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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Clusters have edges: the projected phase-space structure of SDSS redMaPPer clusters

ABSTRACT We study the distribution of line-of-sight velocities of galaxies in the vicinity of Sloan Digital Sky Survey (SDSS) red-sequence Matched-filter Probabilistic Percolation (redMaPPer) galaxy clusters. Based on their velocities, galaxies can be split into two categories: galaxies that are dynamically associated with the cluster, and random line-of-sight projections. Both the fraction of galaxies associated with the galaxy clusters, and the velocity dispersion of the same, exhibit a sharp feature as a function of radius. The feature occurs at a radial scale Redge ≈ 2.2Rλ, where Rλ is the cluster radius assigned by redMaPPer. We refer to Redge as the ‘edge radius’. These results are naturally explained by a model that further splits the galaxies dynamically associated with a galaxy cluster into a component of galaxies orbiting the halo and an infalling galaxy component. The edge radius Redge constitutes a true ‘cluster edge’, in the sense that no orbiting structures exist past this radius. A companion paper tests whether the ‘halo edge’ hypothesis holds when investigating the full three-dimensional phase-space distribution of dark matter substructures in numerical simulations, and demonstrates that this radius coincides with a suitably defined splashback radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Spin crossovers and superdiffusion in the one-dimensional Hubbard model

We use tools from integrability and generalized hydrodynamics to study finite-temperature dynamics in the one-dimensional Hubbard model. First, we examine charge, spin, and energy transport away from half-filling and zero magnetization, focusing on the strong coupling regime where we identify a rich interplay of temperature and energy scales, with crossovers between distinct dynamical regimes. We identify an intermediate-temperature regime analogous to the spin-incoherent Luttinger liquid, where spin degrees of freedom are hot but charge degrees of freedom are at low temperature. We demonstrate that the spin Drude weight exhibits sharp features at the crossover between this regime and the low-temperature Luttinger liquid regime, which are absent in the charge and energy response, and rationalize this behavior in terms of the properties of Bethe ansatz quasiparticles.We then turn to the dynamics along special lines in the phase diagram corresponding to half-filling and/or zero magnetization where on general grounds we anticipate that the transport is subballistic but superdiffusive. We provide analytical and numerical evidence for Kardar-Parisi-Zhang (KPZ) dynamical scaling (with length and time scales related via x ~ t 2/3 ) along both lines and at the SO(4)-symmetric point where they intersect. Furthermore, our results suggest that both spin-coherence crossovers and KPZ scaling may be accessed in near-term experiments with optical lattice Hubbard emulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation

Green's functions of fermions are described by matrix-valued Herglotz-Nevanlinna functions. Since analytic continuation is fundamentally an ill-posed problem, the causal space described by the matrix-valued Herglotz-Nevanlinna structure can be instrumental in improving the accuracy and in enhancing the robustness with respect to noise. We demonstrate a three-pronged procedure for robust analytic continuation called PES: (1) projection of data to the causal space; (2) estimation of pole locations; and (3) semidefinite relaxation within the causal space. We compare the performance of PES with the recently developed Nevanlinna and Carathéodory continuation methods and find that PES is more robust in the presence of noise and does not require the usage of extended precision arithmetics. We also demonstrate that a causal projection improves the performance of the Nevanlinna and Carathéodory methods. The PES method is generalized to bosonic response functions, for which the Nevanlinna and Carathéodory continuation methods have not yet been developed. Furthermore, it is particularly useful for studying spectra with sharp features, as they occur in the study of molecules and band structures in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Resonant inelastic x-ray scattering in the topological semimetal FeSi

The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the electronic structure of the three-dimensional bulk. In this paper, we present a joint theory-experiment study of the electronic structure of a candidate topological semimetal with resonant inelastic x-ray scattering (RIXS). We resolve the bulk electronic states of FeSi using momentum-dependent RIXS at the Fe L 3 edge. We observe a broad excitation continuum devoid of sharp features, consistent with particle-hole scattering in an underlying electronic band structure. Using density functional theory (DFT), we calculate the electronic structure of FeSi and derive a band theory formulation of RIXS in the fast collision approximation to model the scattering process with zero adjustable parameters. While band theory predicts an excitation continuum with broad spectral features similar to the observed ones, discrepancies between theory and experiment suggest the presence of low-energy processes that DFT alone does not account for. Further, this study of RIXS in a topological semimetal shows that RIXS is a useful tool for revealing unanticipated behavior of bulk electronic states in this class of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Low-energy edge signatures of the Kitaev spin liquid

Recent experimental work indicates that the Kitaev spin liquid may be realizable close to zero magnetic field in exfoliated 𝛼−RuCl 3 flakes, thus providing a more versatile setting for studying non-Abelian anyons. Here, we propose a robust nanoscale signature of the Kitaev spin liquid that results from its edge states and manifests in the low-energy spin dynamics. In particular, we highlight a singular peak in the dynamical spin structure factor of a zigzag edge whose energy scales linearly with only one component of the magnetic field. This sharp feature in the local spin dynamics directly reflects the bond-directional Kitaev spin interactions and, more generally, the projective symmetries of the Kitaev spin liquid. In conclusion, we demonstrate that our proposed signature survives in the presence of edge disorder as well as non-Kitaev interactions, and provide detailed guidelines for experimentally observing it using inelastic electron tunneling spectroscopy and color-center relaxometry.

Color centers↗
DOE OSTI2024

Physically interpretable approximations of many-body spectral functions

The rational function approximation provides a natural and interpretable representation of response functions such as the many-body spectral functions. We apply the vector fitting (VFIT) algorithm to fit a variety of spectral functions calculated from the Holstein model of electron-phonon interactions. We show that the resulting rational functions are highly efficient in their fitting of sharp features in the spectral functions, and could provide a means to infer physically relevant information from a spectral data set. The position of the peaks in the approximated spectral function are determined by the location of poles in the complex plane. Additionally, we developed a variant of VFIT that incorporates regularization to improve the quality of fits. With this procedure, we demonstrate it is possible to achieve accurate spectral function fits that vary smoothly as a function of physical conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Resolving Continua of Fractional Excitations by Spinon Echo in THz 2D Coherent Spectroscopy

We show that the new technique of terahertz 2D coherent spectroscopy is capable of giving qualitatively new information about fractionalized spin systems. For the prototypical example of the transverse field Ising chain, we demonstrate theoretically that, despite the broad continuum of excitations in linear response, the 2D spectrum contains sharp features that are a coherent signature of a “spinon echo,” which gives previously inaccessible information such as the lifetime of the two-spinon excited state. Here, the effects of disorder and finite lifetime, which are practically indistinguishable in the linear optical or neutron response, manifest in dramatically different fashion in the 2D spectra. Our results may be directly applicable to model quasi-1D transverse field Ising chain systems such as CoNb 2 O 6 , but the concept can be applied to fractionalized spin systems in general.

1-dimensional spin chains↗
DOE OSTI2014

Balancing act: Evidence for a strong subdominant d -wave pairing channel in Ba 0.6 K 0.4 Fe 2 As 2

We present detailed measurements of the temperature-dependent Raman spectra of optimally doped Ba 0.6 K 0.4 Fe 2 As 2 and analyze the low-temperature spectra based on local-density-approximation band-structure calculations and the subsequent estimation of effective Raman vertices. Experimentally, a narrow, emergent mode appears in the B 1g (d x 2 -y 2 ) Raman spectra only below T c , well into the superconducting state and at an energy below twice the energy gap on the electron Fermi-surface sheets. The Raman spectra can be reproduced quantitatively with estimates for the magnitude and momentum-space structure of an A 1g (s-wave) pairing gap on different Fermi-surface sheets, as well as the identification of the emergent sharp feature as a Bardasis-Schrieffer exciton. Formed as a Cooper-pair bound state in a subdominant d x 2 -y 2 channel, the binding energy of the exciton relative to the gap edge shows that the coupling strength in the subdominant channel is as strong as 60% of that in the dominant s-wave channel. This result suggests that d x 2 -y 2 may be the dominant pairing symmetry in Fe-based superconductors that lack central hole bands.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Healing X-ray scattering images

X-ray scattering images contain numerous gaps and defects arising from detector limitations and experimental configuration. Here, we present a method to heal X-ray scattering images, filling gaps in the data and removing defects in a physically meaningful manner. Unlike generic inpainting methods, this method is closely tuned to the expected structure of reciprocal-space data. In particular, we exploit statistical tests and symmetry analysis to identify the structure of an image; we then copy, average and interpolate measured data into gaps in a way that respects the identified structure and symmetry. Importantly, the underlying analysis methods provide useful characterization of structures present in the image, including the identification of diffuse versus sharp features, anisotropy and symmetry. The presented method leverages known characteristics of reciprocal space, enabling physically reasonable reconstruction even with large image gaps. The method will correspondingly fail for images that violate these underlying assumptions. The method assumes point symmetry and is thus applicable to small-angle X-ray scattering (SAXS) data, but only to a subset of wide-angle data. Our method succeeds in filling gaps and healing defects in experimental images, including extending data beyond the original detector borders.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Estimation and Visualization of Isosurface Uncertainty from Linear and High-Order Interpolation Methods

Isosurface visualization is fundamental for exploring and analyzing 3D volumetric data. Marching cubes (MC) algorithms with linear interpolation are commonly used for isosurface extraction and visualization. Although linear interpolation is easy to implement, it has limitations when the underlying data is complex and high-order, which is the case for most real-world data. Linear interpolation can output vertices at the wrong location. Its inability to deal with sharp features and features smaller than grid cells can lead to an incorrect isosurface with holes and broken pieces. Despite these limitations, isosurface visualizations typically do not include insight into the spatial location and the magnitude of these errors. We utilize high-order interpolation methods with MC algorithms and interactive visualization to highlight these uncertainties. Our visualization tool helps identify the regions of high interpolation errors. It also allows users to query local areas for details and compare the differences between isosurfaces from different interpolation methods. In addition, we employ high-order methods to identify and reconstruct possible features that linear methods cannot detect. We showcase how our visualization tool helps explore and understand the extracted isosurface errors through synthetic and real-world data.

Ouermi, Timbwaoga↗
DOE OSTI2013

Advanced Topographic Characterization of Variously Prepared Niobium Surfaces and Linkage to RF Losses

Superconducting radio frequency (SRF) technology is widely adopted in particle accelerators. The shallow penetration (~ 40 nm) of the RF into superconducting niobium lends great importance to SRF cavity interior surface chemistry and topography. These in turn are strongly influenced by the chemical etching "surface clean-up" that follows fabrication. The principal surface smoothing methods are buffered chemical polish (BCP) and electropolish (EP). The resulting topography is characterized by atomic force microscopy (AFM). The power spectral density (PSD) of AFM data provides a more thorough description of the topography than a single-value roughness measurement. In this work, one dimensional average PSD functions derived from topography of BCP and EP with different controlled starting conditions and durations have been fitted with a combination of power law, K-correlation, and shifted Gaussian models to extract characteristic parameters at different spatial harmonic scales. While the simplest characterizations of these data are not new, the systematic tracking of scale-specific roughness as a function of processing is new and offers feedback for tighter process prescriptions more knowledgably targeted at beneficial niobium topography for SRF applications. Process development suffers because the cavity interior surface cannot be viewed directly without cutting out pieces, rendering the cavities unavailable for further study. Here we explore replica techniques as an alternative, providing imprints of cavity internal surface that can be readily examined. A second matter is the topography measurement technique used. Atomic force microscopy (AFM) has proven successful, but too time intensive for routine use. We therefore introduce white light interferometry (WLI) approach as an alternative. We examined real surfaces and their replicas, using AFM and WLI. We find that the replica/WLI is promising to provide the large majority of desired information, so that use of the time-intensive AFM approach can be limited to where it is genuinely necessary. The prevalent idea is that sharp features could lead to magnetic quench or enhance the thermal quench. In this report, a calculation on magnetic field is numerically given on fine structure by finite element and conformal mapping methods. Corresponding RF Ohmic loss will be simulated. A certain thermal tolerant will be calculated. A Q~E curve will be predicted from this model. A perturbation model is utilized to calculate rough surface additional RF loss based on PSD statistical analysis. This model will not consider that superconductor will become normal at field higher than transition field. Therefore, it is only expected to explain mid-field Q performance. One can calculate the RF power dissipation ratio between rough surface and ideal smooth surface within this field range. Additionally, the resistivity of Nb is temperature and magnetic field dependent from classic thermal feedback model theory. Combining with topographic PSD analysis and Rs temperature and field dependency, a middle field Q slope model could be modeled and the contribution from topography can be simulated.

Xu, Chen↗
DOE OSTI2018

Rapid Freeform Sheet Metal Forming: Technology Development and System Verification

The objective of this project is to develop a transformational RApid Freeform sheet metal Forming Technology (RAFFT) in an industrial environment, which has the potential to increase manufacturing energy efficiency up to ten times, at a fraction of the cost of conventional technologies. The RAFFT technology is a flexible and energy-efficient process that eliminates the need for having geometry-specific forming dies. The innovation lies in the idea of using the energy resource at the local deformation area which provides greater formability, process control, and process flexibility relative to traditional methods. Double-Sided Incremental Forming (DSIF), the core technology in RAFFT, is a new concept for sheet metal forming. A blank sheet is clamped around its periphery and gradually deformed into a complex 3D freeform part by two strategically aligned stylus-type tools that follow a pre-described toolpath. The two tools, one on each side of the blank, can form a part with sharp features for both concave and convex shapes. Since deformation happens locally, the forming force at any instant is significantly decreased when compared to traditional methods. The key advantages of DSIF are its high process flexibility, high energy-efficiency, low capital investment, and the elimination of the need for massive amounts of die casting and machining. Additionally, the enhanced formability and process flexibility of DSIF can open up design spaces and result in greater weight savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications

Modeling atmospheres of hot exoplanets and brown dwarfs requires high- T databases that include methane as the major hydrocarbon. We report a complete theoretical line list of {sup 12}CH{sub 4} in the infrared range 0–13,400 cm{sup −1} up to T {sub max} = 3000 K computed via a full quantum-mechanical method from ab initio potential energy and dipole moment surfaces. Over 150 billion transitions were generated with the lower rovibrational energy cutoff 33,000 cm{sup −1} and intensity cutoff down to 10{sup −33} cm/molecule to ensure convergent opacity predictions. Empirical corrections for 3.7 million of the strongest transitions permitted line position accuracies of 0.001–0.01 cm{sup −1}. Full data are partitioned into two sets. “Light lists” contain strong and medium transitions necessary for an accurate description of sharp features in absorption/emission spectra. For a fast and efficient modeling of quasi-continuum cross sections, billions of tiny lines are compressed in “super-line” libraries according to Rey et al. These combined data will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru), which provides a user-friendly interface for simulations of absorption coefficients, cross-sectional transmittance, and radiance. Comparisons with cold, room, and high- T experimental data show that the data reported here represent the first global theoretical methane lists suitable for high-resolution astrophysical applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Constraints on the photon mass with fast radio bursts

Fast radio bursts (FRBs) are radio bursts characterized by millisecond durations, high Galactic latitude positions, and high dispersion measures. Very recently, the cosmological origin of FRB 150418 has been confirmed by Keane et al., and FRBs are now strong competitors as cosmological probes. The simple sharp feature of the FRB signal is ideal to probe some of the fundamental laws of physics. Here we show that by analyzing the delay time between different frequencies, the FRB data can place stringent upper limits on the rest mass of the photon. For FRB 150418 at z = 0.492, one can potentially reach m{sub γ}⩽5.2×10{sup −47} g, which is 10{sup 20} times smaller than the rest mass of electron and is about 10{sup 3} times smaller than that obtained using other astrophysical sources with the same method.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Proceedings of the NASA Workshop on Registration and Rectification

Issues associated with the registration and rectification of remotely sensed data. Near and long range applications research tasks and some medium range technology augmentation research areas are recommended. Image sharpness, feature extraction, inter-image mapping, error analysis, and verification methods are addressed.

Bryant, N. A.↗
NASA NTRS1988

Growth of electron plasma waves above and below f(p) in the electron foreshock

This paper investigates the conditions required for electron beams to drive wave growth significantly above and below the electron plasma frequency, f(p), by numerically solving the linear dispersion equation. It is shown that kinetic growth well below f(p) may occur over a broad range of frequencies due to the beam instability, when the electron beam is slow, dilute, and relatively cold. Alternatively, a cold or sharp feature at low parallel velocities in the distribution function may drive kinetic growth significantly below f(p). Kinetic broadband growth significantly above f(p) is explained in terms of faster warmer beams. A unified qualitative theory for the narrow-band and broad-band waves is proposed.

Cairns, Iver H.↗
NASA NTRS1991

Non-Gaussian microwave background fluctuations from nonlinear gravitational effects

Whether the statistics of primordial fluctuations for structure formation are Gaussian or otherwise may be determined if the Cosmic Background Explorer (COBE) Satellite makes a detection of the cosmic microwave-background temperature anisotropy delta T(sub CMB)/T(sub CMB). Non-Gaussian fluctuations may be generated in the chaotic inflationary model if two scalar fields interact nonlinearly with gravity. Theoretical contour maps are calculated for the resulting Sachs-Wolfe temperature fluctuations at large angular scales (greater than 3 degrees). In the long-wavelength approximation, one can confidently determine the nonlinear evolution of quantum noise with gravity during the inflationary epoch because: (1) different spatial points are no longer in causal contact; and (2) quantum gravity corrections are typically small-- it is sufficient to model the system using classical random fields. If the potential for two scalar fields V(phi sub 1, phi sub 2) possesses a sharp feature, then non-Gaussian fluctuations may arise. An explicit model is given where cold spots in delta T(sub CMB)/T(sub CMB) maps are suppressed as compared to the Gaussian case. The fluctuations are essentially scale-invariant.

Salopek, D. S.↗
NASA NTRS1990

Statistical analysis of near-wall structures in turbulent channel flow

The two-point correlation tensor is used to analyze near-wall structures in turbulent channel flow. Simulation results have been utilized to obtain the correlation tensor with sufficient spatial resolution to permit accurate differentiation for computing the vorticity correlation, and the resolution of sharp features such as the shear layer and its corresponding region of spanwise vorticity. Proper orthogonal decomposition and stochastic estimation were observed to yield similar results when appropriate conditions were employed for the estimation. Resulting structures were such that they would be detected by standard conditional sampling methods. The results of decomposing the vorticity field and the velocity field were significantly different, indicating that if a coherent structure is found that dominates the velocity fields, the curl of that velocity structure will not dominate the vorticity field.

Moser, Robert D.↗