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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Machine Learning Accelerates Innovation in Perovskite Manufacturing Scale-up (Final Technical Report (FTR))

We propose to address the challenge of the vast parameter space associated with perovskite manufacturing optimization, by developing a machine learning (ML)-assisted optimization framework for a scalable perovskite PV manufacturing tool. This framework will be interpretable, sequential, and rapidly adaptable to upgraded systems (e.g., via transfer learning). The tool is an open-air rapid spray plasma process (RSPP) of perovskite films, which has already been established at Stanford and is a unique platform to test and deploy the proposed ML-guided framework because the RSPP technique is able to conduct optimization experiments with a high throughput, and easily adjust a wide range of process variables.

14 SOLAR ENERGY↗
DOE OSTI2020

First Global Images of Ion Energization in the Terrestrial Foreshock by the Interstellar Boundary Explorer

The Interstellar Boundary Explorer (IBEX) mission provides global energetic neutral atom (ENA) observations from the heliosphere and the Earth's magnetosphere, including spatial, temporal, and energy information. IBEX views the magnetosphere from the sides and almost always perpendicular to noon-midnight plane. We report the first ENA images of the energization process in the Earth's ion foreshock and magnetosheath regions. We show ENA flux and spectral images of the dayside magnetosphere with significant energization of ENA plasma sources (above ~2.7 keV) in the region magnetically connected to the Earth's bow shock (BS) in its quasi-parallel configuration of the interplanetary magnetic field (IMF). We also show that the ion energization increases gradually with decreasing IMF-BS angle, suggesting more efficient suprathermal ion acceleration deeper in the quasi-parallel foreshock.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Kinetic simulation study of magnetized collisionless shock formation on a terawatt laser system

Perpendicular, magnetized, collisionless shocks in hydrogen and neon plasmas are studied with 2-D particle-in-cell simulations for parameters accessible to experiments on OMEGA EP. The simulations are performed with realistic ion-electron mass ratios by which the relative importance of different micro-instabilities can be accurately captured. The dispersion relation of the modified two-stream instability (MTSI), the main dissipation mechanism for these shocks, is used to find suitable parameters for upcoming experiments. Simulations show that magnetized collisionless shocks can be readily formed within a few tenths of an ion gyro-period in both hydrogen and neon gases, with a background magnetic field of 50 T, achievable using the magneto-inertial fusion electrical discharge system (MIFEDS). Here, a portion of the ions are reflected to the upstream region and accelerated in both shock normal and tangential directions, indicating the formation of a supercritical shock. Shock front reformation is seen in longer time 1-D simulations. The results show that the formation time and width of these shocks are determined by MTSI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Effects of surface vacancy-adatom pair formation on PFC tungsten surface morphological response

Abstract We report a simulation study of the effect of He-irradiation-induced surface vacancy-adatom pair formation on the surface morphological evolution of plasma-facing component (PFC) tungsten and examine a number of factors that impact such evolution. Our analysis is based on self-consistent dynamical simulations according to an atomistically-informed, continuum-scale surface evolution model that has been developed following a hierarchical multiscale modeling strategy and can access the spatiotemporal scales of relevance to fuzz formation. The model accounts for the flux of surface adatoms generated as a result of the surface vacancy-adatom pair formation effect upon He implantation, which contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. We have carried out atomic-scale computations of optimal diffusion pathways along and across island step edges on the W(110) surface and calculated Ehrlich–Schwoebel (ES) barriers in adatom diffusion along and across such step edges. This aspect of surface adatom diffusion contributes to anisotropic surface atomic fluxes, terrace and step diffusive currents, and has been incorporated into our PFC surface evolution model, which predicts the formation of preferentially aligned nanoridge stripe patterns on the PFC surface. We establish that these anisotropic diffusive currents accelerate nanotendril growth on the PFC surface and the onset of surface nanostructure pattern formation. We also explore systematically the dependence of the PFC surface morphological response on the surface temperature and He ion incident flux, characterize in detail the resulting surface topographies and growth kinetics, and compare the predicted surface morphologies with experimental observations. Our simulation predictions for the emerging surface nanostructure patterns under certain plasma exposure conditions are consistent with experimental findings in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gauge-invariant gravitational waves in matter beyond linearized gravity

Modeling the propagation of gravitational waves (GWs) in media other than vacuum is complicated by the gauge freedom of linearized gravity in that, once nonlinearities are taken into consideration, gauge artifacts can cause spurious acceleration of the matter. To eliminate these artifacts, we propose how to keep the theory of dispersive GWs gauge-invariant beyond the linear approximation and, in particular, obtain an unambiguous gauge-invariant expression for the energy–momentum of a GW in a dispersive medium. Using analytic tools from plasma physics, we propose an exactly gauge-invariant 'quasilinear' theory, in which GWs are governed by linear equations and also affect the background metric on scales large compared to their wavelength. As a corollary, the gauge-invariant geometrical optics of linear dispersive GWs in a general background is formulated. As an example, we show how the well-known properties of vacuum GWs are naturally and concisely yielded by our theory in a manifestly gauge-invariant form. We also show how the gauge invariance can be maintained within a given accuracy to an arbitrary order in the GW amplitude. These results are intended to form a physically meaningful framework for studying dispersive GWs in matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

MRT 7365: Power flow physics and key physics phenomena

The Z accelerator at Sandia National Laboratories conducts z-pinch experiments at 26 MA in support of DOE missions in stockpile stewardship, dynamic materials, fusion, and other basic sciences. Increasing the current delivered to the z-pinch would extend our reach in each of these disciplines. To achieve increases in current and accelerator efficiency, a fraction of Z’s shots are set aside for research into transmission-line power flow. These shots, with supporting simulations and theory, are incorporated into this Advanced Diagnostics milestone report. The efficiency of Z is reduced as some portion of the total current is shunted across the transmission-line gaps prior to the load. This is referred to as “current loss”. Electrode plasmas have long been implicated in this process, so the bulk of dedicated power-flow experiments are designed to measure the plasma environment. The experimental analyses are enhanced by simulations conducted using realistic hardware and Z voltage pulses. In the same way that diagnostics are continually being improved for sensitivity and resolution, the modeling capability is continually being improved to provide faster and more realistic simulations. The specifics of the experimental hardware, diagnostics, simulations, and algorithm developments are provided in this report. The combined analysis of simulation and data confirms that electrode plasmas have the most detrimental impact on current delivery. Experiments over the last three years have tested the theoretical current-loss mechanisms of enhanced ion current, plasma gap closure, and Hall-related current. These mechanisms are not mutually exclusive and may be coincident in the final feed as well as in upstream transmission lines. The final-feed geometries tested here, however, observe lower-density plasmas without dominant ion currents which is consistent with a Hall-related current. The picture of plasma formation and transport formed from experiment and simulation is informing hardware designs being fielded on Z now and being proposed for the Next-Generation Pulsed Power (NGPP) facility. In this picture, the strong magnetic fields that heat the electrodes above particle emission thresholds also confine the charged particles near the surface. Some portion of the plasmas thus formed is transported into the transmission-line gap under the force of the electric field, with aid from plasma instabilities. The gap plasmas are then transported towards the load by a cross-field drift, where they accumulate and contribute to a likely Hall-related cross-gap current. The achievements in experimental execution, model validation, and physical analysis presented in this report set the stage for continued progress in power flow and load diagnostics on Z. The planned shot schedule for Z and Mykonos will provide data for extrapolation to higher current to ensure the predicted performance and efficiency of a NGPP facility.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Observation and diagnostic application of Kr K-shell emission in magnetized liner inertial fusion experiments at Z

In a series of Magnetized Liner Inertial Fusion (MagLIF) experiments performed at the Z pulsed power accelerator of Sandia National Laboratories, beryllium liners filled with deuterium gas pressures in the 4–8 atm range and a tracer amount of krypton were imploded. At the collapse of the cylindrical implosion, temperatures in the 1–3 keV range and atom number densities of ∼1023 cm−3 were expected. The plasma was magnetized with a 10 T axial magnetic field. Krypton was added to the fuel for diagnosing implosion plasma conditions. Krypton K-shell line emission was recorded with the CRITR time-integrated transmission crystal x-ray spectrometer. The observation shows n = 2 to n = 1 line emissions in B-, Be-, Li-, and He-like Kr ions and is characteristic of the highest electron temperatures achieved in the thermonuclear plasma. Detailed modeling of the krypton atomic kinetics and radiation physics permits us to interpret the composite spectral feature, and it demonstrates that the spectrum is temperature sensitive. We discuss temperatures extracted from the krypton data analysis for experiments performed with several filling pressures.

Clapp, J. T. (ORCID:0000000219928146)↗
DOE OSTI2024

Elucidating and contrasting the mechanisms for Mg and Ca sulfate ion-pair formation with multi-level embedded quantum mechanics/molecular dynamics simulations

Here, solutions and minerals containing sulfate (SO 4 2- ), and Ca 2+ and Mg 2+ cations, are ubiquitous throughout the lithosphere and are significant components of seawater, thus presenting a prototypical system for the study of strong electrolytes and crystal nucleation mechanisms. However, despite their relative abundance, key questions remain unanswered about the most fundamental atomic-level steps of their mineralization pathways and aqueous dynamics. Here, we carry out enhanced sampling multi-level molecular dynamics (MD) embedded correlated wavefunction theory simulations to elucidate ion-pairing mechanisms for Mg–SO 4 and Ca–SO 4 in concentrated aqueous solution, accurately capturing effects arising from both structural dynamics and electron exchange–correlation. We predict contact-ion-pair formation to be barrierless and highly exoergic for Ca–SO 4 , in agreement with its minimal solubility, whereas for Mg–SO 4 , solvent-shared and contact ion pairs have similar free energies, qualitatively consistent with its higher solubility. Finally, we demonstrate that brief high-temperature pre-equilibration may be utilized to accelerate convergence of free energies in blue-moon-ensemble enhanced-sampling MD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Examining Graphite Degradation in Molten Salt Environments: A Chemical, Physical, and Material Analysis

Molten-salt reactors (MSRs) are Generation IV nuclear reactors that use liquid salt as a coolant and/or fuel. In several MSR designs, graphite serves as a moderator and/or reflector. However, due to limited experimental data and operational experience, our understanding of graphite behavior in molten salt environments remains incomplete. This report aims to identify the degradation mechanisms of nuclear graphite in MSRs, detail the mechanisms of each factor, and provide an initial assessment of their impact on the structural integrity of graphite components. This assessment is based on an extensive literature review and insights from subject matter experts. Furthermore, given the limited data, a modeling strategy using existing Grizzly software is proposed for a more thorough analysis where appropriate. Additionally, it presents mitigation strategies where applicable. The report covers physical degradation mechanisms such as infiltration, erosion, and abrasion, as well as chemical degradation mechanisms including fluorination, intercalation, corrosion, and oxidation. Molten salt can infiltrate the porous structure of graphite, leading to several detrimental effects. Entrapment of fissile products within the graphite pores can cause radiation damage and could pose challenges in the handling and disposal of contaminated components. The differential thermal expansion between the infiltrated salt and graphite, along with internal stress from pressurized molten salt and volumetric heating, can compromise the structural integrity of graphite. To mitigate these effects, employing ultra-fine graphite grades and applying sealants and coatings are effective strategies. A computational model based on coupled solid mechanics and heat transfer phenomena could be used to predict the internal stresses using Grizzly software. In pebble-bed MSRs, graphite fuel pebbles can cause abrasion against reactor components due to friction and wear. The severity of wear is influenced by various factors such as temperature, environment, and the presence of lubricants. Tribological studies reveal that higher temperatures and molten salt environments, such as FLiBe, significantly reduce wear rates compared to dry conditions. Additionally, the chemical composition of the salt can further optimize graphite's tribological performance. Long-term wear effects can be modeled by incorporating surface defects into the geometry and predict stresses under thermal and radiation effects using Grizzly software. Chemical degradation of graphite in a molten salt environment can occur through fluorination and intercalation. Fluorination can occur via replacement of hydrogen or oxygen atoms, or at the active sites, but does not cause structural degradation. Intercalation, on the other hand, can lead to exfoliation, where layers of graphite separate and peel away, damaging the graphite. Protective coatings can enhance graphite's resistance to intercalation. Graphite generally exhibits good chemical stability in molten salt environments, though it can corrode under specific conditions, particularly in the presence of impurities or oxidants. Studies have shown that protective coatings, such as plasma-sprayed partially stabilized zirconia (PSZ), can effectively prevent such degradation. Corrosion behavior varies significantly with different graphite grades and coating applications, underscoring the need for detailed studies on uncoated and coated graphite to understand and mitigate corrosion mechanisms in MSRs. Research indicates that the presence of oxidants and impurities can accelerate graphite degradation in molten salts, making it essential to explore acceptable impurity limits. Oxidation is another critical degradation mechanism, leading to weight loss and structural damage due to the formation of CO and CO 2 from the reaction of carbon atoms with oxygen. This process creates new porosity and compromises graphite's integrity. While extensive research on graphite oxidation has been conducted for gas-cooled reactors, studies specific to MSRs are limited. Findings from the coal industry suggest that molten alkali metal salts can significantly accelerate graphite oxidation, a hypothesis worth exploring for fluoride salts in MSRs. Understanding oxidation behavior in MSRs is vital for developing protective measures. The analysis of post-irradiated graphite from the MSRE experiment demonstrated exceptional chemical compatibility with molten fluoride salt, suggesting that the extent of chemical attack on graphite largely depends on the salt's infiltration capability. Therefore, the use of ultra-fine grade graphite could help mitigate chemical degradation effects. Existing oxidation modeling capabilities in Grizzly, which use reaction-diffusion equations to model graphite-air interactions, could be adapted to simulate the chemical degradation effects of graphite in molten salt environments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Chiral Instabilities and the Onset of Chiral Turbulence in QED Plasmas

We present a first principles study of chiral plasma instabilities and the onset of chiral turbulence in QED plasmas with strong gauge matter interaction ( e 2 N f = 64 ), far from equilibrium. By performing classical-statistical lattice simulations of the microscopic theory, we show that the generation of strong helical magnetic fields from a helicity imbalance in the fermion sector proceeds via three distinct phases. During the initial linear instability regime the helicity imbalance of the fermion sector causes an exponential growth (damping) of magnetic field modes with right- (left-) handed polarization, for which we extract the characteristic growth (damping) rates. Secondary growth of unstable modes accelerates the helicity transfer from fermions to gauge fields and ultimately leads to the emergence of a self-similar scaling regime characteristic of a decaying turbulence, where magnetic helicity is efficiently transferred to macroscopic length scales. Within this turbulent regime, the evolution of magnetic helicity spectrum can be described by an infrared power spectrum with spectral exponent κ = 10.2 ± 0.5 and dynamical scaling exponents α = 1.14 ± 0.50 and β = 0.37 ± 0.13 .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge

In this work, we present the results of two-dimensional modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge. A multiscale adaptive reduced chemistry solver for plasma assisted combustion (MARCS-PAC) based on PASSKEy discharge modeling package and compressible multi-component reactive flow solver ASURF+ is developed and validated. This model is applied to simulate the impact of non-equilibrium plasma excitation and electrode geometry and heat loss on the dynamics of the discharge from streamer to spark and ignition kernel development in a H 2 /air mixture with a pair of cylindrical electrodes. The results show that the plasmagenerated species (N 2 (A), N 2 (B), N 2 (a'), N 2 (C), O( 1 D), O and H) in the spark and afterglow significantly accelerate the ignition kernel development. The increase of discharge voltage at the same total discharge energy promotes the non-equilibrium active species production. It is found that the production of electronically excited species at higher reduced electric field strength is more efficient in enhancing ignition in comparison to the vibrational excitation and heating. Moreover, the 2D simulation clearly reveals that the electric field and active species distribution are highly non-uniform. The streamers are initiated at the sharp outer edges of the negative and positive electrodes by a strong electric field while the electric field is much weaker at the centerline of the electrodes. Furthermore, the simulations reveal that the ignition enhancement is sensitive to the variation of electrode shape, diameter, and gap size due to the changes of electric field distribution and location of streamer formation. A cylindrical electrode produces a larger discharge volume and ignition kernel than the parabolic and spherical electrodes, when the discharge is localized near the axis of the gap. It is found that there is a non-monotonic dependence of ignition kernel size on the electrode diameter and inter-electrode distance. The increase of electrode diameter and gap size above the optimal conditions leads to the reduction of ignition kernel volume, due to the decrease of active species concentration and gas temperature. At a larger electrode surface area and electrode diameter as well as smaller electrode gap size, the heat loss to electrode plays a greater role in reducing the ignition kernel size and slowing ignition kernel development. This work provides insights and guidance to understand the kinetic enhancement of non-equilibrium plasma and the effects of electrode geometries on ignition for the optimization ignitors in advanced engines.

42 ENGINEERING↗
DOE OSTI2026

Onset of Rayleigh-Bénard convection at fuel-ablator interfaces in inertial confinement fusion simulations

Here, we demonstrate the onset of Rayleigh-Bénard convection (RBC) near the fuel-ablator interface of inertial confinement fusion (ICF) implosion simulations for the scenario in which Rayleigh-Taylor or Richtmyer-Meshkov instabilities are suppressed. This convective heating within the cold fuel can degrade the adiabat and therefore performance of ICF implosions even without mixing of fuel and ablator. Our work suggests additional considerations to realize design adiabats in otherwise ideal ICF implosions: first, via control of the temperature differences between ablator and fuel and, second, control of the fuel acceleration which we show has a complex interplay with the RBC dynamics.

Physics - Plasma physics↗
DOE OSTI2021

Discovering the 3D Structure and Dynamics of the Sun-Interstellar Medium System on a Global Scale Los Alamos LDRD Report

We discover the 3D plasma structure of the Sun-interstellar medium interaction region, called the heliosheath. This is enabled by (1) the completion of a full solar cycle of observations of hydrogen energetic neutral atoms (ENAs) emanating from this region and detected by the Los Alamos-led IBEX-Hi ENA imager on NASA’s Interstellar Boundary Explorer (IBEX) mission, and (2) the development of tools to fully exploit all data from the IBEX-Hi imager, leading to a significant increase in the effective instrument sensitivity. This effort prepares us for optimizing the design and data exploitation of the IMAP-Hi imager, the Los Alamos-led next generation imager that will fly on the Interstellar Mapping and Acceleration Probe (IMAP) mission, currently under production. This project realized its goals as evidenced by two main outcomes: (1) The publication of the first-ever empirical 3D map of the interstellar boundary, and (2) the development and release of a new validated ENA data set that has tripled the amount of data available for scientific analysis of the outer heliosphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Advanced data analysis in inertial confinement fusion and high energy density physics

Bayesian analysis enables flexible and rigorous definition of statistical model assumptions with well-characterized propagation of uncertainties and resulting inferences for single-shot, repeated, or even cross-platform data. This approach has a strong history of application to a variety of problems in physical sciences ranging from inference of particle mass from multi-source high-energy particle data to analysis of black-hole characteristics from gravitational wave observations. The recent adoption of Bayesian statistics for analysis and design of high-energy density physics (HEDP) and inertial confinement fusion (ICF) experiments has provided invaluable gains in expert understanding and experiment performance. In this Review, we discuss the basic theory and practical application of the Bayesian statistics framework. We highlight a variety of studies from the HEDP and ICF literature, demonstrating the power of this technique. Due to the computational complexity of multi-physics models needed to analyze HEDP and ICF experiments, Bayesian inference is often not computationally tractable. Two sections are devoted to a review of statistical approximations, efficient inference algorithms, and data-driven methods, such as deep-learning and dimensionality reduction, which play a significant role in enabling use of the Bayesian framework. We provide additional discussion of various applications of Bayesian and machine learning methods that appear to be sparse in the HEDP and ICF literature constituting possible next steps for the community. We conclude by highlighting community needs, the resolution of which will improve trust in data-driven methods that have proven critical for accelerating the design and discovery cycle in many application areas.

47 OTHER INSTRUMENTATION↗