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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bending effects and optical properties of WSe 2 nanoribbons of topological phase

A WSe 2 monolayer of 1T' phase is a large band gap quantum spin Hall insulator, supporting dissipationless charge and spin transports through the topologically protected edge states. Here, in this work, we explore the nanoribbon forms of 1T' phase WSe 2 by first-principles density functional calculations and the many-body perturbation GW and Bethe-Salpeter equation method. We found that the 1T' WSe 2 nanoribbon can show topological edge states with a ribbon width of ~4-6 nm. Those edge bands show crossing through the Fermi level an odd number of times, with one kind of spin-polarization connecting the valence band continuum and conduction band continuum. The topological features of the edge bands hold even under small and medium bending in the nanoribbon, while large bending induces large band splitting, resulting in a topological switch-off in the edge bands. The semiconducting 1T' WSe2 nanoribbon shows a large tunability with bending in optical absorption spectra and exciton states. The lowest-energy exciton is changed from optically dark in the flat nanoribbon to bright in the bent nanoribbons. These properties in the 1T' WSe 2 nanoribbons suggest potential applications in controllable quantum electronics and exciton-based quantum information processes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Possible topological superconductivity in the topological crystalline insulator $\mathrm{(Pb_{1-x} Sn_x)_{1-y}In_yTe}$

Superconductivity in topological insulators is expected to show very unconventional features such as a $p+ip$ order parameter, Majorana fermions, etc. However, intrinsic superconductivity has been observed in a very limited number of materials in which the pairing symmetry is still a matter of debate. Here, we study the topological crystalline insulator (TCI) $\mathrm{(Pb_{1-x} Sn_x)_{1-y}In_yTe}$, for which a peculiar insulator to superconductor transition was previously reported near the gap inversion transition, where the system is nearly a three-dimensional Dirac semimetal. Both the existence of superconductivity near the three-dimensional Dirac semimetal and the occurrence of an insulator to superconductor transition in an isotropic material are highly unusual. We suggest that the observed phenomena are related to the intrinsic instability of a three-dimensional Dirac semimetal state in $\mathrm{(Pb_{1-x} Sn_x)_{1-y}In_yTe}$ and “flattening” of the bulk valence and conduction bands as they acquire a Mexican-hat-like dispersion on the inverted side of the phase diagram. Importantly, this favors the pairing instability if the chemical potential is pinned to these flat regions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Constraints on Cosmological Parameters from the 500 deg$^2$ SPTpol Lensing Power Spectrum

We present cosmological constraints based on the cosmic microwave background (CMB) lensing potential power spectrum measurement from the recent 500 deg$^2$ SPTpol survey, the most precise CMB lensing measurement from the ground to date. We fit a flat $\Lambda$CDM model to the reconstructed lensing power spectrum alone and in addition with other data sets: baryon acoustic oscillations (BAO) as well as primary CMB spectra from Planck and SPTpol. The cosmological constraints based on SPTpol and Planck lensing band powers are in good agreement when analysed alone and in combination with Planck full-sky primary CMB data. Within the $\Lambda$CDM model, CMB lensing data are primarily sensitive to the amount of large-scale structure as parametrized by $\sigma_8\Omega_m^{0.25}$. With weak priors on the baryon density and other parameters, the SPTpol CMB lensing data alone provide a 4% constraint on $\sigma_8\Omega_m^{0.25} = 0.0593 \pm 0.025$. Jointly fitting with BAO data, we find $\sigma_8=0.779 \pm 0.023$, $\Omega_m = 0.368^{+0.032}_{-0.037}$, and $H_0 = 72.0^{+2.1}_{-2.5}\,\text{km}\,\text{s}^{-1}\,\text{Mpc}^{-1} $, up to $2\,\sigma$ away from the central values preferred by Planck lensing + BAO. However, we recover good agreement between SPTpol and Planck when restricting the analysis to similar scales. We also consider single-parameter extensions to the flat $\Lambda$CDM model. In combination with Planck primary CMB measurements and BAO, the SPTpol lensing spectrum constrains the spatial curvature to be $\Omega_K = -0.0007 \pm 0.0025$ and the sum of the neutrino masses to be $\sum m_{\nu} < 0.23$ eV at 95% C.L., both in good agreement with the full-sky Planck lensing results. With the differences in the $S/N$ of the lensing modes (abridged)

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Experimental determination of electron attenuation lengths in complex materials by means of epitaxial film growth: advantages and challenges

Accurate electron attenuation lengths are of critical importance in using electron spectroscopic methods to quantitatively characterize complex materials. Here we show that analysis of core-level and valence-band x-ray photoelectron spectra excited with monochromatic AlK? x-rays from the substrate and measured as a function of film thickness can be used to determine electron attenuation lengths in epitaxial SrTiO3 films on Ge(001). Closely lattice-matched epitaxial heterojunctions are ideal systems for determining attenuation lengths provided the films grow in a layer-by-layer fashion, leading to atomically flat surfaces, and the buried interfaces are atomically abrupt. In principle, either the rate of attenuation of substrate peak intensities or the rate of increase of film peak intensities can be used for this purpose. However, we find that structural nonuniformities in the films reduce the accuracy of electron attenuation lengths determined from photoelectrons that originate within the films. A more reliable source of information is found in photoelectrons from the substrate which traverse the film. By using the energy dependence of calculated electron attenuation lengths from the NIST database in combination with Ge 3d core and Ge-derived valence band intensities, we determine electron attenuation length as a function of kinetic energy for SrTiO3.

Chambers, Scott A.↗
DOE OSTI2020

The Fourth Catalog of Active Galactic Nuclei Detected by the Fermi Large Area Telescope

We report the fourth catalog of active galactic nuclei (AGNs) detected by the Fermi Gamma-ray Space Telescope Large Area Telescope (4LAC) between 2008 August 4 and 2016 August 2 contains objects located at high Galactic latitudes ( ). It includes 85% more sources than the previous 3LAC catalog based on 4 yr of data. AGNs represent at least 79% of the high-latitude sources in the fourth Fermi -Large Area Telescope Source Catalog (4FGL), which covers the energy range from 50 MeV to 1 TeV. In addition, gamma-ray AGNs are found at low Galactic latitudes. Most of the 4LAC AGNs are blazars (98%), while the remainder are other types of AGNs. The blazar population consists of 24% Flat Spectrum Radio Quasars (FSRQs), 38% BL Lac-type objects, and 38% blazar candidates of unknown types (BCUs). On average, FSRQs display softer spectra and stronger variability in the gamma-ray band than BL Lacs do, confirming previous findings. All AGNs detected by ground-based atmospheric Cerenkov telescopes are also found in the 4LAC.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Multiple Phase Screen Scintillation Code Execution and Examples

The phenomenon of random fluctuations in the amplitude and phase of received transionospheric radio frequency (RF) signals is well known and documented. For wide band signals, sometimes a set of frequencies in the the band or even the whole band can suffer degradation or complete drop out at the receiver. The former is known as frequency selective scintillation where only a fraction of the signal bandwidth is affected, whereas the latter is known as flat fading.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Flat epitaxial quasi-1D phosphorene chains

The emergence of peculiar phenomena in 1D phosphorene chains (P chains) has been proposed in theoretical studies, notably the Stark and Seebeck effects, room temperature magnetism, and topological phase transitions. Attempts so far to fabricate P chains, using the top-down approach starting from a few layers of bulk black phosphorus, have failed to produce reliably precise control of P chains. We show that molecular beam epitaxy gives a controllable bottom-up approach to grow atomically thin, crystalline 1D flat P chains on a Ag(111) substrate. Scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and density functional theory calculations reveal that the armchair-shaped chains are semiconducting with an intrinsic 1.80 ± 0.20 eV band gap. This could make these P chains an ideal material for opto-electronic devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Optimizing dicyandiamide pretreatment conditions for enhanced structure and electronic properties of polymeric graphitic carbon nitride

Graphitic carbon nitride, a polymeric semiconductor, possesses a distinctive electronic band structure and exceptional chemical stability, making it a highly promising material for various catalytic applications such as electrocatalysis, photocatalysis, and photo-electrocatalysis. However, its practical applications remain limited due to its low active site density and poor electrical conductivity. In this study, to overcome such limitations, we have conducted a thorough investigation to explore the impact of dicyandiamide (DCDA) precursor pretreatment prior to thermal polymerization to graphitic carbon nitride. The DCDA precursor was subjected to various pretreatment methods including grinding using mortar and pestle, recrystallization through stirring or probe sonication after dissolving in deionized water, and freeze drying, prior to thermal polymerization at 550 °C for 2 hours. The structural and morphological properties of the catalysts prepared were compared and characterized by X-ray diffraction (XRD), attenuated total reflectance–Fourier transform infrared (ATR-IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) analysis while the electronic band gap properties were determined based on density functional theory (DFT) calculations for a set of crystalline systems having C/N ratios similar to those identified experimentally. In comparison to direct thermal polymerization, pretreated samples rendered the same product yield, diverse morphologies with flat or wrinkle structures, and reduced electrochemical resistance, making them suitable for use in various catalytic processes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Formation of a Ti–Cu(111) single atom alloy: Structure and CO binding

A single atom Ti–Cu(111) surface alloy can be generated by depositing small amounts of Ti onto Cu(111) at slightly elevated surface temperatures (~500 to 600 K). Here, scanning tunneling microscopy shows that small Ti-rich islands covered by a Cu single layer form preferentially on ascending step edges of Cu(111) during Ti deposition below about 400 K but that a Ti–Cu(111) alloy replaces these small islands during deposition between 500 and 600 K, producing an alloy in the brims of the steps. Larger partially Cu-covered Ti-containing islands also form on the Cu(111) terraces at temperatures between 300 and 700 K. After surface exposure to CO at low temperatures, reflection absorption infrared spectroscopy (RAIRS) reveals distinct C–O stretch bands at 2102 and 2050 cm –1 attributed to CO adsorbed on Cu-covered Ti-containing domains vs sites in the Ti–Cu(111) surface alloy. Calculations using density functional theory (DFT) suggest that the lower frequency C–O stretch band originates specifically from CO adsorbed on isolated Ti atoms in the Ti–Cu(111) surface alloy and predicts a higher C–O stretch frequency for CO adsorbed on Cu above subsurface Ti ensembles. DFT further predicts that CO preferentially adsorbs in flat-lying configurations on contiguous Ti surface structures with more than one Ti atom and thus that CO adsorbed on such structures should not be observed with RAIRS. The ability to generate a single atom Ti–Cu(111) alloy will provide future opportunities to investigate the surface chemistry promoted by a representative early transition metal dopant on a Cu(111) host surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Legacy Survey of Space and Time Data Preview 1: calibrations dataset type

The Legacy Survey of Space and Time Data Preview 1 (DP1) is the first release of data from the NSF-DOE Vera C. Rubin Observatory. It consists of raw and calibrated single-epoch images, co-adds, difference images, detection catalogs, and other derived data products. DP1 is based on 1792 science-grade optical/near-infrared exposures acquired over 48 distinct nights by the Rubin Commissioning Camera, LSSTComCam, on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile during the first on-sky commissioning campaign in late 2024. DP1 covers a total of approximately 15 sq. deg. over seven roughly equally-sized non-contiguous fields, each independently observed in six broad photometric bands, ugrizy, spanning a range of stellar densities and latitudes and overlapping with external reference datasets. This dataset is a subset of the full data release consisting of the calibrations dataset type. These are a collection of calibration datasets such as biases, darks, and flats used to construct the data release. This release contains 496 datasets of this type.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The spectra of IceCube neutrino (SIN) candidate sources – II. Source characterization

ABSTRACT Eight years after the first detection of high-energy astrophysical neutrinos by IceCube, we are still almost clueless as regards to their origin, although the case for blazars being neutrino sources is getting stronger. After the first significant association at the $3\!-\!3.5\, \sigma$ level in time and space with IceCube neutrinos, i.e. the blazar TXS 0506+056 at z = 0.3365, some of us have in fact selected a unique sample of 47 blazars, out of which ∼16 could be associated with individual neutrino track events detected by IceCube. Building upon our recent spectroscopy work on these objects, here we characterize them to determine their real nature and check if they are different from the rest of the blazar population. For the first time we also present a systematic study of the frequency of masquerading BL Lacs, i.e. flat-spectrum radio quasars with their broad lines swamped by non-thermal jet emission, in a γ-ray- and IceCube-selected sample, finding a fraction >24 per cent and possibly as high as 80 per cent. In terms of their broad-band properties, our sources appear to be indistinguishable from the rest of the blazar population. We also discuss two theoretical scenarios for neutrino emission, one in which neutrinos are produced in interactions of protons with jet photons and one in which the target photons are from the broad-line region. Both scenarios can equally account for the neutrino–blazar correlation observed by some of us. Future observations with neutrino telescopes and X-ray satellites will test them out.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Detailed space–time variations of the seismic response of the shallow crust to small earthquakes from analysis of dense array data

SUMMARY We compute high-resolution space–time variations of subsurface seismic properties from autocorrelation functions (ACF’s) of noise and local earthquakes, recorded by the Sage Brush Flat dense array deployed around the Clark branch of the San Jacinto fault. The resolved temporal changes are referred to as apparent velocity changes because they reflect both nonlinear response and variations of material properties such as cracking and damage. Apparent velocity changes are estimated at four frequency bands (10–15, 10–20, 15–30 and 20–40 Hz) for two local earthquake data sets. In one analysis, ACF’s from P- and S-wave windows of 31 small events with magnitudes below 3.1 are used to compute the apparent velocity variations with respect to the mean ACF of each phase, and we also use the mean ACF of noise data as reference to estimate the changes. In a further analysis, the temporal evolution of properties is computed using moving time windows in continuous waveform over one-hour long data with noise and earthquake signals. The apparent velocity changes and recovery times are frequency dependent and present a strong spatial variability across the array. The resolved changes are larger and recovery time shorter with data associated with higher frequencies. At frequencies larger than 15 Hz, and using the mean ACF of noise data as a reference, the apparent average velocity changes across the array during the passage of the P and S waves from the small local events are 2.5 per cent and 6 per cent, respectively. The apparent velocity changes decrease by one order of magnitude when the earthquake data are used as a reference. The relatively large changes in response to very low ground motion have important implications on nonlinear processes involving degradation and healing of the subsurface material during common earthquake shaking.

Geochemistry & Geophysics↗
DOE OSTI2022

A multiwavelength study of the flat-spectrum radio quasar NVSS J141922−083830 covering four flaring episodes

We present multiwavelength observations and a model for flat-spectrum radio quasar (FSRQ) NVSS J141922−083830, originally classified as a blazar candidate of unknown type (BCU II object) in the Third Fermi-LAT AGN Catalog. Relatively bright flares (>3 magnitudes) were observed on 2015 February 21 (MJD 57074) and 2018 September 8 (MJD 58369) in the optical band with the MASTER Global Robotic Net telescopes. Optical spectra obtained with the Southern African Large Telescope on 2015 March 1 (MJD 57082), during outburst, and on 2017 May 30 (MJD 57903), during quiescence, showed emission lines at 5325 Å and at ≈3630 Å that we identified as the Mg II III] 1909 Å lines, respectively, and hence derived a redshift z = 0.903. Analysis of Fermi-Large Area Telescope (LAT) data was performed in the quiescent regime (5 yr of data) and during four prominent flaring states in 2014 February–April, 2014 October–November, 2015 February–March, and 2018 September. We present spectral and timing analysis with Fermi-LAT . We report a hardening of the gamma-ray spectrum during the last three flaring periods, with a power-law spectral index Γ = 2.0–2.1. The maximum gamma-ray flux level was observed on 2014 October 24 (MJD 56954) at (7.57 ± 1.83) × 10 −7 ph cm −2 s −1 . The multiwavelength spectral energy distribution (SED) during the 2015 February–March flare supports the earlier evidence of this blazar to belong to the FSRQ class. The SED can be well represented with a single-zone leptonic model with parameters typical of FSRQs, but also a hadronic origin of the high-energy emission cannot be ruled out.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Quantum-well states in fractured crystals of the heavy-fermion material CeCoIn5

Quantum-well states appear in metallic thin films due to the confinement of the wave function by the film interfaces. Using angle-resolved photoemission spectroscopy, we unexpectedly observe quantum-well states in fractured single crystals of CeCoIn5. We confirm that confinement occurs by showing that these states’ binding energies are photon-energy independent and are well described with a phase accumulation model, commonly applied to quantum-well states in thin films. This indicates that atomically flat thin films can be formed by fracturing hard single crystals. For the two samples studied, our observations are explained by free-standing flakes with thicknesses of 206 and 101 Å. We extend our analysis to extract bulk properties of CeCoIn5. Specifically, we obtain the dispersion of a three-dimensional band near the zone center along in-plane and out-of-plane momenta. We establish part of its Fermi surface, which corresponds to a hole pocket centered at G. We also reveal a change of its dispersion with temperature, a signature that may be caused by the Kondo hybridization.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Temporal changes of seismic velocities in the San Jacinto Fault zone associated with the 2016 M w 5.2 Borrego Springs earthquake

We study temporal changes of seismic velocities associated with the 10 June 2016 Mw 5.2 Borrego Springs earthquake in the San Jacinto fault zone, using nine component Green's function estimates reconstructed from daily cross correlations of ambient noise. The analysed data are recorded by stations in two dense linear arrays, at Dry Wash (DW) and Jackass Flat (JF), crossing the fault surface trace ~3 km northwest and southeast of the event epicentre. The two arrays have 9 and 12 stations each with instrument spacing of 25–100 m. Relative velocity changes (δv/v) are estimated from arrival time changes in the daily correlation coda waveforms compared to a reference stack. The obtained array-average δv/v time-series exhibit changes associated with the Borrego Springs event, superposed with seasonal variations. The earthquake-related changes are characterized by a rapid coseismic velocity drop followed by a gradual recovery. This is consistently observed at both arrays using time- and frequency-domain δv/v analyses with data from different components in various frequency bands. Larger changes at lower frequencies imply that the variations are not limited to the near surface material. A decreasing coseismic velocity reduction with coda wave lapse time indicates larger coseismic structural perturbations in the fault zone and near-fault environment compared to the surrounding rock. Observed larger changes at the DW array compared to the JF array possibly reflect the northwestward rupture directivity of the Borrego Springs earthquake.

Geochemistry & Geophysics↗
DOE OSTI2022

A 2–4 keV multilayer mirrored channel for the NIF Dante system

During inertial confinement fusion experiments at the National Ignition Facility (NIF), a capsule filled with deuterium and tritium (DT) gas, surrounded by a DT ice layer and a high-density carbon ablator, is driven to the temperature and densities required to initiate fusion. In the indirect method, 2 MJ of NIF laser light heats the inside of a gold hohlraum to a radiation temperature of 300 eV; thermal x rays from the hohlraum interior couple to the capsule and create a central hotspot at tens of millions degrees Kelvin and a density of 100–200 g/cm3. During the laser interaction with the gold wall, m-band x rays are produced at ∼2.5 keV; these can penetrate into the capsule and preheat the ablator and DT fuel. Preheat can impact instability growth rates in the ablation front and at the fuel–ablator interface. Monitoring the hohlraum x-ray spectrum throughout the implosion is, therefore, critical; for this purpose, a Multilayer Mirror (MLM) with flat response in the 2–4 keV range has been installed in the NIF 37° Dante calorimeter. Precision engineering and x-ray calibration of components mean the channel will report 2–4 keV spectral power with an uncertainty of ±8.7%.

Rubery, M. S. (ORCID:0000000344152818)↗
DOE OSTI2020

Optical Transmission Spectroscopy of the Terrestrial Exoplanet LHS 3844b from 13 Ground-based Transit Observations

Atmospheric studies of spectroscopically accessible terrestrial exoplanets lay the groundwork for comparative planetology between these worlds and the solar system terrestrial planets. LHS 3844b is a highly irradiated terrestrial exoplanet (R = 1.303 ± 0.022R {sub ⊕}) orbiting a mid-M dwarf 15 parsecs away. Work based on near-infrared Spitzer phase curves ruled out atmospheres with surface pressures ≥10 bars on this planet. We present 13 transit observations of LHS 3844b taken with the Magellan Clay telescope and the LDSS3C multi-object spectrograph covering 620–1020 nm. We analyze each of the 13 data sets individually using a Gaussian process regression, and present both white and spectroscopic light curves. In the combined white light curve we achieve an rms precision of 65 ppm when binning to 10 minutes. The mean white light-curve value of (R {sub p}/R {sub s}){sup 2} is 0.4170 ± 0.0046%. To construct the transmission spectrum, we split the white light curves into 20 spectrophotometric bands, each spanning 20 nm, and compute the mean values of (R {sub p}/R {sub s}){sup 2} in each band. We compare the transmission spectrum to two sets of atmospheric models. We disfavor a clear, solar composition atmosphere (μ = 2.34) with surface pressures ≥0.1 bar to 5.2σ confidence. We disfavor a clear, H{sub 2}O steam atmosphere (μ = 18) with surface pressures ≥0.1 bar to low confidence (2.9σ). Our observed transmission spectrum favors a flat line. For solar composition atmospheres with surface pressures ≥1 bar we rule out clouds with cloud-top pressures of 0.1 bar (5.3σ), but we cannot address high-altitude clouds at lower pressures. Our results add further evidence that LHS 3844b is devoid of an atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Engineering of Exciton Spatial Distribution in CdS Nanoplatelets

Zinc-blende CdS nanoplatelets with atomically flat and very large {100} basal planes terminated solely by one type of element (either Cd or S atoms) are synthesized. Optical spectroscopy, X-ray diffraction, X-ray absorption, and transmission electron microscopy confirm that the surface structures of newly developed S-terminated CdS nanoplatelets are at least as well-defined as the original Cd-terminated nanoplatelets. Band gaps of the nanoplatelets are found to depend on not only the quantum-confined dimension (thickness) but also the nature of the surface termination. The facet structure dictates the packing of the ligands (carboxylate for Cd-terminated nanoplatelets and alkyl for S-terminated nanoplatelets), which causes a difference in the lattice strain and significantly affects the optical spectral width. Experimental and theoretical results reveal that engineering the exciton spatial distribution by the tailored synthesis of semiconductor nanocrystals with a precisely controlled surface structure is fully possible, which should open a new door for delivering the long-promised potential of semiconductor nanocrystals.

Cadmium sulfide↗