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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 37 records · Page 2

Materials and Morphology Study for Templated Hydrogen Solidification

In this work, we performed a series of experiments to elucidate the characteristics of a good template for solid hydrogen nucleation. Zinc stands out among several materials with comparable size and shape. Nucleation could be observed to occur on top of sharp features, such as grain boundaries and cracks, but our attempts proved unsuccessful to fabricate or replicate such features. The variations of the supercooling (ΔT) values measured for comparable samples and the dependence of ΔT on the cell temperature cycling revealed that templated nucleation of solid hydrogen is a very delicate process.

08 HYDROGEN↗

Prospects for annihilating Dark Matter towards Milky Way's dwarf galaxies by the Cherenkov Telescope Array

We derive the Cherenkov Telescope Array (CTA) sensitivity to dark matter (DM) annihilation in several primary channels, over a broad range of DM masses. These sensitivities are estimated when CTA is pointed towards a large sample of Milky Way's dwarf spheroidal galaxies (dSphs) with promising J -factors and small statistical uncertainties. This analysis neglects systematic uncertainties, which we estimate at the level of at least 1 dex. We also present sensitivities on the annihilation cross section from a combined analysis of 4 dSphs. We assess the CTA sensitivity by: i ) using, for each dSph, a recent determination of the J -factor and its statistical error; ii ) considering the most up-to-date cosmic ray background; and iii ) including both spatial and spectral terms in the likelihood analysis. We find that a joint spectral and spatial analysis improves the CTA sensitivity, in particular for primary channels with sharp features in the γ-ray energy spectrum and for dSphs with steep J -factor profiles, as deduced from the internal kinematics. The greatest sensitivities are obtained for observations of Ursa Minor among the classical dSphs and of Ursa Major II for ultra-faint dSphs.

79 ASTRONOMY AND ASTROPHYSICS↗

An emulator for the Lyman-α forest in beyond-ΛCDM cosmologies

Interpreting observations of the Lyman-α forest flux power spectrum requires interpolation between a small number of expensive simulations. We present a Gaussian process emulator modelling the 1D flux power spectrum as a function of the amplitude and slope of the small-scale linear matter power spectrum, and the state of the intergalactic medium at the epoch of interest (2 < z < 4). This parameterisation enables the prediction of the flux power spectrum in extended cosmological models that are not explicitly included in the training set, eliminating the need to construct bespoke emulators for a number of extensions to ΛCDM. Our emulator is appropriate for cosmologies in which the linear matter power spectrum is described to percent level accuracy by just an amplitude and slope across the epoch of interest, and in the regime probed by eBOSS/DESI data. We demonstrate this for massive neutrino cosmologies, where the emulator is able to predict the flux power spectrum in a Σm ν = 0.3 eV neutrino cosmology to sub-percent accuracy, without including massive neutrinos in the training simulations. Further parameters would be required to describe models with sharp features in the linear power, such as warm or light axion dark matter. This work will facilitate the combination of upcoming DESI data with observations of the cosmic microwave background, to obtain constraints on neutrino mass and other extensions to ΛCDM cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

Bayesian Spatially Varying Multi-Regularization Image Deblurring

Many scientific experiments such as those found in astronomy, geology, microbiology, and X-ray radiography require the use of high-energy instruments to capture images. Since blur and noise are inevitably present in any imaging system, the images must be \deblurred" to extract the full information content. Mathematically, image deblurring is an ill-posed inverse problem that requires regularization. The regularization, in turn, has a large effect on the deblurred image: different regularization strengths, and types, lead to drastically different reconstructions. Moreover, many images contain a mixture of smooth and sharp features which suggests the use of multi-regularization, i.e., varying the type of regularization (e.g. Tikhonov or total variation) across the image. We address these issues by formulating the image deblurring problem within a hierarchical Bayesian framework in which we spatially adapt the strength of the regularization and also vary the regularization type across the image. In this way, the image itself, along with corresponding regularization strength at each pixel, are described jointly by a posterior distribution which we can sample by Markov chain Monte Carlo (MCMC) methods. We illustrate our techniques on simplified test problems and apply them to high-energy X-ray images taken at the Nevada National Security Site. Numerical tests show that our new method is robustly applicable and increases the quality of the image reconstruction when compared to other (Bayesian) methods.

97 MATHEMATICS AND COMPUTING↗

Consistency relations for sharp inflationary non-Gaussian features

If cosmic inflation suffered tiny time-dependent deviations from the slow-roll regime, these would induce the existence of small scale-dependent features imprinted in the primordial spectra, with their shapes and sizes revealing information about the physics that produced them. Small sharp features could be suppressed at the level of the two-point correlation function, making them undetectable in the power spectrum, but could be amplified at the level of the three-point correlation function, offering us a window of opportunity to uncover them in the non-Gaussian bispectrum. In this article, we show that sharp features may be analyzed using only data coming from the three point correlation function parametrizing primordial non-Gaussianity. More precisely, we show that if features appear in a particular non-Gaussian triangle configuration (e.g. equilateral, folded, squeezed), these must reappear in every other configuration according to a specific relation allowing us to correlate features across the non-Gaussian bispectrum. As a result, we offer a method to study scale-dependent features generated during inflation that depends only on data coming from measurements of non-Gaussianity, allowing us to omit data from the power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗

Characterization of Pulmonary Nodules Based on Features of Margin Sharpness and Texture

Lung cancer is the leading cause of cancer-related deaths in the world, and one of its manifestations occurs with the appearance of pulmonary nodules. The classification of pulmonary nodules may be a complex task to specialists due to temporal, subjective, and qualitative aspects. Therefore, it is important to integrate computational tools to the early pulmonary nodule classification process, since they have the potential to characterize objectively and quantitatively the lesions. In this context, the goal of this work is to perform the classification of pulmonary nodules based on image features of texture and margin sharpness. Computed tomography scans were obtained from a publicly available image database. Texture attributes were extracted from a co-occurrence matrix obtained from the nodule volume. Margin sharpness attributes were extracted from perpendicular lines drawn over the borders on all nodule slices. Feature selection was performed by different algorithms. Classification was performed by several machine learning classifiers and assessed by the area under the receiver operating characteristic curve, sensitivity, specificity, and accuracy. Highest classification performance was obtained by a random forest algorithm with all 48 extracted features. However, a decision tree using only two selected features obtained statistically equivalent performance on sensitivity and specificity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Influence of Microstructure on the Absorption of Tritium into Gold-Plated 316 Stainless Steel

The interaction of tritium with metal surfaces is the initial step in the overall absorption of tritium by the substrate metal. As a result, limiting the adsorption of tritium to the surface may effectively reduce the quantity of tritium absorbed by a metal when it is in contact with tritium gas. To limit tritium adsorption, many tritium users electroplate gold onto the substrate metal. The gold layer is expected to reduce tritium adsorption, and subsequently absorption, by reducing water adsorption. The present work shows a comparison between tritium inventories in nonplated 316 stainless steel to the inventories in 316 stainless-steel samples electroplated with gold by various commercial vendors and laboratories. Of the various gold-plated samples, only one type of plating shows ~25% reduction in tritium inventory, relative to non-plated steel samples. The degree of tritium absorption appears to be significantly influenced by the porosity, texture, and completeness of the gold layer. Incomplete and/or porous layers lead to increased absorption, while gold layers with smaller surface features lead to similar tritium inventories as non-plated samples. Furthermore, reduced tritium absorption was observed only for complete gold layers with small surface features.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗