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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 343 records · Page 19

A marching method for calculating line and continuum radiation in high energy flow fields

A method is presented for calculating nongrey radiative fluxes and intensities in a highly ionized, low temperature plasma with extreme line broadening. The method was developed to study radiative heating phenomena in the mass-injected hypersonic shock-layer environments characteristic of outer planet atmospheric entry, although it is not limited to such studies. The radiative properties model assumed local thermodynamic equilibrium and used standard continuum and molecular band models. The atomic line model, however, used a frequency-marching method for the frequency integration, which not only accounted completely for line overlapping (reabsorption) effects, but compared favorably in economy with the best equivalent-width methods. An assessment of hydrogen line-far-wing treatments, with recommendations for engineering models, is also presented.

Bolz, C. W., Jr.↗

Prominence Mass Supply and the Cavity

A prevalent but untested paradigm is often used to describe the prominence-cavity system; the cavity is under-dense because it it evacuated by supplying mass to the condensed prominence. The thermal non-equilibrium (TNE) model of prominence formation offers a theoretical framework to predict the thermodynamic evolutin of the prominence and the surrounding corona. We examine the evidence for a prominence-cavity connection by comparing the TNE model and diagnostics of dynamic extreme ultraviolet (EUV) emission surrounding the prominence, specifically prominence horns. Horns are correlated extensions of prminence plasma and coronal plasma which appear to connect the prominence and cavity. The TNE model predicts that large-scale brightenings will occur in the Solar Dynamics Observatory Atmospheric Imaging Assembly 171 A badpass near he prominence that are associated with the cooling phase of condensation formation. In our simulations, variations in the magnitude of footpoint heating lead to variations in the duration, spatial scale, and temporal offset between emission enhancements in the other EUV bandpasses. While these predictions match well a subset of the horn observations, the range of variations in the observed structures is not captured by the model. We discuss the implications of one-dimensional loop simulations for the three-dimensional time-averaged equilibrium in the prominence and the cavity. Evidence suggests that horns are likely caused by condensing prominence plasma, but the larger question of whether this process produces a density-depleted cavity requires a more tightly constrained model of heating and better knowledge of the associated magnetic structure.

PROMINENCES↗

Grain growth kinetics of the gamma phase metallic uranium

We report metallic uranium is a leading fuel form for sodium cooled fast reactors as an enabling technology of future nuclear energy systems. Mechanistic understanding of fuel behaviors and kinetics under thermodynamic equilibrium and highly non-equilibrium conditions are essential for evaluating fuel performance. It is important to understand and predict the grain and pore evolutions of metallic fuels under thermal and irradiation conditions. However, very limited data are available on the grain growth kinetics and mechanisms of pure gamma phase uranium. In this paper, the pure gamma uranium pellets with different grain structures were fabricated by combining high-energy ball milling and spark plasma sintering. Isothermal annealing tests were performed to investigate the grain growth behavior of the pure gamma phase uranium with different initial grain sizes. A parabolic relationship in grain growth with time was identified for the submicron-sized (374 nm) sample. In contrast, for the nano-sized (137 nm) sample, the grain growth shows a linear relationship with time. The activation energies of grain growth were determined as 199.5 KJ/mol and 80.6 KJ/mol for nano-sized and submicron-sized grain structures, respectively. For the nano-sized sample, the rate-control step of grain growth is dominated by the triple-junction migration, in which the grain boundary triple junction drags the grain growth, leading to a higher activation energy than the bulk diffusion. The dominating mechanism for the submicron-sized sample is grain boundary diffusion. The mechanistic understanding and critical data obtained on the kinetics of pure uranium phases will be useful to evaluate fuel behavior under thermodynamic equilibrium conditions and develop a high fidelity model to predict fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Modeling Cosmic Reionization

The transformation of cold neutral intergalactic hydrogen into a highly ionized warm plasma marks the end of the cosmic dark ages and the beginning of the age of galaxies. The details of this process reflect the nature of the early sources of radiation and heat, the statistical characteristics of the large-scale structure of the Universe, the thermodynamics and chemistry of cosmic baryons, and the histories of star formation and black hole accretion. A number of massive data sets from new ground- and space-based instruments and facilities over the next decade are poised to revolutionize our understanding of primeval galaxies, the reionization photon budget, the physics of the intergalactic medium (IGM), and the fine-grained properties of hydrogen gas in the "cosmic web". In this review we survey the physics and key aspects of reionization-era modeling and describe the diverse range of computational techniques and tools currently available in this field.

79 ASTRONOMY AND ASTROPHYSICS↗

Monte Carlo simulation of the classical two-dimensional one-component plasma

A Monte Carlo simulation, lattice dynamics in the harmonic approximation, and solution of the hypernetted chain equation are used to study the classical two-dimensional one-component plasma. A fluid phase is found for a specified dimensionless quantity, and a solid phase for higher values of this quantity. It is reported that the solid phase shows directional long range order, noting that in the solid phase positional long range order is lost as the thermodynamic limit is approached. Finally, the results of calculations of the thermodynamic functions and one- and two-particle correlation functions are presented.

Gann, R. C.↗

Laser Powered Launch Vehicle Performance Analyses

The purpose of this study is to establish the technical ground for modeling the physics of laser powered pulse detonation phenomenon. Laser powered propulsion systems involve complex fluid dynamics, thermodynamics and radiative transfer processes. Successful predictions of the performance of laser powered launch vehicle concepts depend on the sophisticate models that reflects the underlying flow physics including the laser ray tracing the focusing, inverse Bremsstrahlung (IB) effects, finite-rate air chemistry, thermal non-equilibrium, plasma radiation and detonation wave propagation, etc. The proposed work will extend the base-line numerical model to an efficient design analysis tool. The proposed model is suitable for 3-D analysis using parallel computing methods.

Chen, Yen-Sen↗

Monte Carlo simulation of the classical two-dimensional one component plasma

Monte Carlo simulation, lattice dynamics in the harmonic approximation, and solution of the hypernetted chain equation were used to study the classical two-dimensional one component plasma. The system consists of a single species of charged particles immersed in a uniform neutralizing background. The particles interact via a l/r potential, where r is the two dimensional separation. Equations of state were calculated for both the liquid and solid phases. Results of calculation of the thermodynamic functions and one and two particle correlation functions are presented.

Gann, R. C.↗

Magnetic clouds, helicity conservation, and intrinsic scale flux ropes

An intrinsic-scale flux-rope model for interplanetary magnetic clouds, incorporating conservation of magnetic helicity, flux and mass is found to adequately explain clouds' average thermodynamic and magnetic properties. In spite their continuous expansion as they balloon into interplanetary space, magnetic clouds maintain high temperatures. This is shown to be due to magnetic energy dissipation. The temperature of an expanding cloud is shown to pass through a maximum above its starting temperature if the initial plasma beta in the cloud is less than 2/3. Excess magnetic pressure inside the cloud is not an important driver of the expansion as it is almost balanced by the tension in the helical field lines. It is conservation of magnetic helicity and flux that requires that clouds expand radially as they move away from the Sun. Comparison with published data shows good agreement between measured cloud properties and theory. Parameters determined from theoretical fits to the data, when extended back to the Sun, are consistent with the origin of interplanetary magnetic clouds in solar filament eruptions. A possible extension of the heating mechanism discussed here to heating of the solar corona is discussed.

Kumar, A.↗

Net Shaped Component Fabrication of Refractory Metal Alloys using Vacuum Plasma Spraying

The vacuum plasma spraying (VPS) technique was employed to produce dense and net shaped components of a new tungsten-rhenium (W-Re) refractory metal alloy. The fine grain size obtained using this technique enhanced the mechanical properties of the alloy at elevated temperatures. The alloy development also included incorporation of thermodynamically stable dispersion phases to pin down grain boundaries at elevated temperatures and thereby circumventing the inherent problem of recrystallization of refractory alloys at elevated temperatures. Requirements for such alloys as related to high temperature space propulsion components will be discussed. Grain size distribution as a function of cooling rate and dispersion phase loading will be presented. Mechanical testing and grain growth results as a function of temperature will also be discussed.

Sen, S.↗

Path integral molecular dynamics: A high-fidelity approach to quantum dynamics of electrons

We investigate electron transport in the uniform electron gas using ring-polymer molecular dynamics (RPMD). Working in the weakly coupled, non-degenerate regime, we use RPMD to probe how the onset of quantum diffraction effects at high temperature reshapes electron–electron collisions and leads to a classical-to-quantum crossover in macroscopic transport properties. Static thermodynamics obtained with RPMD are consistent with the weak-coupling equation of state, confirming correct quantum Boltzmann sampling. Real-time transport extracted from mean square displacements exhibits the expected ballistic-to-diffusive transition and a systematic reduction of the electronic self-diffusivity as quantum effects strengthen, due to quantum diffraction modifying electron–electron collisions. Direct ring-polymer scattering simulations reveal diffractive “softening” of binary deflections, providing a micro-to-macro link between collision physics and diffusion. The present study establishes RPMD as a quantitative, trajectory-based tool for electron transport across the classical–quantum crossover and furnishes benchmarks for improving Coulomb-log interpolation models. We outline extensions to multi-component plasmas and a path to incorporate Fermi–Dirac statistics within path-integral dynamics.

Electronic transport↗

Fabrication and thermophysical properties of UO 2 -UB 2 and UO 2 -UB 4 composites sintered via spark plasma sintering

Uranium dioxide (UO 2 ) composites with uranium diboride (UB 2 ) and uranium tetraboride (UB 4 ) have been proposed as advanced fuel candidates due to their high thermal conductivity, high melting point, high fissile density and their ability to incorporate a built-in burnable poison by tailoring the targeted 10 B/ 11 B ratio. As such, it is important to assess the fabrication, and thermal and micromechanical properties of such composites. In this work, UO 2 -UB 2 and UO 2 -UB 4 samples with boride phase fractions of 5, 15 and 30 wt% were fabricated to high densities (above 95 % theoretical density) via spark plasma sintering (SPS). This enabled sintering at relatively low temperatures and short timescales. SPS also aided in maintaining the target phase fractions of the samples as reactions between the constituent phases were suppressed due to the short timescales and reducing environment during sintering. Here, thermal diffusivity measurements from 299 to 1273 K were conducted through laser flash analysis (LFA). The diffusivity increased as a function of boride weight fraction, and UB 2 additions increased the thermal diffusivity of the composites more than UB 4 additions. Assessment of the LFA results indicated in-situ reactions between the UO 2 and boride phases that suppress the thermal diffusivity occur above 800 K for all samples. Oxidation of the boride phase was proposed as the underlying reaction. This was supported by thermodynamic assessments from the literature, as well as microstructural, crystallographic, and nanoindentation characterization performed on these samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electrical double layers at the oil/water interface

This review presents the historical development and current status of the theory of the electrical double layer at a liquid/liquid interface. It gives rigorous thermodynamic definitions of all basic concepts related to liquid interfaces and to the electrical double layer. The difference between the surface of a solid electrode and the interface of two immiscible electrolyte solutions (ITIES) is analyzed in connection to their electrical properties. The most important classical relationships for the electrical double layer are presented and critically discussed. The generalized adsorption isotherm is derived. After a short review of the classical Gouy-Chapman and Verwey-Niessen models, more recent developments of the double layer theory are presented. These include effects of variable dielectric permittivity, nonlocal electrostatics, hydration forces, the modified Poisson-Boltzmann equation and the ion-dipole plasma. The relative merits of different theories are estimated by comparing them with computer simulation of the ITIES and electrical double layer. Special attention is given to the structure of ITIES and its variation due to adsorption of ions and amphiphilic molecules.

Non-NASA Center↗

Simulations of radiatively cooled magnetic reconnection driven by pulsed power

Magnetic reconnection is an important process in astrophysical environments, as it reconfigures magnetic field topology and converts magnetic energy into thermal and kinetic energy. In extreme astrophysical systems, such as black hole coronae and pulsar magnetospheres, radiative cooling modifies the energy partition by radiating away internal energy, which can lead to the radiative collapse of the reconnection layer. In this paper, we perform two- and three-dimensional simulations to model the MARZ (Magnetic Reconnection on Z) experiments, which are designed to access cooling rates in the laboratory necessary to investigate reconnection in a previously unexplored radiatively cooled regime. These simulations are performed in GORGON, an Eulerian two-temperature resistive magnetohydrodynamic code, which models the experimental geometry comprising two exploding wire arrays driven by 20 MA of current on the Z machine (Sandia National Laboratories). Radiative losses are implemented using non-local thermodynamic equilibrium tables computed using the atomic code Spk, and we probe the effects of radiation transport by implementing both a local radiation loss model and P 1/3 multi-group radiation transport. The load produces highly collisional, super-Alfvénic (Alfvén Mach number M A ≈ 1.5), supersonic (Sonic Mach number M S ≈ 4–5) strongly driven plasma flows which generate an elongated reconnection layer (Aspect Ratio L/δ≈100 , Lundquist number S L ≈ 400). The reconnection layer undergoes radiative collapse when the radiative losses exceed the rates of ohmic and compressional heating (cooling rate/hydrodynamic transit rate = τ$^{–1}_{cool}$/τ$^{–1}_{H}$ ≈100); this generates a cold strongly compressed current sheet, leading to an accelerated reconnection rate, consistent with theoretical predictions. Lastly, the current sheet is also unstable to the plasmoid instability, but the magnetic islands are extinguished by strong radiative cooling before ejection from the layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental Investigation of Uranium Volatility during Vapor Condensation

The predictive models that describe the fate and transport of radioactive materials in the atmosphere following a nuclear incident (explosion or reactor accident) assume that uranium-bearing particulates would attain chemical equilibrium during vapor condensation. Here, we show that kinetically driven processes in a system of rapidly decreasing temperature can result in substantial deviations from chemical equilibrium. This can cause uranium to condense out in oxidation states (e.g., UO 3 vs UO 2 ) that have different vapor pressures, significantly affecting uranium transport. To demonstrate this, we synthesized uranium oxide nanoparticles using a flow reactor under controlled conditions of temperature, pressure, and oxygen concentration. The atomized chemical reactants passing through an inductively coupled plasma cool from ~5000 to 1000 K within milliseconds and form nanoparticles inside a flow reactor. The ex situ analysis of particulates by transmission electron microscopy revealed 2–10 nm crystallites of fcc-UO 2 or α-UO 3 depending on the amount of oxygen in the system. α-UO 3 is the least thermodynamically preferred polymorph of UO 3 . The absence of stable uranium oxides with intermediate stoichiometries (e.g., U 3 O 8 ) and sensitivity of the uranium oxidation states to local redox conditions highlight the importance of in situ measurements at high temperatures. Therefore, we developed a laser-based diagnostic to detect uranium oxide particles as they are formed inside the flow reactor. Our in situ measurements allowed us to quantify the changes in the number densities of the uranium oxide nanoparticles (e.g., UO 3 ) as a function of oxygen gas concentration. Our results indicate that uranium can prefer to be in metastable crystal forms (i.e., α-UO 3 ) that have higher vapor pressures than the refractory form (i.e., UO 2 ) depending on the oxygen abundance in the surrounding environment. This demonstrates that the equilibrium processes may not dominate during rapid condensation processes, and thus kinetic models are required to fully describe uranium transport subsequent to nuclear incidents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Comprehensive Review of Latent Space Dynamics Identification Algorithms for Intrusive and Non-Intrusive Reduced-Order-Modeling

Numerical solvers of partial differential equations (PDEs) have been widely employed for simulating physical systems. However, the computational cost remains a major bottleneck in various scientific and engineering applications, which has motivated the development of reduced-order models (ROMs). Recently, machine-learning-based ROMs have gained significant popularity and are promising for addressing some limitations of traditional ROM methods, especially for advection dominated systems. In this chapter, we focus on a particular framework known as Latent Space Dynamics Identification (LaSDI), which transforms the high-fidelity data, governed by a PDE, to simpler and low-dimensional latent-space data, governed by ordinary differential equations (ODEs). These ODEs can be learned and subsequently interpolated to make ROM predictions. Each building block of LaSDI can be easily modulated depending on the application, which makes the LaSDI framework highly flexible. In particular, we present strategies to enforce the laws of thermodynamics into LaSDI models (tLaSDI), enhance robustness in the presence of noise through the weak form (WLaSDI), select high-fidelity training data efficiently through active learning (gLaSDI, GPLaSDI), and quantify the ROM prediction uncertainty through Gaussian processes (GPLaSDI). We demonstrate the performance of different LaSDI approaches on Burgers equation, a non-linear heat conduction problem, and a plasma physics problem, showing that LaSDI algorithms can achieve relative errors of less than a few percent and up to thousands of times speed-ups.

Computational Engineering, Finance, and Science (c↗