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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Presentation Summary: State of the AGN: Progress Toward Understanding Black Hole Accretion Processes

Accretion of plasma onto black holes power some of the most powerfulsystems in the cosmos. Supermassive black holes at the centers ofgalaxies represent the high-mass limit of these objects and so accountfor the most luminous accretors. As a result, their influence spansvast spatial and temporal scales of cosmic phenomena: intraclusterheating, intergalactic media, galactic feedback and star formation,kiloparsec-scale jets/outflows, variability over time scales of minutesto centuries, and luminous multi-wavelength electromagnetic emissionextending all the way down to its event horizon. Their intrigue isheightened by the fact that they lie at the intersection of variousphysical laws---e.g., general relativistic gravity,magnetohydrodynamics, radiation, high-energy particle physics,thermodynamics, and photo-ionization---which all must be reconciled toarrive at a fundamental understanding and probe for new physics, liketests of general relativity. These physics ingredients must beincorporated into simulations performed somehow on dynamical scalesranging from that of the event horizon to parsec-scales. Fortunately,new computational and theoretical techniques---such as GPU computing,radiation transport, and and novel gridding techniques---are enablingprogress to larger scales, more degrees of freedom, and even to binarysystems. Some of the topics we will survey include recent progress onsimulating the relationship between the disk-jet interaction, howtilted black holes behave, radiation-dominated flow, and how binaryAGN affect the standard picture of black hole accretion. Along theway, we will highlight how new technologies have enabled thesescientific rewards. Future directions and open questions will beprovided to inspire discussion and interaction during the session.

Black Holes↗
NASA NTRSDate not supplied

State of the AGN: Progress Toward Understanding Black Hole Accretion Processes

Accretion of plasma onto black holes power some of the most powerful systems in the cosmos. Supermassive black holes at the centers of galaxies represent the high-mass limit of these objects and so account for the most luminous accretors. As a result, their influence spans vast spatial and temporal scales of cosmic phenomena: intracluster heating, intergalactic media, galactic feedback and star formation, kiloparsec-scale jets/outflows, variability over time scales of minutes to centuries, and luminous multi-wavelength electromagnetic emission extending all the way down to its event horizon. Their intrigue is heightened by the fact that they lie at the intersection of various physical laws---e.g., general relativistic gravity, magnetohydrodynamics, radiation, high-energy particle physics, thermodynamics, and photo-ionization---which all must be reconciled to arrive at a fundamental understanding and probe for new physics, like tests of general relativity. These physics ingredients must be incorporated into simulations performed somehow on dynamical scales ranging from that of the event horizon to parsec-scales. Fortunately, new computational and theoretical techniques---such as GPU computing, radiation transport, and and novel gridding techniques---are enabling progress to larger scales, more degrees of freedom, and even to binary systems. Some of the topics we will survey include recent progress on simulating the relationship between the disk-jet interaction, how tilted black holes behave, radiation-dominated flow, and how binary AGN affect the standard picture of black hole accretion. Along the way, we will highlight how new technologies have enabled these scientific rewards. Future directions and open questions will be provided to inspire discussion and interaction during the session.

LISA↗
NASA NTRS2001

Shape and Structure

The convenient availability and simplicity of the Lorenz-Mie theory has resulted in a widespread practice of treating nonspherical particles (especially those in random orientation) as if they were spheres to which Lorenz-Mie results are applicable. However, the assumption of sphericity is rarely made after first having studied the effects of nonsphericity and having concluded that they are negligible. On the contrary, overwhelming evidence suggests that scattering properties of nonspherical particles, including those in random orientation, can significantly differ from those of volume- or surface-equivalent spheres. Hence, the last few decades have demonstrated major research efforts aimed at a significantly better understanding of the effects of particle shape and morphology on electromagnetic scattering. The goal of this presentation is to provide a concise summary of these efforts. The recent availability of theoretical techniques for computing single and multiple scattering of light by realistic polydispersions of spherical and nonspherical particles and the strong dependence of the Stokes scattering matrix on particle size, shape, and refractive index make polarization and depolarization measurements a powerful particle characterization tool. This presentation will focus on recent applications of photopolarimetric and lidar depolarization measurements to remote sensing characterization of tropospheric aerosols, polar stratospheric clouds (PSCs) and contrails. The talk will include (1) a short theoretical overview of the effects of particle microphysics on particle single-scattering characteristics; (2) the use of multi-angle multi-spectral photopolarimetry to retrieve the optical thickness, size distribution, refractive index, and number concentration of tropospheric aerosols over the ocean surface; and (3) the application of the T-matrix method to constraining the PSC and contrail particle microphysics using multi-spectral measurements of lidar backscatter and depolarization

Mishchenko, Michael↗
NASA NTRS2001

Retrievals of Aerosol and Cloud Particle Microphysics Using Polarization and Depolarization Techniques

The recent availability of theoretical techniques for computing single and multiple scattering of light by realistic polydispersions of spherical and nonspherical particles and the strong dependence of the Stokes scattering matrix on particle size, shape, and refractive index make polarization and depolarization measurements a powerful particle characterization tool. In this presentation I will describe recent applications of photopolarimetric and lidar depolarization measurements to remote sensing characterization of tropospheric aerosols, polar stratospheric clouds (PSCs), and contrails. The talk will include (1) a short theoretical overview of the effects of particle microphysics on particle single-scattering characteristics; (2) the use of multi-angle multi-spectral photopolarimetry to retrieve the optical thickness, size distribution, refractive index, and number concentration of tropospheric aerosols over the ocean surface; and (3) the application of the T-matrix method to constraining the PSC and contrail particle microphysics using multi-spectral measurements of lidar backscatter and depolarization.

Mishchenko, Michael↗
DOE OSTI2021

Multiphase tin equation of state using density functional theory

In this work, we perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasiharmonic approximation over a range of volumes for each solid phase, and DFT-based molecular dynamics (DFT-MD) simulations of the liquid phase, including those of the melt curve using the Z method. Using the DFT results, we construct a tabular multiphase sesame equation of state for tin, referred to as sesame 2162. Comparisons to experimental data are made and show a high level of agreement in isobaric data, isothermal data, shock data, and phase boundary measurements, including measurements of the melt curve. The 2162 EOS will be useful for hydrodynamics simulations and has been designed with an eye toward hydrodynamics simulations that incorporate materials strength models and allow for modeling of the kinetics of phase transitions.

3-dimensional systems↗
DOE OSTI2026

Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)

In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1971

A study of the electromagnetic interaction between planetary bodies and the solar wind

Theoretical and computational techniques were developed for calculating the time dependent electromagnetic response of a radially inhomogeneous moon. The techniques were used to analyze the experimental data from the LSM (lunar surface magnetometer) thus providing an in-depth diagnostic of the Lunar interior. The theory was also incorporated into an existing computer code designed to calculate the thermal evolution of planetary bodies. The program will provide a tool for examining the effect of heating from the TE mode (poloidal magnetic field) as well as the TM mode (toroidal magnetic field).

Schwartz, K.↗
NASA NTRS1982

The report of the Gravity Field Workshop

A Gravity Field Workshop was convened to review the actions which could be taken prior to a GRAVSAT mission to improve the Earth's gravity field model. This review focused on the potential improvements in the Earth's gravity field which could be obtained using the current satellite and surface gravity data base. In particular, actions to improve the quality of the gravity field determination through refined measurement corrections, selected data augmentation and a more accurate reprocessing of the data were considered. In addition, recommendations were formulated which define actions which NASA should take to develop the necessary theoretical and computation techniques for gravity model determination and to use these approaches to improve the accuracy of the Earth's gravity model.

Smith, D. E.↗
NASA NTRS1993

Laboratory simulation of field-aligned currents

A summary of progress during the period Apr. 1992 to Mar. 1993 is provided. Objectives of the research are (1) to simulate, via laboratory experiments, the three terms of the field-aligned current equation; (2) to simulate auroral-arc formation processes by configuring the boundary conditions of the experimental chamber and plasma parameters to produce highly localized return currents at the end of a field-aligned current system; and (3) to extrapolate these results, using theoretical and computational techniques, to the problem of magnetospheric-ionospheric coupling and to compare them with published literature signatures of auroral-arc phenomena.

Wessel, Frank J.↗
DOE OSTI2023

New Dimensions in the Theory of Excited States and X-ray Spectra (Final Report)

This Final Technical Report briefly summarizes the achievements during the lifetime of our DOE BES grant DE-FG02-97ER45623. The long-term goal of this project has been the development of quantitative theories of the interaction between radiation and matter, with a focus on x-ray spectroscopies. X-ray spectra have long been among the most important probes of atomic-scale structure and properties of matter, ranging from atoms and molecular systems to condensed matter and exotic states. These spectroscopies are widely used in investigations at the major DOE synchrotron x-ray facilities and related centers world-wide. In addition to fundamental theory, a major goal of our project has been the development of computational software that implements the theory for calculations of x-ray spectra of various materials throughout the periodic table. Due to the complex nature of x-ray spectra, quantitative theory is essential for its interpretation. The theory is challenging since it involves excited state electronic structure and many-body correlation effects that go beyond independent particle approximations like DFT or Hartree-Fock. Moreover, the experimental investigations typically involve a broad range of energy, time, and temperature scales, from the UV-Vis to hard x-ray energies of order 10 4 eV, and temperatures T from ambient up to the warm-dense-matter regime where the Fermi energy kBTF is of order a few eV, i.e., temperatures of order 105 Kelvin. This broad range of experimental conditions has fostered many novel theoretical approaches and computational techniques, many of which we have developed systematically over the duration of the grant. In contrast to the traditional wave-function approach of quantum theory and electronic structure methods, our theoretical approach is based on modern Green's function techniques. This approach is better suited for aperiodic structures, excited states, and broad spectral ranges, since it avoids the computational bottlenecks of sum-over-states approaches, as in the Fermi golden rule. This theoretical framework has been incorporated into efficient, user-friendly x-ray spectroscopy software which is now used routinely worldwide to simulate and analyze spectra. These theoretical tools provide an essential complement to synchrotron and next-generation light sources, which are used to investigate complex materials with ever increasing precision. Moreover, the synergism between theory, computation and experiment contributed by our research enhances scientific understanding and creates opportunities for innovations in materials and energy science and in many fields. As documented in this Report, this research grant has been remarkably successful in achieving these goals. In particular, this grant has supported the development of the x-ray spectroscopy software suite known as FEFF (named for an effective scattering amplitude f eff in the theory). The FEFF codes have become one of the premier tools for quantitative simulations of x-ray spectra as documented by many thousands of citations in the Web of Science and Google-Scholar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Multiscale Investigation of the Mechanisms Controlling Materials Degradation in the Fusion Energy Environment (DE-SC0006661: Final Report)

Realizing the promise of fusion as a commercially attractive energy source requires the development of advanced structural materials capable of sustained operation in an incredibly hostile environment. The fusion environment presents many challenges associated with high cyclic thermal-mechanical loadings, welding and joining disparate materials, and achieving chemical compatibility with coolants and tritium breeders. Yet, the overarching concern is the degradation of physical and mechanical properties, resulting from a neutron energy spectrum peaked at 14 MeV. The high-energy fusion neutron irradiation produces both displacement damage and high levels of hydrogen and helium through transmutation reactions. Advanced materials development for use in such a hostile environment is predicated on understanding the underlying mechanisms responsible for physical and material property degradation. This project has closely combined computational, theoretical and experimental techniques within a multiscale materials science paradigm to determine the mechanisms controlling material degradation in the fusion environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A New Era of Discovery: The 2023 Long-Range Plan for Nuclear Science (V.1.2)

Nuclear science is the investigation of how protons and neutrons are formed from elementary particles and how the forces between those particles produce both nuclei and the vast variety of nuclear phenomena that occur in the universe. It has evolved into a broad field that addresses profound scientific questions: Where does the mass of visible matter come from? How do stars ignite, live, and die? How do nuclei illuminate the search for new laws of nature? This science points the way to using nuclei to build new technologies that benefit society. The 2015 Nobel Prize in physics was shared by nuclear physicists Art McDonald and Takaaki Kajita for the discovery of neutrino oscillations, which confirmed that neutrinos have mass. Our progress on big questions like this one since 2015 has been remarkable owing to new experimental tools, theoretical breakthroughs, powerful computational techniques, and the talented people who make these innovations possible. Focusing on these new tools, the Facility for Rare Isotope Beams (FRIB) at Michigan State University is already producing exciting results on decays of never-before-produced isotopes a year after it was completed on time and on budget. The energy upgrade of the Continuous Electron Beam Accelerator Facility (CEBAF) at the Thomas Jefferson National Accelerator Facility (Jefferson Lab) was also completed on schedule and on budget—new data from this facility are revealing the spectrum, structure, and dynamics of protons, neutrons, nuclei, and mesons. On the theory front, we can now calculate the distribution of quarks inside the proton from first principles. The implementation of artificial intelligence (AI) and machine learning (ML) techniques has led to improved data analysis and increased efficiency in running experiments and theoretical calculations. The impact of nuclear science goes beyond expanding the frontiers of knowledge about matter in the universe. We simultaneously develop a STEM work force that advances the security, technology, health, and wealth of our nation. Some connections are obvious. Expert scientists trained to work with radioactive nuclei are in demand in nuclear security arenas and are highly sought after by various government agencies and private industries. Graduate students and postdoctoral fellows (postdocs) obtain extensive computational, modeling, and data science skills that are similarly in high demand. Less obvious but equally important is the connection between these trained scientists and success in other professions, including medicine, energy, and entrepreneurial pursuits. The workforce that enables discovery in nuclear science also makes breakthroughs in technologies with tremendous impact on the nation’s economic advancement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

Sound propagation over uneven ground and irregular topography

The development of theoretical, computational, and experimental techniques for predicting the effects of irregular topography on long range sound propagation in the atmosphere is discussed. Irregular topography here is understood to imply a ground surface that (1) is not idealizable as being perfectly flat or (2) that is not idealizable as having a constant specific acoustic impedance. The study focuses on circumstances where the propagation is similar to what might be expected for noise from low-altitude air vehicles flying over suburban or rural terrain, such that rays from the source arrive at angles close to grazing incidence.

Pierce, A. D.↗
NASA NTRS1985

What have we learned from modeling giant planet interiors?

Models of the giant planets are reviewed. The theoretical techniques used in computing the models are described, and the observational and experimental inputs are summarized. Special emphasis is placed on uncertainties in these input data. The models are then examined and the results of various authors presented. It is demonstrated that all the planets have heavy-element enhancements of between 10 and 40 earth masses, with a large fraction of this material residing in the core. It is also shown that the ratio of ice to rock in Uranus and Neptune is on the order of three. The implications of these results for theories of the origin of the solar system are discussed.

Podolak, M.↗
NASA NTRS1986

Sound propagation over uneven ground and irregular topography

Theoretical, computational, and experimental techniques for predicting the effects of irregular topography on long range sound propagation in the atmosphere was developed. Irregular topography here is understood to imply a ground surface that is not idealized as being perfectly flat or that is not idealized as having a constant specific acoustic impedance. The interest focuses on circumstances where the propagation is similar to what might be expected for noise from low altitude air vehicles flying over suburban or rural terrain, such that rays from the source arrive at angles close to grazing incidence.

Kearns, J. A.↗
NASA NTRS1987

Sound propagation over uneven ground and irregular topography

The goal of this research is to develop theoretical, computational, and experimental techniques for predicting the effects of irregular topography on long range sound propagation in the atmosphere. Irregular topography here is understood to imply a ground surface that is not idealizable as being perfectly flat or that is not idealizable as having a constant specific acoustic impedance. The interest of this study focuses on circumstances where the propagation is similar to what might be expected for noise from low-attitude air vehicles flying over suburban or rural terrain, such that rays from the source arrive at angles close to grazing incidence. The activities and developments that have resulted during the period, August 1986 through February 1987, are discussed.

Berthelot, Yves H.↗
NASA NTRS1988

Sound propagation over uneven ground and irregular topography

The goal of this research is to develop theoretical, computational, and experimental techniques for predicting the effects of irregular topography on long range sound propagation in the atmosphere. Irregular topography is understood to imply a ground surface that is not idealizable as being perfectly flat or that is no idealizable as having a constant specific acoustic impedance. The focus is on circumstances where the propagation is similar to what might be expected for noise from low-altitude air vehicles flying over suburban or rural terrain, such that rays from the source arrive at angles close to grazing incidence.

Berthelot, Yves H.↗