investigates the variable density mixing in an explosively driven environment due to the fluid instabilities at the material interfaces. Specifically, diverging Richtmyer-Meshkov (impulsive-acceleration environment) and Rayleigh-Taylor (variable-acceleration environment) instabilities (present in supernova and inertial confinement fusion) are studied using advanced high-speed diagnostics in carefully designed laboratory experiments. The BDI morphology is presented through a time development of Mie scattering images, and steps through the parameter space (varying density ratio and driver speed), highlighting the development of the structures that form during mixing. A scaling criterion is used to relate the two systems of vastly different spatiotemporal scales. Velocity fields in the BDI have been captured for the first time using the high temporal resolution PIV technique. Subsequent analysis of the dynamics of the instability from the velocity fields illustrates the distribution of kinetic energy, the transition to turbulence, and the characteristic growth of the instability are discussed. This study furthers understanding of how blast-driven instability pertains to supernova and inertial confinement fusion science. The morphology of the BDI has been characterized for the first time. This work steps through the parameter space covered in Mie scattering experiments, and how the different parameters contribute to development of structures and mixing. It also examines a scaling of the Atwood number for expanding predictive capabilities to other experimental conditions and simulations. The first collection of velocity fields acquired for the BDI are recorded, and subsequent analysis evaluating the distribution of kinetic energy throughout space and time for two density ratios from the overall parameter space, as well as the transition to turbulence, estimated from a Reynolds number calculated based on momentum mixing are all presented. This information is useful in advancing the development of models to predict physics of high energy density applications where experiments are not always readily available. This research has successfully demonstrated understanding for the time criteria defining regimes where the shock driven (Richtmyer-Meshkov instability) and the buoyancy driven (Rayleigh-Taylor instability) dominates through a parametric study of density variation (Atwood number) and driver speed (Mach number). All this furthers understanding of how the BDI pertains to SN and ICF.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

A point-particle-based hydride shell-shedding model for ejecta particle transport in reactive environments

A shock wave passing over a rough or perturbed metal surface will induce a limiting case of Richtmyer–Meshkov instability and will cause small particles to eject from the surface and transport into the surrounding medium. These particles are known as ejecta and can be either solid or liquid in nature. Recent experiments have shown that liquid cerium ejecta clouds exhibit unexpected non-monotonic acceleration behaviors as well as temperature plateaus after a brief temperature rise if they are transporting in a chemically reactive, hydrogen-based medium while they act as expected in an inert medium. This work details a point-particle model developed for reactive cerium ejecta transport, which attempts to account for these new physics through the behavior of a developing solid hydride shell, which is believed to form as a product of the reaction. The overall model incorporates the effects of the reaction on the particle properties as well as the effects of potential shedding of the shell into sub-micrometer scale flakes and potential phase change of the hydride if the ejecta particles reach the melt point of the hydride layer. The model is tested by performing simulations of the original motivating experiments and comparing quantities, such as ejected mass, velocimetry, and temperature profiles, against the experimental data. While the model is able to capture many general features of the observed anomalies, some inaccuracies still exist. These point to both missing physics in the model (such as a deuterium adsorption mechanism on the hydride layer) as well as a lack of knowledge of certain material properties (such as the strength of cerium hydride to determine dynamic fracture thicknesses) needed to fully reduce the uncertainties in the model by up to an order of magnitude and perform a true attempt at model validation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A comparison of smartphone and infrasound microphone data from a fuel air explosive and a high explosive

For prompt detection of large (>1 kt) above-ground explosions, infrasound microphone networks and arrays are deployed at surveyed locations across the world. Denser regional and local networks are deployed for smaller explosions, however, they are limited in number and are often deployed temporarily for experiments. With the expanded interest in smaller yield explosions targeted at vulnerable areas such as population centers and key infrastructures, the need for more dense microphone networks has increased. An “attritable” (affordable, reusable, and replaceable) and flexible alternative can be provided by smartphone networks. Explosion signals from a fuel air explosive (thermobaric bomb) and a high explosive with trinitrotoluene equivalent yields of 6.35 and 3.63 kg, respectively, were captured on both an infrasound microphone and a network of smartphones. The resulting waveforms were compared in time, frequency, and time-frequency domains. The acoustic waveforms collected on smartphones produced a filtered explosion pulse due to the smartphone's diminishing frequency response at infrasound frequencies (<20 Hz) and was found difficult to be used with explosion characterization methods utilizing waveform features (peak overpressure, impulse, etc.). However, the similarities in time frequency representations and additional sensor inputs are promising for other explosion signal identification and analysis. As an example, a method utilizing the relative acoustic amplitudes for source localization using the smartphone sensor network is presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

CISME report on experiments with HMX powder, PBX 9501 prills, and heated PBX 9501

The ability to predict post-ignition explosive response is relevant to explosives safety, particularly weapons assembly/disassembly operations that must operate under a sufficiently conservative safety basis to meet risk mitigation criteria for inadvertent nuclear detonation (IND). In particular, hazard determinations hinge on whether the PBX 9501 main charge can ultimately attain detonation from an initial, non-shock, ignition stimulus. The CISME experiment uses a spherical explosive charge, which is thermally ignited in the center using a fiber-delivered infrared laser pulse. This ignition mechanism - i.e. a localized thermal hotspot - is representative of the ignition-causing insults typical in accident scenarios, including low-velocity impact, drop, skid, and punch events. In fiscal year 2018 CISME experiments were conducted with pristine PBX 9501 spheres, confined and unconfined. Sub-detonative, low-violence reactions were observed. Here we report experiments conducted since 2018. The explosive charge was varied: experiments were conducted with room temperature pour-density HMX powder and prills of PBX 9501, and heated, thermally damaged PBX 9501. Experiments were conducted in a confined configuration, with two 4 mm-thick stainless-steel hemispherical shells bolted around the sphere. Detonation, via DDT (deflagration-to-detonation transition) was observed in the 3-inch diameter powdered HMX and the 6-inch diameter heated and thermally-damaged PBX 9501 tests. No transition to DDT was observed in smaller diameters for those configurations, and no DDT was observed for pour-density prills of PBX 9501 of any diameter. The original test series demonstrated that the response of pristine, undamaged PBX 9501 to a central ignition is relatively benign. This new test series shows that increased porosity, lack of polymer binders and thermal damage can greatly increase the violence of the post-ignition response, up to and including detonation. These results bridge the explosive response of PBX 9501 from sub-detonative through detonation as a function of diameter and provide valuable test cases for modeling efforts that strive to capture the DDT threshold. By exploring explosive response in a more representative 3D geometry, we can also benchmark these new results to more plentiful DDT datasets generated from testing in 1D tube confinement (the historical test configuration)–the configuration upon which almost all DDT models were developed.

42 ENGINEERING↗
DOE OSTI2025

A database and meta-analysis on the performance of exploding pusher implosions conducted at OMEGA

A database of 222 exploding pusher implosions conducted at the OMEGA Laser Facility is presented. The dataset consists of glass-shell capsules filled with varying pressures of D 2 , T 2 , and 3 He, which were imploded using square laser pulses with intensities ranging from 1 to 1 × 10 15 W/cm 2 . The database includes measurements of bang times, ion temperatures, and yields from the DD, D 3 He, and DT fusion reactions. A semi-analytic exploding pusher model is introduced, which effectively captures the observed trends in the data. This model predicts that the measurements scale according to a power-law relation based on the initial capsule and laser conditions. A generalized power-law scaling relation is directly fit to each dataset, providing a useful interpolation of the entire database. Overall, the database provides a valuable resource to estimating bang times, temperatures, and yields for the design of future experiments. Additionally, it provides a diverse set of data for validating more advanced implosion physics models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A surprising proliferation of detwinning in β -tin at extreme loading rates

Integrating data from dynamic compression experiments of condensed matter across three national laboratories has led to insight and quantitative calibration of materials strength over decades of loading rate. For many materials, a single strength model (such as PTW) is sufficient to capture the flow-stress strain rate relationship which is monotonic. Here, we show here that β -tin, a tetragonal metal, exhibits dramatic deviations from this behavior. Naive fitting to a single PTW model is insufficient to capture the behavior; indeed, such resulting inferred flow stress versus strain exhibits a non-monotonic behavior. We suggest a resolution to this by proposing that in β -tin there are important Bauschinger effects arising from favorable conditions for twinning and detwinning. A simple yield surface model when paired with PTW hardening captures the experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2020

RELAP-7 Application and Enhancement for FLEX Strategies and ATF Behavior under Extended Loss of AC Power Conditions

This report summarizes the results of a three-year research project sponsored by the U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) to enhance and apply the RELAP-7 code by adding and improving several important components (e.g., a mechanistic Reactor Core Isolation Cooling (RCIC) system model) for thermal hydraulic studies of LWRs under ELAP conditions and evaluating the time available for transition to portable FLEX equipment. The project team included University of Massachusetts–Lowell, The Ohio State University, Texas A&M University, Idaho National Laboratory and Oak Ridge National Laboratory. In the Fukushima accident, it was found that the RCIC system played a crucial role in delaying core meltdown by almost three days in Fukushima Daiichi Unit 2, because of self-regulated operation of the steam driven RCIC turbine-pump injection system. Steam flow in the convergent-divergent nozzles of the RCIC Terry turbine is two-phase non-equilibrium transonic flow with homogenous nucleation condensation. To more accurately predict the dynamic process and behavior of the transonic compressible steam flow, a one-dimensional transient two-phase analytical model is presented. A simplified four-fluid model was employed in the present work with the consideration of four separate fluid fields: vapor, liquid film, entrained droplets and condensed droplets. The mass, momentum and energy interactions between the fluids were considered and modeled. An extended seven-equation non-equilibrium critical flow model was developed to obtain the critical pressure and velocities of each phase at the nozzle throat. To predict the wetness in the divergent section, a mechanistic nucleation condensation model was integrated in the nozzle analysis model, considering the generation and consequent growth of droplets. The governing differential equations on a staggered grid were discretized using the second-order Lax-Wendroff scheme with a flux limiter, and the Semi-Implicit Method for Pressure-Linked Equation (SIMPLE) algorithm was employed to solve the discrete linear system. To demonstrate the predictability and reliability of the physical models and the numerical method proposed in the present work, three representative nozzles were modeled and simulated. The results show good agreement with the available experimental data, even for condensation shock. Then, the 1D nozzle model was employed to obtain nozzle flow tables of the Terry turbine nozzle for different working pressures which can cover the operation pressure range of the RCIC system. A mechanistic RCIC turbine-pump system model was developed and implemented in the system code TRACE to simulate dynamic responses of the RCIC system under Beyond Design Basis Accident (BDBA) conditions. The turbine-pump governing equations are based on the control volume approach of the angular momentum balance. The physics based mechanistic RCIC model was developed using the TRACE control system components (i.e., signal variables, control blocks, and tables), and incorporated into a TRACE boiling water reactor (BWR) model. The TRACE model in this report has a detailed nodalization of the reactor pressure vessel (RPV), and all of the major flow paths and system components, including the safety relief valves (SRVs) and the containment suppression pool and drywell. Based on the nozzle flow tables generated from the 1D nozzle model developed, the turbine drive torque can be calculated from table lookup. Since the detailed specifications of the RCIC pump are unavailable, the homologous curves for a Bingham pump were used in the current pump component. A station black-out (SBO) accident test problem was selected to demonstrate the TRACE RCIC model. The short-term SBO simulations were performed for two cladding materials: Zircaloy and FeCrAl, to demonstrate the effect of the accident tolerant fuel cladding on fuel heat-up under BDBA accident conditions. The wetwell plays a vital safety role in SBO and other BWR accident scenarios in that it can reduce containment pressure and supply additional core make-up water. The suppression pool temperature distribution has a very large impact on both RPV and containment pressure. Thus, another novel contribution of the project comes mainly from an improved, systems-level wetwell model which can capture buoyancy-induced thermal stratification effects due to steam injection and condensation. A two-zone stratified wetwell model has been implemented in RELAP-7 and some results from that model are presented. This wetwell model is capable of simulating thermal stratification due to a low steam mass injection rate. With a low mass flow rate, the model assumes that all the steam condenses within the pipe and the resulting plume can be approximated with a purely buoyant, heat-source driven model. The wetwell model developed with these assumptions is adequate to simulate slow transients such as extended SBO transients.

42 ENGINEERING↗
DOE OSTI2021

An experimental and kinetic modeling study of NO x sensitization on methane autoignition and oxidation

An experimental and kinetic modeling study of the influence of NO x (i.e. NO 2 , NO and N 2 O) addition on the ignition behavior of methane/‘air’ mixtures is performed. Ignition delay time measurements are taken in a rapid compression machine (RCM) and in a shock tube (ST) at temperatures and pressures ranging from 900–1500 K and 1.5–3.0 MPa, respectively for equivalence ratios of 0.5–2.0 in ‘air’. The conditions chosen are relevant to spark ignition and homogeneous charge compression ignition engine operating conditions where exhaust gas recirculation can potentially add NO x to the premixed charge. The RCM measurements show that the addition of 200 ppm NO 2 to the stoichiometric CH 4 /oxidizer mixture results in a factor of three increase in reactivity compared to the baseline case without NOx for temperatures in the range 600–1000 K. However, adding up to 1000 ppm N 2 O does not show any appreciable effect on the measurements. The promoting effect of NO 2 was found to increase with temperature in the range 950–1150 K, while the sensitization effect decreases at higher pressures. The experimental results measured are simulated using NUIGMech1.2 comprising an updated NO x sub-chemistry in this work. A kinetic analysis indicates that the competition between the reactions ĊH 3 + NO 2 ↔ CH 3 Ȯ + NO and ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), the former being a propagation reaction and the latter being a termination reaction governs NO x sensitization on CH 4 ignition. Recent calculations by Matsugi and Shiina (A. Matsugi, H. Shiina, J. Phys. Chem. A. 121 (2017) 4218–4224) for the nitromethane formation reaction CH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), together with the recently calculated rate constants for HONO/HNO 2 reactions significantly improve ignition delay time predictions in the temperature range 600–1000 K. Furthermore, the experiments with NO addition reveal a non-monotonous sensitization impact on CH 4 ignition at lower temperatures with NO initially acting as an inhibitor at low NO concentrations and then as a promoter as NO concentrations increase in the mixture. This non-monotonous trend is attributed to the role of the chain-termination reaction ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M) and the impact of NO on the transition to the chain-branching steps CH 2 O + HȮ 2 ↔ HĊO + H 2 O 2 , H 2 O 2 (+M) ↔ ȮH + ȮH (+M), HĊO ↔ CO + Ḣ followed by CO + O 2 ↔ CO 2 + Ö and Ḣ + O 2 ↔ Ö + ȮH. NUIGMech1.2 is systematically validated against the new ignition delay measurements taken here together with species measurements and high temperature ignition delay time data available in the literature for CH 4 /oxidizer mixtures diluted with NO 2 /N 2 O/NO and is observed to accurately capture the sensitization trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗