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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Invariant Imbedded T-Matrix Method for Axial Symmetric Hydrometeors with Extreme Aspect Ratios

The single-scattering properties (SSPs) of hydrometeors are the fundamental quantities for physics-based precipitation retrievals. Thus, efficient computation of their electromagnetic scattering is of great value. Whereas the semi-analytical T-Matrix methods are likely the most efficient for nonspherical hydrometeors with axial symmetry, they are not suitable for arbitrarily shaped hydrometeors absent of any significant symmetry, for which volume integral methods such as those based on Discrete Dipole Approximation (DDA) are required. Currently the two leading T-matrix methods are the Extended Boundary Condition Method (EBCM) and the Invariant Imbedding T-matrix Method incorporating Lorentz-Mie Separation of Variables (IITM+SOV). EBCM is known to outperform IITM+SOV for hydrometeors with modest aspect ratios. However, in cases when aspect ratios become extreme, such as needle-like particles with large height to diameter values, EBCM fails to converge. Such hydrometeors with extreme aspect ratios are known to be present in solid precipitation and their SSPs are required to model the radiative responses accurately. In these cases, IITM+SOV is shown to converge. An efficient, parallelized C++ implementation for both EBCM and IITM+SOV has been developed to conduct a performance comparison between EBCM, IITM+SOV, and DDSCAT (a popular implementation of DDA). We present the comparison results and discuss details. Our intent is to release the combined ECBM IITM+SOV software to the community under an open source license.

Pelissier, Craig↗
DOE OSTI2021

Nonlinear nanoelectrodynamics of a Weyl metal

Chiral Weyl fermions with linear energy-momentum dispersion in the bulk accompanied by Fermi-arc states on the surfaces prompt a host of enticing optical effects. While new Weyl semimetal materials keep emerging, the available optical probes are limited. In particular, isolating bulk and surface electrodynamics in Weyl conductors remains a challenge. We devised an approach to the problem based on near-field photocurrent imaging at the nanoscale and applied this technique to a prototypical Weyl semimetal TaIrTe 4 . As a first step, we visualized nano-photocurrent patterns in real space and demonstrated their connection to bulk nonlinear conductivity tensors through extensive modeling augmented with density functional theory calculations. Notably, our nanoscale probe gives access to not only the in-plane but also the out-of-plane electric fields so that it is feasible to interrogate all allowed nonlinear tensors including those that remained dormant in conventional far-field optics. Surface- and bulk-related nonlinear contributions are distinguished through their “symmetry fingerprints” in the photocurrent maps. Robust photocurrents also appear at mirror-symmetry breaking edges of TaIrTe 4 single crystals that we assign to nonlinear conductivity tensors forbidden in the bulk. Here, nano-photocurrent spectroscopy at the boundary reveals a strong resonance structure absent in the interior of the sample, providing evidence for elusive surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2016

The Primordial Inflation Explorer (PIXIE)

The Primordial Inflation Explorer is an Explorer-class mission to open new windows on the early universe through measurements of the polarization and absolute frequency spectrum of the cosmic microwave background. PIXIE will measure the gravitational-wave signature of primordial inflation through its distinctive imprint in linear polarization, and characterize the thermal history of the universe through precision measurements of distortions in the blackbody spectrum. PIXIE uses an innovative optical design to achieve background-limited sensitivity in 400 spectral channels spanning over 7 octaves in frequency from 30 GHz to 6 THz (1 cm to 50 micron wavelength). Multi-moded non-imaging optics feed a polarizing Fourier Transform Spectrometer to produce a set of interference fringes, proportional to the difference spectrum between orthogonal linear polarizations from the two input beams. Multiple levels of symmetry and signal modulation combine to reduce systematic errors to negligible levels. PIXIE will map the full sky in Stokes I, Q, and U parameters with angular resolution 2.6 degrees and sensitivity 70 nK per 1degree square pixel. The principal science goal is the detection and characterization of linear polarization from an inflationary epoch in the early universe, with tensor-to-scalar ratio r < 10(exp. -3) at 5 standard deviations. The PIXIE mission complements anticipated ground-based polarization measurements such as CMBS4, providing a cosmic-variance-limited determination of the large-scale E-mode signal to measure the optical depth, constrain models of reionization, and provide a firm detection of the neutrino mass (the last unknown parameter in the Standard Model of particle physics). In addition, PIXIE will measure the absolute frequency spectrum to characterize deviations from a blackbody with sensitivity 3 orders of magnitude beyond the seminal COBE/FIRAS limits. The sky cannot be black at this level; the expected results will constrain physical processes ranging from inflation to the nature of the first stars and the physical conditions within the interstellar medium of the Galaxy. We describe the PIXIE instrument and mission architecture required to measure the CMB to the limits imposed by astrophysical foregrounds.

Kogut, Alan↗
DOE OSTI2022

Notes on resonances and unitarity from celestial amplitudes

We study the celestial description of the O(N) sigma model in the large N limit as introduced by Coleman, Jackiw and Politzer. Focusing on three dimensions, we analyze the implications of a UV complete, all-loop order 4-point amplitude of pions in terms of correlation functions defined on the celestial circle. We find these retain many key features from the previously studied tree-level case, such as their relation to Generalized Free Field theories and crossing-symmetry, but also incorporate new properties such as IR/UV softness and S-matrix metastable states. In particular, to understand unitarity, we propose a form of the optical theorem that controls the imaginary part of the correlator based solely on the presence of these resonances. We also explicitly analyze the conformal block expansions and factorization of four-point functions into three-point functions. We find that summing over resonances is key for these factorization properties to hold. We end with some topics for future study.

1/N expansion↗
DOE OSTI2020

Origin of Rashba Spin-Orbit Coupling in 2D and 3D Lead Iodide Perovskites

isaWhittaker-Brooks2 & Tho D. Nguyen1* We studied spin dynamics of charge carriers in the superlattice-like Ruddlesden-Popper hybrid lead iodide perovskite semiconductors, 2D (BA)2(MA)Pb2I7 (with MA= CH3NH3, and BA= CH3(CH2)3NH3), and 3D MAPbI3 using the magnetic field effect (MFE) on conductivity and electroluminescence in their light emitting diodes (LEDs) at cryogenic temperatures. The semiconductors with distinct structural/ bulk inversion symmetry breaking, when combined with colossal intrinsic spin–orbit coupling (SOC), theoretically give rise to giant Rashba-type SOC. We found that the magneto-conductance (MC) magnitude increases monotonically with the emission intensity and saturates at ≈0.05% and 0.11% for the MAPbI3 and (BA)2(MA)Pb2I7, respectively. The magneto-electroluminescence (MEL) response with similar line shapes as the MC response has a significantly larger magnitude, and essentially stays constant at ≈0.22% and ≈0.20% for MAPbI3 and (BA)2(MA)Pb2I7, respectively. The sign and magnitude of the MC and MEL responses can be quantitatively explained in the framework of the Δg-based excitonic model using rate equations. Remarkably, the width of the MEL response in those materials linearly increases with increasing the applied electric field, where the Rashba coefficient in (BA)2(MA) Pb2I7 is estimated to be about 7 times larger than that in MAPbI3. Our studies might have significant impact on future development of electrically-controlled spin logic devices via Rashba-like effects

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dynamical vertex approximation for many-electron systems with spontaneously broken SU(2) symmetry

We generalize the formalism of the dynamical vertex approximation (DΓA)—a diagrammatic extension of the dynamical mean-field theory (DMFT)—to treat magnetically ordered phases. To this aim, we start by concisely illustrating the many-electron formalism for performing ladder resummations of Feynman diagrams in systems with broken SU(2) symmetry associated to ferromagnetic (FM) or antiferromagnetic (AF) order. We then analyze the algorithmic simplifications introduced by taking the local approximation of the two-particle irreducible vertex functions in the Bethe-Salpeter equations, which defines the ladder implementation of DΓA for magnetic systems. The relation of this assumption with the DMFT limit of large coordination-number/high dimensions is explicitly discussed. As a last step, we derive the expression for the ladder DΓA self-energy in the FM- and AF-ordered phases of the Hubbard model. The physics emerging in the AF-ordered case is explicitly illustrated by means of approximated calculations based on a static mean-field input for DΓA equations. The results obtained capture fundamental aspects of both metallic and insulating ground states of two-dimensional antiferromagnets, providing a reliable compass for future, more extensive applications of our approach. Furthermore, possible routes to further develop diagrammatic-based treatments of magnetic phases in correlated electron systems are briefly outlined in the Conclusions.

2-dimensional systems↗
DOE OSTI2023

Measurement of the Ratios of Branching Fractions R ( D * ) and R ( D 0 )

The ratios of branching fractions $R(D*)$ ≡ $B(\overline{B} → D*τ^-\overline{ν}_μ$)/$B$($\overline{B}$ → $D*μ^-\overline{ν}_μ$) and $R$($D$ 0 ) ≡ $B$($B$ - → $D^0τ^-\overline{v}_τ$)/$B$($B$ - → $D^0μ^-\overline{v}_μ$) are measured, assuming isospin symmetry, using a sample of proton-proton collision data corresponding to 3.0 fb -1 of integrated luminosity recorded by the LHCb experiment during 2011 and 2012. The tau lepton is identified in the decay mode $τ^-$ → $μ^-ν_τ\overline{ν}_μ$. The measured values are $R$($D$*) = 0.281 ± 0.018 ± 0.024 and $R$($D$ 0 ) = 0.441 ± 0.060 ± 0.066, where the first uncertainty is statistical and the second is systematic. The correlation between these measurements is $ρ$ = -0.43. The results are consistent with the current average of these quantities and are at a combined 1.9 standard deviations from the predictions based on lepton flavor universality in the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A Gaseous Argon-Based Near Detector to Enhance the Physics Capabilities of DUNE

This document presents the concept and physics case for a magnetized gaseous argon-based detector system (ND-GAr) for the Deep Underground Neutrino Experiment (DUNE) Near Detector. This detector system is required in order for DUNE to reach its full physics potential in the measurement of CP violation and in delivering precision measurements of oscillation parameters. In addition to its critical role in the long-baseline oscillation program, ND-GAr will extend the overall physics program of DUNE. The LBNF high-intensity proton beam will provide a large flux of neutrinos that is sampled by ND-GAr, enabling DUNE to discover new particles and search for new interactions and symmetries beyond those predicted in the Standard Model.

47 OTHER INSTRUMENTATION↗
NASA NTRS2000

Polarimetric Ku-Band Scatterometer for High Accuracy, Large Swath Global Wind Vector Measurements

In the past, wind measurements from space using fan-beam antennas, such as Seasat Scatterometer (SASS-1), ERS-1 &2, and NASA scatterometer (NSCAT), required up to six large stick-like antennas and suffered a nadir gap of up to 400 km. In the near future, a spinning pencil-beam scatterometer system is to be used for the SeaWinds scatterometer on QuikSCAT (QSCAT) and on ADEOS-2 (SeaWinds). This scatterometer, though offering wind measurements in the nadir region, still suffers from degraded performance in the nadir and outer swath. The purpose of this paper is to present an advanced polarimetric spinning pencil-beam scatterometer system, which can significantly improve the wind performance across the entire swath. The polarimetric scatterometer simultaneously measures co-polarized backscatter and the polarimetric correlation of co- and cross-polarized radar returns from the ocean surface. The advantage over the conventional scatterometer system is that, while the co-polarization radar returns are even function of the wind direction, the polarimetric correlation is an odd function of wind direction due to the reflection symmetry of the wind roughened surface. Therefore, this polarimetric scatterometer system can provide additional, equivalent measurements at azimuth angle 45degree away from the corresponding co-polarization measurements. The combined co-polarization and correlation measurements enable good wind performance across the whole swath to be obtained. In this paper, we will first present the theoretical formulation of all of the key components required for designing a polarimetric scatterometer. Then, we show that good wind performance can be achieved by a slight improvement in the signal-to-noise ratio of the current QSCAT/SeaWinds design. We then present the predicated wind performance using computer simulation based on a model function for the co-polarized backscatter obtained from actual spaceborne scatterometer data and an estimated model function for the polarimetric correlation based on the asymmetry observed in backscatter data. Finally, we will show that, aside from ocean applications, this polarimetric scatterometer can also be used for ice and land applications.

Tsai, Wu-Yang↗
DOE OSTI2021

Identification and correction of temporal and spatial distortions in scanning transmission electron microscopy

Scanning transmission electron microscopy (STEM) has become the technique of choice for quantitative characterization of atomic structure of materials, where the minute displacements of atomic columns from high-symmetry positions can be used to map strain, polarization, octahedra tilts, and other physical and chemical order parameter fields. The latter can be used as inputs into mesoscopic and atomistic models, providing insight into the correlative relationships and generative physics of materials on the atomic level. However, these quantitative applications of STEM necessitate understanding the microscope induced image distortions and developing the pathways to compensate them both as part of a rapid calibration procedure for in situ imaging, and the post-experimental data analysis stage. Here, we explore the spatiotemporal structure of the microscopic distortions in STEM using multivariate analysis of the atomic trajectories in the image stacks. Based on the behavior of principal component analysis (PCA), we develop the Gaussian process (GP)-based regression method for quantification of the distortion function. The limitations of such an approach and possible strategies for implementation as a part of in-line data acquisition in STEM are discussed. Here, the analysis workflow is summarized in a Jupyter notebook that can be used to retrace the analysis and analyze the reader's data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Comparison between Invariant and Equivariant Classical and Quantum Graph Neural Networks

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, have greatly motivated the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, we can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we provide a fair and comprehensive comparison of classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their area under the curve (AUC) scores, the quantum networks were found to outperform the classical networks. However, seeing the computational advantage of quantum networks in practice may have to wait for the further development of quantum technology and its associated application programming interfaces (APIs).

Forestano, Roy T. (ORCID:0000000203552076)↗
DOE OSTI2021

Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices

Due to the presence of non-linear equations, iterative Green’s function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular solutions was not performed before. In this work, we use two-particle density matrices to investigate local spin and charge correlators that quantify the charge resonance and covalent characters of these solutions. When applied within the unrestricted orbital set, spin correlators elucidate the broken symmetry of the solutions, containing necessary information for building effective magnetic Hamiltonians. Based on GW and GF2 calculations of simple molecules and transition metal complexes, we construct Heisenberg Hamiltonians, four-spin-four-center corrections, and biquadratic spin–spin interactions. These Hamiltonian parameterizations are compared to previous wave-function calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Hybridization of Excited Interlayer Excitons with Intralayer Excitons in Transition-Metal Dichalcogenide Heterostructures: Interplay of Orbital and Structural Symmetry

Hybridization between interlayer exciton (ILX) and intralayer excitons offers a powerful route to engineer light–matter interactions in transition-metal dichalcogenide (TMDC) heterostructures, yet the underlying mechanism and selection rules remain elusive. Here we probe exciton hybridization in MoTe2/MoSe2 heterobilayers under a tunable out-of-plane electric field and observe distinct avoided crossings in the electric-field dependent reflection spectra. We associate them with coupling between excited ILX states, including the 2p and 2s Rydberg states, and MoTe2 intralayer exciton. Supported by ab initio GW plus Bethe-Salpeter equation (GW-BSE) calculations, we identify the hybridizing states and establish optical selection rules based on the effective angular momentum of the exciton states. These findings highlight the role of excitonic binding in the observed hybridization, rather than that of simple band-mixing models, and provide a new pathway for brightening high-energy dark states.

Yao, Helen [Department of Materials Science and En↗
DOE OSTI2020

Effective field theory for quasicrystals and phasons dynamics

We build an effective field theory (EFT) for quasicrystals -- aperiodic incommensurate lattice structures -- at finite temperature, entirely based on symmetry arguments and a well-define action principle. By means of Schwinger-Keldysh techniques, we derive the full dissipative dynamics of the system and we recover the experimentally observed diffusion-to-propagation crossover of the phason mode. From a symmetry point of view, the diffusive nature of the phason at long wavelengths is due to the fact that the internal translations, or phason shifts, are symmetries of the system with no associated Noether currents. The latter feature is compatible with the EFT description only because of the presence of dissipation (finite temperature) and the lack of periodic order. Finally, we comment on the similarities with certain homogeneous holographic models and we formally derive the universal relation between the pinning frequency of the phonons and the damping and diffusion constant of the phason.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

Geometry and physical conditions in the stellar wind of AG Carinae

AG Carinae is one of the prototypes of the class of Luminous Blue Variables (LBVs). Since 1990 the star has continuously brightened in its visual continuum. We report on a multi-instrument and -wavelength observing campaign to monitor the current activity phase of AG Car. Ground-based photometry, polarimetry, spectroscopy, and space-ultraviolet spectroscopy and spectropolarimetry have been obtained. From the variability of the polarization at ultraviolet and optical wavelengths we detect significant intrinsic polarization. P(sub int) greater than or equal to 0.5% is a large value for a hot, luminous star, suggesting departure from spherical symmetry in the wind of AG Car. The intrinsic polarization is variable on a timescale of 2 months or less. The measured ultraviolet polarization (intrinsic + interstellar) dropped to 0.5% in 1992 May and returned to 1% in 1992 July. The results are interpreted in terms of a variable outflow with a density enhancement in the equatorial plane. A similar model was suggested for the related object R127 in the Large Magellanic Cloud (LMC). This geometry is reminiscent of the large-scale morphology of the gas nebula and dust 'jet' surrounding AG Car. It is therefore likely that physical conditions close to the stellar surface are responsible for the geometry of the spatially resolved circumstellar material around AG Car. Despite the drastic change of the photospheric conditions, the mass-loss rate did not increase. We find no evidence for a positive correlation between wind density and stellar radius. This makes models that explain the radius increase by opacity effects in the outflow unlikely. The mechanism responsible for the temperature and radius variations is still unknown but most likely has its origin in subphotospheric regions.

Leitherer, Claus↗
NASA NTRS2005

Characterization of Unsteady Flow Structures Around Tandem Cylinders for Component Interaction Studies in Airframe Noise

A joint computational and experimental study has been performed at NASA Langley Research Center to investigate the unsteady flow generated by the components of an aircraft landing gear system. Because the flow field surrounding a full landing gear is so complex, the study was conducted on a simplified geometry consisting of two cylinders in tandem arrangement to isolate and characterize the pertinent flow phenomena. This paper focuses on the experimental effort where surface pressures, 2-D Particle Image Velocimetry, and hot-wire anemometry were used to document the flow interaction around the two cylinders at a Reynolds Number of 1.66 x 10(exp 5), based on cylinder diameter, and cylinder spacing-todiameter ratios, L/D, of 1.435 and 3.70. Transition strips were applied to the forward cylinder to produce a turbulent boundary layer upstream of the flow separation. For these flow conditions and L/D ratios, surface pressures on both the forward and rear cylinders show the effects of L/D on flow symmetry, base pressure, and the location of flow separation and attachment. Mean velocities and instantaneous vorticity obtained from the PIV data are used to examine the flow structure between and aft of the cylinders. Shedding frequencies and spectra obtained using hot-wire anemometry are presented. These results are compared with unsteady, Reynolds-Averaged Navier-Stokes (URANS) computations for the same configuration in a companion paper by Khorrami, Choudhari, Jenkins, and McGinley (2005). The experimental dataset produced in this study provides information to better understand the mechanisms associated with component interaction noise, develop and validate time-accurate computer methods used to calculate the unsteady flow field, and assist in modeling of the radiated noise from landing gears.

Jenkins, Luther N.↗
DOE OSTI2021

Tuning of lattice oxygen reactivity and scaling relation to construct better oxygen evolution electrocatalyst

Developing efficient and low-cost electrocatalysts for oxygen evolution reaction is crucial in realizing practical energy systems for sustainable fuel production and energy storage from renewable energy sources. However, the inherent linear scaling relation for most catalytic materials imposes a theoretical overpotential ceiling, limiting the development of efficient electrocatalysts. Herein, using modeled Na x Mn 3 O 7 materials, we report an effective strategy to construct better oxygen evolution electrocatalyst through tuning both lattice oxygen reactivity and scaling relation via alkali metal ion mediation. Specifically, the number of Na + is linked with lattice oxygen reactivity, which is determined by the number of oxygen hole in oxygen lone-pair states formed by native Mn vacancies, governing the barrier symmetry between O–H bond cleavage and O–O bond formation. On the other hand, the presence of Na + could have specific noncovalent interaction with pendant oxygen in *OOH to overcome the limitation from linear scaling relation, reducing the overpotential ceiling. Combining in situ spectroscopy-based characterization with first-principles calculations, we demonstrate that an intermediate level of Na + mediation (NaMn 3 O 7 ) exhibits the optimum oxygen evolution activity. This work provides a new rational recipe to develop highly efficient catalyst towards water oxidation or other oxidative reactions through tuning lattice oxygen reactivity and scaling relation.

36 MATERIALS SCIENCE↗