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DOE OSTI2021

Computing Edge States without Hard Truncation

We present a numerical method which accurately computes the discrete spectrum and associated bound states of semi-infinite Hamiltonians which model electronic “edge” states localized at boundaries of one- and two-dimensional crystalline materials. The problem is nontrivial since arbitrarily large finite “hard” (Dirichlet) truncations of the Hamiltonian in the infinite bulk direction tend to produce spurious bound states partially supported at the truncation. Our method, which overcomes this difficulty, is to compute the Green's function of the semi-infinite Hamiltonian by imposing an appropriate boundary condition in the bulk direction; then, the spectral data is recovered via Riesz projection. We demonstrate our method's effectiveness by studies of edge states at a graphene zig-zag edge in the presence of defects modeled both by a discrete tight-binding model and a continuum PDE model under finite difference discretization. Our method may also be used to study states localized at domain wall-type edges in one- and two-dimensional materials where the edge Hamiltonian is infinite in both directions; we demonstrate this for the case of a tight-binding model of distinct honeycomb structures joined along a zig-zag edge. Here, we expect our method to be useful for designing novel devices based on precise wave-guiding by edge states.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Laser cooling of antihydrogen atoms

The photon—the quantum excitation of the electromagnetic field—is massless but carries momentum. A photon can therefore exert a force on an object upon collision 1 . Slowing the translational motion of atoms and ions by application of such a force 2,3 , known as laser cooling, was first demonstrated 40 years ago 4,5 . It revolutionized atomic physics over the following decades 6–8 , and it is now a workhorse in many fields, including studies on quantum degenerate gases, quantum information, atomic clocks and tests of fundamental physics. However, this technique has not yet been applied to antimatter. Here we demonstrate laser cooling of antihydrogen 9 , the antimatter atom consisting of an antiproton and a positron. By exciting the 1S–2P transition in antihydrogen with pulsed, narrow-linewidth, Lyman-α laser radiation 10,11 , we Doppler-cool a sample of magnetically trapped antihydrogen. Although we apply laser cooling in only one dimension, the trap couples the longitudinal and transverse motions of the anti-atoms, leading to cooling in all three dimensions. We observe a reduction in the median transverse energy by more than an order of magnitude—with a substantial fraction of the anti-atoms attaining submicroelectronvolt transverse kinetic energies. We also report the observation of the laser-driven 1S–2S transition in samples of laser-cooled antihydrogen atoms. The observed spectral line is approximately four times narrower than that obtained without laser cooling. The demonstration of laser cooling and its immediate application has far-reaching implications for antimatter studies. A more localized, denser and colder sample of antihydrogen will drastically improve spectroscopic 11–13 and gravitational 14 studies of antihydrogen in ongoing experiments. Furthermore, the demonstrated ability to manipulate the motion of antimatter atoms by laser light will potentially provide ground-breaking opportunities for future experiments, such as anti-atomic fountains, anti-atom interferometry and the creation of antimatter molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Spectral density reconstruction with Chebyshev polynomials

Accurate calculations of the spectral density in a strongly correlated quantum many-body system are of fundamental importance to study its dynamics in the linear response regime. Typical examples are the calculation of inclusive and semiexclusive scattering cross sections in atomic nuclei and transport properties of nuclear and neutron star matter. Integral transform techniques play an important role in accessing the spectral density in a variety of nuclear systems. However, their accuracy is in practice limited by the need to perform a numerical inversion which is often ill-conditioned. Here, in the present work we extend a recently proposed quantum algorithm which circumvents this problem. We show how to perform controllable reconstructions of the spectral density over a finite energy resolution with rigorous error estimates. An appropriate expansion in Chebyshev polynomials allows for efficient simulations also on classical computers. We apply our idea to obtain the local density of states for graphene in a magnetic field as a proof of principle. This paves the way for future applications in nuclear and condensed matter physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Dichotomy of flat bands in the van der Waals ferromagnet Fe 5 ⁢GeTe 2

Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables the emergence of many-body physics. On one hand, flat bands can arise from strong Coulomb interactions that localize atomic orbitals. On the other hand, quantum destructive interference can quench the electronic kinetic energy. Although both have a narrow bandwidth, the two types of flat bands should exhibit very distinct spectral properties arising from their distinctive origins. So far, the two types of flat bands have only been realized in very different material settings and chemical environments, preventing a direct comparison. Here, in this study, we report the observation of the two types of flat bands within the same material system—an above-room-temperature van der Waals ferromagnet, Fe 5−x GeTe 2 , distinguishable by a switchable iron site order. The contrasting nature of the flat bands is also identified by the remarkably distinctive temperature evolution of the spectral features, indicating that one arises from electron correlations in the Fe(1) site-disordered phase, while the other geometrical frustration in the Fe(1) site-ordered phase. Our results therefore provide a direct juxtaposition of the distinct formation mechanism of flat bands in quantum materials and an avenue for understanding the distinctive roles flat bands play in the presence of magnetism, topology, and lattice geometrical frustration, utilizing sublattice ordering as a key control parameter.

Wu, Han [Rice Univ., Houston, TX (United States)] ↗

DOE OSTI2022

Spring 2022 update on the status of the Local Wavenumber Model (LWN) in xRAGE

An updated implementation of the Local Wavenumber Model (LWN) is discussed, primarily differing from recent versions by placing a greater focus on capturing a wide variety of turbulent flows including compressible flows. New models are introduced for spectral backscatter effects, the effect of bulk compression on the spectra, and incorporating the multispecies variables tracked in BHR4. Methods for reducing the compurational expense of tracking spectra for turbulent quantites are also investigated. Like recent versions of BHR, we test LWN in a number of canonical flows using a single set of coefficients, but additional coefficient tuning is likely to be required to improve the agreement with some of these flows.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Mariner-9 based simulation of radiative convective temperature changes in the Martian dust-laden atmosphere-soil system

A numerical simulation of radiative, conductive, and convective heat transfer of the Martian dust-laden atmosphere-soil system is presented with particular emphasis given to heating/cooling in regions of sharp variation in temperature or absorption and its resultant impact on outgoing planetary spectral radiance, as measured by the Mariner 9 IRIS. Thermal coupling between the ground and atmospheric subsystems is modeled by the total heat flux balance at the interface. In the simulation procedure, local thermodynamic equilibrium (LTE) is assumed, and a combined strong-weak line transmission function permits short- and long-range exchanges of energy from the surface toward space. Direct absorption of insolation in the near-IR bands by both silicate dust and CO2 is incorporated.

Dannevik, W. P.↗

NASA NTRS1980

Evaluation of multispectral middle infrared aircraft images for lithologic mapping in the East Tintic Mountains, Utah

Six channels of multispectral middle infrared (8 to 14 micron) aircraft scanner data were acquired over the East Tintic mining district, Utah. This area has high relief and moderate vegetation and consists mainly of Tertiary silicic igneous rocks and Paleozoic quartzite and carbonate rocks that have been locally hydrothermally altered. These digital-image data were computer processed to create a color-composite image based on principal component transformations. Color differences in this image are related to the spectral differences in the surface material and allow discrimination of several rock types, depending primarily on their silica content. When combined with a visible and near infrared color-composite image from a previous flight, with limited field checking, it is possible to discriminate quartzite, carbonate rocks, quartz latitic and quartz monzonitic rocks, latitic and monzonitic rocks, silicified altered rocks, argillized altered rocks, and vegetation.

Kahle, A. B.↗

NASA NTRS1993

Spectral evidence for stirring scales and two-dimensional turbulence in the auroral ionosphere

Electric field power spectra from two auroral sounding rocket flights show evidence of a distinct scale size regime for injection of energy into the auroral oval. The signature of this process is a broad plateau in the spectrum, with power law dependences at both shorter and longer scale sizes. We argue that the spectral properties at high k are dominated by processes occurring near the edges of inverted-V electron precipitation regions (auroral arcs). We see no compelling reason to conclude that a linear local plasma instability is occurring but rather, that nonlinear mixing and forward cascade yield the observed velocity field. The spectra of simultaneously observed density irregularities are quite different from those of the electric field, implying that the plasma density does not behave as a passive scalar in the auroral zone during active conditions. At low-k values we show that the rocket spectra are consistent with the power spectra of magnetospheric electric fields measured by the DE, AE-C, and Hilat stallites.

Earle, G. D.↗

NASA NTRS2002

A Rover's-Eye View in the Thermal Infrared: Spectral Adjacency Effects

Due to the unique perspective of thermal infrared spectral measurements of geologic targets taken obliquely from a planetary rover or fixed lander, we have conducted several series of experiments designed to explore the various interferences which may arise from the local environment. Additional information is contained in the original extended abstract.

Horton, K. A.↗

NASA NTRS2008

Intercomparison of SCIAMACHY and OMI Tropospheric NO2 Columns: Observing the Diurnal Evolution of Chemistry and Emissions from Space

Concurrent (August 2006) measurements of tropospheric NO2 columns from OMI aboard Aura (1330 local overpass time) and SCIAMACHY aboard Envisat (1000 local overpass time) offer an opportunity to examine the consistency between the two instruments under tropospheric background conditions and the effect of different observing times. For scenes with tropospheric NO 2 columns <5.0 x 10(exp 15) molecules cm 2, SCIAMACHY and OMI agree within 1.0-2.0 x 10(exp 15) molecules cm 2, consistent with the detection limits of both instruments. We find evidence for a low bias of 0.2 x 10(exp 15) molecules cm 2 in OMI observations over remote oceans. Over the fossil fuel source regions at northern midlatitudes, we find that SCIAMACHY observes up to 40% higher NO2 at 1000 local time (LT) than OMI at 1330 LT. Over biomass burning regions in the tropics, SCIAMACHY observes up to 40% lower NO 2 columns than OMI. These differences are present in the spectral fitting of the data (slant column) and are augmented in the fossil fuel regions and dampened in the tropical biomass burning regions by the expected increase in air mass factor as the mixing depth rises from 1000 to 1330 LT. Using a global 3-D chemical transport model (GEOS-Chem), we show that the 1000-1330 LT decrease in tropospheric NO2 column over fossil fuel source regions can be explained by photochemical loss, dampened by the diurnal cycle of anthropogenic emissions that has a broad daytime maximum. The observed 1000-1330 LT NO2 column increase over tropical biomass burning regions points to a sharp midday peak in emissions and is consistent with a diurnal cycle of emissions derived from geostationary satellite fire counts.

Boersma, K. Folkert↗

NASA NTRS2019

Optical design of the Mapping Imaging Spectrometer for Europa (MISE)

e Mapping Imaging Spectrometer for Europa (MISE) is a high-throughput pushbroom imaging spectrometer designed for NASA’s planned flyby mission to Jupiter’s moon Europa. The MISE design utilizes heritage from previously demonstrated instruments on airborne platforms, while advancing the state of the art to operate within Europa’s challenging environment. The instrument operates at F/1.4 and covers a spectral range from 0.8 to 5 microns with 10 nm spectral sampling. Through high resolution mapping, MISE is designed to identify distributions of organics, salts, acid hydrates, water ice phases, altered silicates, radiolytic compounds, and warm thermal anomalies at global, regional, and local scales. Such distribution maps will help study surface and subsurface geologic processes, and assess the habitability of Europa’s ocean. We discuss the optical specifications and baseline performance of the MISE optical design.

Van Gorp, Byron E.↗

DOE OSTI2026

Relative Source Time Functions, Spectral Ratios, and Near‐Source Spallation in the Source Physics Experiment Phase I Chemical Explosions

The Source Physics Experiment (SPE) Phase I was composed of six chemical explosions at the Nevada National Security Sites (NNSS) between 2011 and 2016. The experiment provided a robust set of dense, local to regional distance observations suitable for characterizing shallow chemical explosions located within the same borehole. We investigate the time-dependent source processes of each chemical explosion using Relative Source Time Function (RSTF) estimation, derived from five linear seismometer profiles located between 100 and 2000 m of the shot location. The RSTF estimate provide a detailed characterization of each chemical explosion's time-history. Subsequent modeling efforts suggest these measurements may be useful for precise characterization of explosion processes and spallation. RSTF estimation allows us to expand our understanding of the SPE Phase I chemical explosion series. Application of these techniques contributes to our understanding of explosion source physics and facilitates future applications to additional seismic source experiments and characterization of explosion phenomenology.

58 GEOSCIENCES↗

DOE OSTI2024

Radiological Source Term Estimation and Isotopic Identification with Parallel Log Domain Particle Filters

This paper presents a parallel log-domain particle filtering algorithm combined with gamma spectrum unfolding to perform localization, identification, and evaluation of multiple point sources of various isotopes in an environment with attenuating obstacles. The method uses sets of precomputed attenuation kernels that map the attenuation characteristics of the environment. These kernels are specific to the energy level of a photopeak of interest. The spectral measurements are deconvolved into count measurements of each photopeak. These count measurements are fed into a set of parallel particle filters using attenuation kernels computed for that photopeak’s energy level. The individual regularized particle filters perform all likelihood calculations in the logarithmic domain to mitigate the effects of particle degeneracy. The output of each particle filter is combined to estimate which isotopes are present as well as their positions and strengths. The performance of the algorithm is characterized in a lab-scale environment using a mobile robot equipped with a gamma ray spectrometer in the presence of up to three different radioactive isotopes simultaneously. The sources were localized to within 10 cm, and their strengths were estimated within 10% of their true values. Furthermore, the isotopes were all correctly identified, and no spurious sources were reported.

42 ENGINEERING↗

NASA NTRS2012

Thermal Properties of Unusual Local-Scale Features on Vesta

On Vesta, the thermal behavior of areas of unusual albedo seen at the local scale can be related to physical properties that can provide information about the origin of those materials. We used Dawn s Visible and Infrared Mapping Spectrometer (VIR) hyperspectral cubes to retrieve surface temperatures and emissivities, with high accuracy as long as temperatures are greater than ~180 K. Data acquired in the Survey phase (23 July through 29 August 2011) show several unusual surface features: 1) high-albedo (bright) and low-albedo (dark) material deposits, 2) spectrally distinct ejecta and pitted materials, 3) regions suggesting finer-grained materials. Some of the unusual dark and bright features were reobserved by VIR in the subsequent High-Altitude Mapping Orbit (HAMO) and Low- Altitude Mapping Orbit (LAMO) phases at increased pixel resolution. In this work we present temperature maps and emissivities of several local-scale features that were observed by Dawn under different illumination conditions and different local solar times. Data from VIR's IR channel show that bright regions generally correspond to regions with lower thermal emission, i.e. lower temperature, while dark regions correspond to areas with higher thermal emission, i.e. higher temperature. This behavior confirms that many of the dark appearances in the VIS mainly reflect albedo variations, and not, for example, shadowing. During maximum daily insolation, dark features in the equatorial region may rise to temperatures greater than 270 K, while brightest features stop at roughly 258 K, local solar time being similar. However, pitted materials, showing relatively low reflectance, have significantly lower temperatures, as a result of differences in composition and/or structure (e.g, average grain size of the surface regolith, porosity, etc.). To complement this work, we provide preliminary values of thermal inertia for some bright and dark features.

Capria, M.↗

DOE OSTI2020

Tip-Enhanced Raman Nanospectroscopy of Smooth Spherical Gold Nanoparticles

We record nanoscale-resolved chemical images of thiobenzonitrile (TBN)-functionalized smooth gold nanospheres on silicon via tip-enhanced Raman (TER) nano-spectroscopy. The recorded images trace the nascence of the familiar doughnut-shaped scattering profile of nanoparticles on silicon at its origin (the particle surface), which appears as a horseshoe-shaped scattering pattern under our experimental conditions. The local optical field maps are in agreement with their simulated finite-difference time-domain analogues. Analysis of the recorded spectra with the aid of ab initio molecular dynamics-based Raman spectral simulations further suggests that optical rectification and molecular charging take place throughout the course of atomic force microscopy-based TER nanoscale chemical imaging.

Bhattarai, Ashish↗

DOE OSTI2026

H I Depletion Begins Well Beyond the Virial Radius: A FAST Stacking Study of 36 Galaxy Clusters to 5 × R 200

Abstract We present a stacking study of the neutral atomic hydrogen (H i ) content in and around 36 local galaxy clusters at z < 0.07, using a combination of the FAST All Sky H i survey (FASHI) and the extensive spectroscopic catalog mainly from the Dark Energy Spectroscopic Instrument (DESI). We employ spectral stacking techniques to probe the average H i mass and HI-to-stellar mass ratio ( M HI / M * ) for member galaxies down to stellar masses of M * ∼ 10 9 M ⊙ , spanning a projected cluster-centric distance of up to 5 R 200 . Our analysis reveals a pronounced environmental effect; both M HI and M HI / M * decrease steadily toward the cluster center, dropping by ∼0.5 dex on average from the outskirts to the core. Crucially, we find that M HI / M * of galaxies remain lower than the field galaxies even at the 5 R 200 . This provides direct, statistical evidence for substantial gas stripping and preprocessing in the cluster outskirts, likely occurring in infalling groups and large-scale filaments. By further splitting the sample by g − r color, we show that the H i deficiency persists at fixed galaxy color; even the bluest cluster members exhibit ∼0.5 dex lower M HI / M * than field galaxies of similar color, reflecting environmental effects on the cold gas reservoir prior to full optical transformation. The total H i mass within clusters and their outskirts agrees broadly with predictions from cosmological simulations. Our results underscore the critical role of the extended cluster environment in quenching galaxies by depleting their cold gas reservoirs well before they enter the dense cluster core.

Cheng, Cheng [Chinese Academy of Sciences South Am↗

NASA NTRS1977

The structure of W49 A as deduced from molecular and recombination line observations

The molecular cloud complex W49 A has been observed in the 2.6-mm CO line, the 2-cm H2CO line, and the H76-alpha recombination line. These observations are most consistent with a picture of the complex in which a large H II region lies between two massive molecular clouds. Using a simple hydrodynamic model coupled with calculations of radiative transfer in the recombination lines, it is found that many of the spectral-line and continuum observations obtained on this region can be naturally explained, including: (1) the multiple structure observed in the molecular lines and the single structure in the recombination lines; (2) the local standard of rest (LSR) velocities of both the molecular and recombination lines; (3) the velocity gradients observed in the lines; (4) the continuum emission from the H II region; and (5) the line widths and line-to-continuum ratios of the recombination lines.

Mufson, S. L.↗

NASA NTRS1980

The formation of arcs in the dynamic spectra of Jovian decameter bursts

A model is presented that can account for several features of the dynamic spectral arcs observed at decameter wavelengths by the planetary radio astronomy experiment on Voyagers 1 and 2. It is shown that refraction of an extraordinary mode wave initially excited nearly orthogonal to the local magnetic field is significantly influenced by the local plasma density, being greater the higher the density. It is assumed that the source of the decameter radiation lies along the L = 6 flux tube and that the highest frequencies are produced at the lowest altitudes, where both the plasma density and magnetic field gradients are largest. It is further assumed that the decameter radiation is emitted into a thin conical sheet, consistent with both observation and theory. In the model the emission cone angle of the sheet is chosen to vary with frequency so that it is relatively small at both high and low frequencies, but approximately 80 deg at intermediate frequencies. The resulting emission pattern as seen by a distant observer is shown to resemble the observed arc pattern. The model is compared and contrasted with examples of Voyager radio data.

Goldstein, M. L.↗