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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
DOE OSTI2025

Towards a Deeper Fundamental Understanding of (Al,Sc)N Ferroelectric Nitrides

Density functional theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-allowed analytical expression of the internal energy and having parameters determined from first principles, to investigate properties and energetics of Al1-xScxN ferroelectric nitrides in their hexagonal forms. These DFT computations and this model predict the existence of two different types of minima, namely, the fourfold-coordinated wurtzite (WZ) polar structure and a five-fold coordinated paraelectric hexagonal phase (denoted as H5), for any Sc composition up to 40%. The H5 minimum progressively becomes the lowest-energy state within hexagonal symmetry as the Sc concentration increases from 0 to 0.4. Furthermore, the model points to several key findings. Examples include the crucial role of the coupling between polarization and strains to create the WZ minimum, in addition to polar and elastic energies, and that the origin of the H5 state overcoming the WZ phase as the global minimum within hexagonal symmetry when increasing the Sc composition mostly lies in the compositional dependency of only two parameters-one linked to the polarization and another one being purely elastic in nature. Other examples are that forcing Al1-xScxN systems to have no or a weak change in lattice parameters when heating them allows us to reproduce their finite-temperature polar properties well and that a value of the axial ratio close to that of the ideal WZ structure implies a large polarization at low temperatures but not necessarily at high temperatures because of the ordered-disordered character of the temperature-induced formation of the WZ state. Such findings should allow for a better fundamental understanding of (Al,Sc)N ferroelectric nitrides, which may be used to design efficient devices having, e.g., low operating voltages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

100th Anniversary of Macromolecular Science Viewpoint: Fundamentals for the Future of Macromolecular Nitroxide Radicals

Macromolecular radicals, radical polymers, and polyradicals bear unique functionalities derived from their pendant radical groups. Here, the increasing need for organic functional materials is driving the growth in research interest in macromolecular radicals for batteries, electronics, memory, and imaging. This Viewpoint summarizes the current state-of-knowledge regarding the macromolecular nitroxide radicals’ redox mechanism, conductivity, chain conformation, controlled polymerization, network structure, conjugated forms, and applications. The nitroxide radical group is the focus because it is the most widely studied. Although most literature focuses upon applications, an emerging body of work is highlighting the fundamental physicochemical properties of macromolecular radicals. To this end, this Viewpoint recommends areas of opportunity in fundamental studies and best practices in reporting.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Examining normal modes as fundamental heat carriers in amorphous solids: The case of amorphous silicon

Normal mode decomposition of atomic vibrations has been used to provide microscopic understanding of thermal transport in amorphous solids for decades. In normal mode methods, it is naturally assumed that atoms vibrate around their equilibrium positions, and that individual normal modes are the fundamental vibrational excitations transporting heat. With the abundance of predictions from normal mode methods and experimental measurements now available, we carefully analyze these calculations in amorphous silicon, a model amorphous solid. We find a number of discrepancies, suggesting that treating individual normal modes as fundamental heat carriers may not be accurate in amorphous solids. Furthermore, our classical and ab initio molecular dynamics simulations of amorphous silicon demonstrate a large degree of atomic diffusion, especially at high temperatures, leading to the conclusion that thermal transport in amorphous solids could be better described starting from the perspectives of liquid physics rather than from crystalline solids.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ferromagnetic gyroscopes for tests of fundamental physics

Abstract A ferromagnetic gyroscope (FG) is a ferromagnet whose angular momentum is dominated by electron spin polarization and that will process under the action of an external torque, such as that due to a magnetic field. Here we model and analyze FG dynamics and sensitivity, focusing on practical schemes for experimental realization. In the case of a freely floating FG, we model the transition from dynamics dominated by libration in relatively high externally applied magnetic fields, to those dominated by precession at relatively low applied fields. Measurement of the libration frequency enables in situ determination of the magnetic field and a technique to reduce the field below the threshold for which precession dominates the FG dynamics. We note that evidence of gyroscopic behavior is present even at magnetic fields much larger than the threshold field below which precession dominates. We also model the dynamics of an FG levitated above a type-I superconductor via the Meissner effect, and find that for FGs with dimensions larger than about 100 nm the observed precession frequency is reduced compared to that of a freely floating FG. This is due to an effect akin to negative feedback that arises from the distortion of the field from the FG by the superconductor. Finally we assess the sensitivity of an FG levitated above a type-I superconductor to exotic spin-dependent interactions under practical experimental conditions, demonstrating the potential of FGs for tests of fundamental physics.

Physics↗
DOE OSTI2021

Multi-Sectoral Urban Interactions: Fundamental Science Needs to Inform Pathways to More Resilient Communities in a Changing Climate Multi-Sectoral Urban Interactions: Fundamental Science Needs to Inform Pathways to More Resilient Communities in a Changing Climate

Urban areas and the supply networks that support their resource use are inherently multisectoral systems composed of infrastructural, environmental, and socio-institutional components. These systems are vulnerable to accelerating and interacting stresses from climate change, population growth, resource scarcity, and land-use pressure at the same time as they have a major influence on regional and global systems. For instance, a majority of the world’s greenhouse gas emissions, food consumption, and economic activity can be attributed to urban areas. Urban areas are highly heterogenous, both across and within cities in terms of their socio-demographic, environmental, and infrastructural characteristics. This heterogeneity shapes how urban systems interact and co-evolve and contributes to different economic, environmental, and health outcomes for communities within urban areas. Urban heterogeneity also generates differential vulnerabilities to stressors and differential capacity for adapting to change. The evolution of urban space is thus critical in shaping how human societies respond to global change as they seek to improve resilience to stressors, support prosperous and equitable communities, and use natural resources in a sustainable manner. Developing fundamental scientific understanding of urban heterogeneity and system interactions across sectors and scales is critical for mapping the resilience, sustainability, and equity implications of alternative future pathways. On July 2021 the MSD Urban Systems Working Group organized this workshop to provide a venue for coordination and identification of shared objectives, research themes, and major knowledge gaps, as well as developing a shared strategy for addressing these gaps. This report summarizes the outcomes of this workshop.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1990

Fifth Fundamental Catalogue (FK5). Part 1: Basic fundamental stars (Fricke, Schwan, and Lederle 1988): Documentation for the machine-readable version

The machine-readable version of the catalog, as it is currently being distributed from the Astronomical Data Center, is described. The Basic FK5 provides improved mean positions and proper motions for the 1535 classical fundamental stars that had been included in the FK3 and FK4 catalogs. The machine version of the catalog contains the positions and proper motions of the Basic FK5 stars for the epochs and equinoxes J2000.0 and B1950.0, the mean epochs of individual observed right ascensions and declinations used to determine the final positions, and the mean errors of the final positions and proper motions for the reported epochs. The cross identifications to other designations used for the FK5 stars that are given in the published catalog were not included in the original machine versions, but the Durchmusterung numbers have been added at the Astronomical Data Center.

Warren, Wayne H., Jr.↗
DOE OSTI2021

Observation of Fundamental Mechanisms in Compression-Induced Phase Transformations Using Ultrafast X-ray Diffraction

As theoretically hypothesized for several decades in group IV transition metals, we have discovered a dynamically stabilized body-centered cubic (bcc) intermediate state in Zr under uniaxial loading at sub-nanosecond timescales. Under ultrafast shock wave compression, rather than the transformation from α-Zr to the more disordered hex-3 equilibrium ω-Zr phase, in its place we find the formation of a previously unobserved nonequilibrium bcc metastable intermediate. We probe the compression-induced phase transition pathway in zirconium using time-resolved sub-picosecond x-ray diffraction analysis at the Linac Coherent Light Source. We also present molecular dynamics simulations using a potential derived from first-principles methods which independently predict this intermediate phase under ultrafast shock conditions. In contrast with experiments on longer timescale (> 10 ns) where the phase diagram alone is an adequate predictor of the crystalline structure of a material, our recent study highlights the importance of metastability and time dependence in the kinetics of phase transformations.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Fourier Transform Spectrometer observations of solar carbon monoxide. I - The fundamental and first overtone bands in the quiet sun

Measurements of the 2200/cm fundamental and 4300/cm first overtone vibration-rotation band systems of solar carbon monoxide, were obtained with the Fourier Transform Spectrometer of the McMath telescope at Kitt Peak. The overtone measurements were taken at the east, north, and west heliocentric limbs, and at disk center. Observations of the strong fundamental bands were obtained at disk center and near the north limb. The low core brightness temperatures of the strongest fundamental carbon monoxide lines near the limb, reported previously by Noyes (1972) and Hall (1974), are confirmed. The possibility that thermal inhomogeneities might be responsible for the unusual behavior of the fundamental carbon dioxide lines have been examined. The somewhat discordant behavior of the fundamental lines at disk center compared with the north limb seems to favor a limb shadowing effect. The first overtone limb equivalent widths and the best-fit thermal and microvelocity models indicate a solar carbon abundance of 0.004 (on the scale with A sub H = 1) for an oxygen-to-carbon abundance ratio of 2.

Ayres, T. R.↗
NASA NTRS1984

Fundamental and harmonic emission in interplanetary type 2 radio bursts

Three interplanetary type II radio bursts which show two prominent and long duration bands in their dynamic spectra were analyzed in detail and compared to similar bands in meter wavelength type II events. These bands, which differ by a factor of about two in frequency, were interpreted in terms of fundamental and harmonic emission. The fundamental component has a greater average intensity than the harmonic, due largely to short intense brightenings. The fundamental spectral profile is more narrow than that of the harmonic, with harmonic band typically exhibiting a larger bandwidth to frequency ratio than the fundamental by a factor of two. The fundamental has a larger source size than the harmonic, 160 degrees versus 110 degrees, on average, as viewed from the Sun. Two of the events have source positions which correlate well with the associated flare positions.

Lengyel-Frey, D.↗
NASA NTRS1985

Fundamental and harmonic emission in interplanetary type II radio bursts

Three interplanetary type II radio bursts which show two prominent and long duration bands in their dynamic spectra were analyzed in detail and compared to similar bands in meter wavelength type II events. These bands, which differ by a factor of about two in frequency, were interpreted in terms of fundamental and harmonic emission. The fundamental component has a greater average intensity than the harmonic, due largely to short intense brightenings. The fundamental spectral profile is more narrow than that of the harmonic, with harmonic band typically exhibiting a larger bandwidth to frequency ratio than the fundamental by a factor of two. The fundamental has a larger source size than the harmonic, 160 degrees versus 110 degrees, on average, as viewed from the sun. Two of the events have source positions which correlate well with the associated flare positions.

Lengyel-Frey, D.↗
DOE OSTI2024

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of low fundamental frequency biases

The use of non-sinusoidal waveforms in low pressure capacitively coupled plasmas intended for microelectronics fabrication has the goal of customizing ion and electron energy and angular distributions to the wafer. One such non-sinusoidal waveform uses the sum of consecutive harmonics of a fundamental sinusoidal frequency, f 0 , having a variable phase offset between the fundamental and even harmonics. In this paper, we discuss results from a computational investigation of the relation between ion energy and DC self-bias when varying the fundamental frequency f 0 for capacitively coupled plasmas sustained in Ar/CF 4 /O 2 and how those trends translate to a high aspect ratio etching of trenches in SiO 2 . The fundamental frequency, f 0 , was varied from 1 to 10 MHz and the relative phase from 0° to 180°. Two distinct regimes were identified. Average ion energy onto the wafer is strongly correlated with the DC self-bias at high f 0 , with there being a maximum at φ = 0° and minimum at φ = 180°. In the low frequency regime, this correlation is weak. Average ion energy onto the wafer is instead dominated by dynamic transients in the applied voltage waveforms, with a maximum at φ = 180° and minimum at φ = 0°. The trends in ion energy translate to etch properties. In both, the high and low frequency regimes, higher ion energies translate to higher etch rates and generally preferable final features, though behaving differently with phase angle.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The KLEVER survey: nitrogen abundances at z ~ 2 and probing the existence of a fundamental nitrogen relation

Here we present a comparison of the nitrogen-to-oxygen ratio (N/O) in 37 high-redshift galaxies at z ~ 2 taken from the KMOS Lensed Emission Lines and VElocity Review (KLEVER) Survey with a comparison sample of local galaxies, taken from the Sloan Digital Sky Survey (SDSS). The KLEVER sample shows only a mild enrichment in N/O of +0.1 dex when compared to local galaxies at a given gas-phase metallicity (O/H), but shows a depletion in N/O of –0.35 dex when compared at a fixed stellar mass (M * ). We find a strong anticorrelation in local galaxies between N/O and SFR in the M * –N/O plane, similar to the anticorrelation between O/H and SFR found in the mass–metallicity relation (MZR). We use this anticorrelation to construct a fundamental nitrogen relation (FNR), analogous to the fundamental metallicity relation (FMR). We find that KLEVER galaxies are consistent with both the FMR and the FNR. This suggests that the depletion of N/O in high-z galaxies when considered at a fixed M * is driven by the redshift evolution of the mass–metallicity relation in combination with a near redshift-invariant N/O–O/H relation. Furthermore, the existence of an fundamental nitrogen relation suggests that the mechanisms governing the fundamental metallicity relation must be probed by not only O/H, but also N/O, suggesting pure-pristine gas inflows are not the primary driver of the FMR, and other properties such as variations in galaxy age and star formation efficiency must be important.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

DESI peculiar velocity survey – Fundamental Plane

The Dark Energy Spectroscopic Instrument (DESI) peculiar velocity survey aims to measure the peculiar velocities of early- and late-type galaxies within the DESI footprint using both the Fundamental Plane and optical Tully–Fisher relations. Direct measurements of peculiar velocities can significantly improve constraints on the growth rate of structure, reducing uncertainty by a factor of approximately 2.5 at redshift 0.1 compared to the DESI Bright Galaxy Survey’s redshift space distortion measurements alone. We assess the quality of stellar velocity dispersion measurements from DESI spectroscopic data. These measurements, along with photometric data from the Legacy Survey, establish the Fundamental Plane relation and determine distances and peculiar velocities of early-type galaxies. During survey validation, we obtain spectra for 6698 unique early-type galaxies, up to a photometric redshift of 0.15. 64 per cent of observed galaxies (4267) have relative velocity dispersion errors below 10 per cent. This percentage increases to 75 per cent if we restrict our sample to galaxies with spectroscopic redshifts below 0.1. We use the measured central velocity dispersion, along with photometry from the DESI Legacy Imaging Surveys, to fit the Fundamental Plane parameters using a 3D Gaussian maximum likelihood algorithm that accounts for measurement uncertainties and selection cuts. In addition, we conduct zero-point calibration using the absolute distance measurements to the Coma cluster, leading to a value of the Hubble constant, H 0 = 76.05 ± 0.35 (statistical) ±0.49 (systematic Fundamental Plane) ±4.86 (statistical due to calibration) km s –1 Mpc –1 ⁠. This H 0 value is within 2σ of Planck cosmic microwave background results and within 1σ of other low-redshift distance indicator-based measurements.

cosmological parameters↗
DOE OSTI2024

Essay: Quantum Sensing with Atomic, Molecular, and Optical Platforms for Fundamental Physics

Atomic, molecular, and optical (AMO) physics has been at the forefront of the development of quantum science while laying the foundation for modern technology. With the growing capabilities of quantum control of many atoms for engineered many-body states and quantum entanglement, a key question emerges: what critical impact will the second quantum revolution with ubiquitous applications of entanglement bring to bear on fundamental physics? In this Essay, we argue that a compelling long-term vision for fundamental physics and novel applications is to harness the rapid development of quantum information science to define and advance the frontiers of measurement physics, with strong potential for fundamental discoveries. As quantum technologies, such as fault-tolerant quantum computing and entangled quantum sensor networks, become much more advanced than today’s realization, we wonder what doors of basic science can these tools unlock. We anticipate that some of the most intriguing and challenging problems, such as quantum aspects of gravity, fundamental symmetries, or new physics beyond the minimal standard model, will be tackled at the emerging quantum measurement frontier. . Published by the American Physical Society 2024

Physics↗
DOE OSTI2020

The X-Ray Fundamental Plane of the Platinum Sample, the Kilonovae, and the SNe Ib/c Associated with GRBs

A large fraction of gamma-ray burst (GRB) lightcurves (LCs) show X-ray plateaus. We analyze all GRBs with known redshifts presenting plateaus observed by The Neil Gehrels Swift Observatory from its launch until 2019 August. The fundamental plane relation between the rest-frame time and X-ray luminosity at the end of the plateau emission and the peak prompt luminosity holds for all the GRB classes when selection biases and cosmological evolutions are applied. We have discovered two important findings: (1) a new class of long GRBs with good data coverage: the platinum sample; and (2) the platinum, the SNe-LGRB, and the KN-SGRB samples, yield the smallest intrinsic scatter with σ platinum , GRB-SNe = 0.22 ± 0.10 and σ KN-SGRB = 0.24 ± 0.12. The SNe-LGRBs are composed of GRBs associated spectroscopically with the SNe Ib,c, the KN-SGRBs are composed by eight GRBs associated with kilonovae or where there could have been such an association. The highest correlation coefficients are yielded for the SN-LGRB-ABC sample, which includes GRBs spectroscopically associated with SNe Ib/c or with a clear optical bump in the LC resembling the SNe Ib/c, ( ), the SN-LGRBs ( ), and the KN-SGRBs ( ) when the redshift evolution is considered. We find that these category planes are reliable candidates to use as cosmological tools. Furthermore, the distance from the gold fundamental plane is a crucial discriminant among classes. In fact, we find that the distributions of the distances of the SNe-LGRB, SNe-LGRB-ABC, KN-SGRB, and SGRB samples from the gold fundamental plane are statistically different from the distribution of the gold GRBs' distances from the gold fundamental plane with and without considering evolution cases. <

79 ASTRONOMY AND ASTROPHYSICS↗