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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The Atacama Cosmology Telescope: SZ-based masses and dust emission from IR-selected cluster candidates in the SHELA survey

Here we examine the stacked thermal Sunyaev–Zel’dovich (SZ) signals for a sample of galaxy group and cluster candidates from the 24 deg 2 infrared Spitzer-HETDEX Exploratory Large Area (SHELA) survey. We identify the objects in combination with optical data using the redMaPPer algorithm, and divide them into three richness bins (λ in 10–20, 20–30, and 30–76 with average photometric redshifts of 0.80, 0.73, and 0.70, respectively). All richness bins show evidence for dust emission, which we fit using stacked profiles from Herschel Stripe 82 data. We fit for synchrotron emission using stacked profiles created by binning source fluxes from NRAO VLA Sky Survey data. We can confidently detect the SZ decrement only in the highest richness bin, finding M SZ,500 = $8.7^{+1.7}_{-1.3} \times 10^{13}\, \mathrm{ M}_\odot$. Neglecting the correction for dust and synchrotron depresses the inferred mass by 26 percent, indicating a partial fill-in of the SZ decrement from dust and synchrotron emission. We compare our corrected SZ masses to two redMaPPer mass–richness scaling relations and find that the SZ mass is lower than predicted by the richness. For the lower richness bins, mass bias factors as low as 1 – b = 0.6 are not enough to bring the mass limits into agreement. We discuss possible explanations for this discrepancy. The SHELA richnesses may differ from previous richness measurements due to the inclusion of infrared data in redMaPPer. To connect the SZ signal to the mass, we use a universal gas pressure profile that is calibrated to massive clusters at low redshift. It may not be applicable to our lower mass, higher redshift sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Optical variability of quasars with 20-yr photometric light curves

ABSTRACT We study the optical gri photometric variability of a sample of 190 quasars within the SDSS Stripe 82 region that have long-term photometric coverage during ∼1998−2020 with SDSS, PanSTARRS-1, the Dark Energy Survey, and dedicated follow-up monitoring with Blanco 4m/DECam. With on average ∼200 nightly epochs per quasar per filter band, we improve the parameter constraints from a Damped Random Walk (DRW) model fit to the light curves over previous studies with 10–15 yr baselines and ≲ 100 epochs. We find that the average damping time-scale τDRW continues to rise with increased baseline, reaching a median value of ∼750 d (g band) in the rest frame of these quasars using the 20-yr light curves. Some quasars may have gradual, long-term trends in their light curves, suggesting that either the DRW fit requires very long baselines to converge, or that the underlying variability is more complex than a single DRW process for these quasars. Using a subset of quasars with better-constrained τDRW (less than 20 per cent of the baseline), we confirm a weak wavelength dependence of τDRW∝λ0.51 ± 0.20. We further quantify optical variability of these quasars over days to decades time-scales using structure function (SF) and power spectrum density (PSD) analyses. The SF and PSD measurements qualitatively confirm the measured (hundreds of days) damping time-scales from the DRW fits. However, the ensemble PSD is steeper than that of a DRW on time-scales less than ∼ a month for these luminous quasars, and this second break point correlates with the longer DRW damping time-scale.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

S-PLUS DR1 galaxy clusters and groups catalogue using PzWav

ABSTRACT We present a catalogue of 4499 groups and clusters of galaxies from the first data release of the multi-filter (5 broad, 7 narrow) Southern Photometric Local Universe Survey (S-PLUS). These groups and clusters are distributed over 273 deg2 in the Stripe 82 region. They are found using the PzWav algorithm, which identifies peaks in galaxy density maps that have been smoothed by a cluster scale difference-of-Gaussians kernel to isolate clusters and groups. Using a simulation-based mock catalogue, we estimate the purity and completeness of cluster detections: at S/N > 3.3, we define a catalogue that is 80 per cent pure and complete in the redshift range 0.1 < z < 0.4, for clusters with M200 > 1014 M⊙. We also assessed the accuracy of the catalogue in terms of central positions and redshifts, finding scatter of σR = 12 kpc and σz = 8.8 × 10−3, respectively. Moreover, less than 1 per cent of the sample suffers from fragmentation or overmerging. The S-PLUS cluster catalogue recovers ∼80 per cent of all known X-ray and Sunyaev-Zel’dovich selected clusters in this field. This fraction is very close to the estimated completeness, thus validating the mock data analysis and paving an efficient way to find new groups and clusters of galaxies using data from the ongoing S-PLUS project. When complete, S-PLUS will have surveyed 9300 deg2 of the sky, representing the widest uninterrupted areas with narrow-through-broad multi-band photometry for cluster follow-up studies.

Astronomy & Astrophysics↗
DOE OSTI2022

AGNet: weighing black holes with deep learning

Supermassive black holes (SMBHs) are commonly found at the centres of most massive galaxies. Measuring SMBH mass is crucial for understanding the origin and evolution of SMBHs. Traditional approaches, on the other hand, necessitate the collection of spectroscopic data, which is costly. We present an algorithm that weighs SMBHs using quasar light time series information, including colours, multiband magnitudes, and the variability of the light curves, circumventing the need for expensive spectra. We train, validate, and test neural networks that directly learn from the Sloan Digital Sky Survey (SDSS) Stripe 82 light curves for a sample of 38 939 spectroscopically confirmed quasars to map out the non-linear encoding between SMBH mass and multiband optical light curves. We find a 1σ scatter of 0.37 dex between the predicted SMBH mass and the fiducial virial mass estimate based on SDSS single-epoch spectra, which is comparable to the systematic uncertainty in the virial mass estimate. Our results have direct implications for more efficient applications with future observations from the Vera C. Rubin Observatory. Our code, AGNet, is publicly available at https://github.com/snehjp2/AGNet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The intrinsic X-ray luminosity distribution of an optically selected SDSS quasar population

ABSTRACT In active galactic nuclei, the relationship between UV and X-ray luminosity is well studied (often characterised by αox) but often with heterogeneous samples. We have parametrized the intrinsic distribution of X-ray luminosity, LX, for the optically selected sample of SDSS quasars in the Stripe 82 and XXL fields across redshifts 0.5–3.5. We make use of the available XMM observations and a custom pipeline to produce Bayesian sensitivity curves that are used to derive the intrinsic X-ray distribution in a hierarchical Bayesian framework. We find that the X-ray luminosity distribution is well described by a Gaussian function in log10 LX space with a mean that is dependent on the monochromatic 2500 Å UV luminosity, L2500. We also observe some redshift dependence of the distribution. The mean of the LX distribution increases with redshift while the width decreases. This weak but significant redshift dependence leads to L2500–LX and L2500–αox relations that evolve with redshift, and we produce a redshift- and L2500-dependent αox equation. Neither black hole mass nor Eddington ratio appear to be potential drivers of the redshift evolution.

Rankine, Amy L. (ORCID:0000000220911966)↗
DOE OSTI2020

Transporters and ascorbate–glutathione metabolism for differential cadmium accumulation and tolerance in two contrasting willow genotypes

Salix matsudana Koidz is a low cadmium (Cd)-accumulating willow, whereas its cultivated variety, Salix matsudana var. matsudana f. umbraculifera Rehd., is a high Cd-accumulating and tolerant willow (HCW). The physiological and molecular mechanisms underlying differential Cd accumulation and tolerance in the two Salix species are poorly understood. In this study, we confirmed that the differential Cd translocation capacity from roots to the shoots leads to the differential Cd accumulation in their aboveground parts between these two willow genotypes. Cadmium accumulation happens preferentially in the transport pathway, and Cd is mainly located in the vacuolar, cell wall and intercellular space in HCW bark by cadmium location analysis at tissue and subcellular levels. Comparative transcriptome analysis revealed that higher expressions of several metal transporter genes (ATP-binding cassette transporters, K + transporters/channels, yellow stripe-like proteins, zinc-regulated transporter/iron-regulated transporter-like proteins, etc.) are involved in root uptake and translocation capacity in HCW; meanwhile, ascorbate–glutathione metabolic pathways play essential roles in Cd detoxification and higher tolerance of the Cd-accumulator HCW. These results lay the foundation for further understanding the molecular mechanisms of Cd accumulation in woody plants and provide new insights into molecular-assisted-screening woody plant varieties for phytoremediation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Electronic Origin of Delicate Antiferromagnetism in Fe 𝑥 ⁢NbS 2

Among the family of intercalated transition-metal dichalcogenides (TMDs), Fe 𝑥 ⁢NbS 2 is found to possess unique current-induced resistive switching behaviors, tunable antiferromagnetic states, and a commensurate charge order, all of which are tied to a critical Fe doping of 𝑥 𝑐 = 1/3. However, the electronic origin of such extreme stoichiometry sensitivities remains unclear. Combining angle-resolved photoemission spectroscopy (ARPES) with density functional theory (DFT) calculations, we identify and characterize a dramatic eV-scale electronic restructuring that occurs across the 𝑥𝑐. Moment-carrying Fe 3⁢𝑑 𝑧 2 electrons manifest as narrow bands within 200 meV of the Fermi level, distinct from other transition metal intercalated TMD magnets. These states strongly hybridize with itinerant electrons in the TMD layer and rapidly lose coherence above 𝑥 𝑐 due to correlation-driven effects. This sudden quasiparticle decoherence collapses the Fe-Nb hybridization, which explicitly suppresses the out-of-plane effective Fe-Fe exchange interaction, driving the transformation of the magnetic ground state from an antiferromagnetic stripe phase to a zigzag phase. Furthermore, these observations resemble the exceptional electronic and magnetic sensitivity of strongly correlated systems, and demonstrate that quantifying orbital-specific hybridization via ARPES offers an alternative pathway to evaluate effective magnetic exchange in metallic magnets, complementing inelastic neutron and resonant x-ray scattering probes.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2024

Thermodynamic stability of a spin microemulsion in Rashba spin-orbit-coupled bosons

Recent finite-temperature numerical simulations have unveiled a quantum “spin” microemulsion analog, found by raising the temperature of a stripe supersolid phase in a Rashba spin-orbit coupled Bose gas. This microemulsion state is a highly correlated, isotropic normal fluid where atoms self-arrange based on their internal pseudospin into patterns that resemble bicontinuous microemulsions. This finding leaves several open questions regarding the broader accessibility of this phase in experiments. Here, we use equilibrium finite-temperature numerical simulations based on a coherent-state path integral representation to perform a computational investigation into the thermodynamic stability of the spin microemulsion state. Numerical simulations emphasize the requirement of a nearly, but not perfectly, isotropic spin-orbit coupling in order to achieve the microemulsion phase in cold-atom experiments. Moreover, the microemulsion state exists independent of miscibility of the pseudospin components and for a wide range of pseudospin population imbalance, suggesting a high degree of flexibility in choosing the atom and hyperfine states in an experimental realization. Lastly, we demonstrate this feasibility by mimicking a Rashba spin-orbit-coupled 87 Rb experiment in an isotropic harmonic trap, where we confirm the microemulsion's existence via its density profile and equilibrium quasimomentum distribution.

Complex Langevin dynamics↗
DOE OSTI2020

Spin dynamics in antiferromagnetic oxypnictides and fluoropnictides: LaMnAsO, LaMnSbO, and BaMnAsF

In this study, inelastic neutron scattering (INS) from polycrystalline antiferromagnetic LaMnAsO, LaMnSbO, and BaMnAsF are analyzed using a J 1 - J 2 - J c Heisenberg model in the framework of the linear spin-wave theory. All three systems show clear evidence that the nearest- and next-nearest-neighbor interactions within the Mn square lattice layer ( J 1 and J 2 ) are both antiferromagnetic (AFM). However, for all compounds studied the competing interactions have a ratio of 2 J 2 / J 1 < 1 , which favors the square lattice checkerboard AFM structure over the stripe AFM structure. The interplane coupling J c in all three systems is on the order of ~ 3 × 10 - 4 J 1 , rendering the magnetic properties of these systems with quasi-two-dimensional character. The substitution of Sb for As significantly lowers the in-plane exchange coupling, which is also reflected in the decrease of the Néel temperature, T N . Although BaMnAsF shares the same MnAs sheets as LaMnAsO, their J 1 and J 2 values are substantially different. Lastly, using density functional theory, we calculate exchange parameters J i j to rationalize the differences among these systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Impact of nematicity on the relationship between antiferromagnetic fluctuations and superconductivity in FeSe 0.91 S 0.09 under pressure

The sulfur-substituted FeSe system, FeSe 1 - x S x , provides a versatile platform for studying the relationship among nematicity, antiferromagnetism, and superconductivity. Herein, by nuclear magnetic resonance (NMR) and resistivity measurements up to 4.73 GPa on FeSe 0.91 S 0.09 , we established the pressure- ( p -) temperature ( T ) phase diagram in which the nematic state is suppressed with pressure showing a nematic quantum phase transition (QPT) around p = 0.5 GPa , two superconductivity (SC) regions separated by the QPT appear, and antiferromagnetic (AFM) phase emerges above ~ 3.3 GPa . From the NMR results up to 2.1 GPa, AFM fluctuations are revealed to be characterized by the stripe-type wave vector which remains the same for the two SC regions. Furthermore, the electronic state is discovered to change in character from non-Fermi liquid to Fermi liquid around the nematic QPT and persists up to ~ 2.1 GPa . In addition, although the AFM fluctuations correlate with T c in both SC states, demonstrating the importance of the AFM fluctuations for the appearance of SC in the system, we found that, when nematic order is absent, T c is strongly correlated with the AFM fluctuations whereas T c weakly depends on the AFM fluctuations when nematic order is present. Our findings on FeSe 0.91 S 0.09 were shown to be applied to the whole FeSe 1 - x S x system and offer an insight into the relationship between AFM fluctuations and SC in Fe-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nonsuperconducting electronic ground state in pressurized BaFe 2 S 3 and BaFe 2 S 2.5 Se 0.5

In this work, we report a comprehensive study of the spin ladder compound BaFe 2 S 2.5 Se 0.5 using neutron diffraction, inelastic neutron scattering, high pressure synchrotron diffraction, and high pressure transport techniques. We find that BaFe 2 S 2.5 Se 0.5 possesses the same C m c m structure and stripe antiferromagnetic order as does BaFe 2 S 3 , but with a reduced Néel temperature of T N = 98 K compared to 120 K for the undoped system, and a slightly increased ordered moment of 1.40 μ B per iron. Additionally, the low-energy spin excitations in BaFe 2 S 2.5 Se 0.5 are likewise similar to those observed in BaFe 2 S 3 . However, unlike the reports of superconductivity in BaFe 2 S 3 below T c ~ 14 K under pressures of 10 GPa or more, we observe no superconductivity in BaFe 2 S 2.5 Se 0.5 at any pressure up to 19.7 GPa. In contrast, the resistivity exhibits an upturn at low temperature under pressure. Furthermore, we show that additional high-quality samples of BaFe 2 S 3 synthesized for this study likewise fail to become superconducting under pressure, instead displaying a similar upturn in resistivity at low temperature. These results demonstrate that microscopic, sample-specific details play an important role in determining the ultimate electronic ground state in this spin ladder system. We suggest that the upturn in resistivity at low temperature in both BaFe 2 S 3 and BaFe 2 S 2.5 Se 0.5 may result from Anderson localization induced by S vacancies and random Se substitutions, enhanced by the quasi-one-dimensional ladder structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Competing magnetic orders in quantum critical Sr 3 Ru 2 O 7

We investigated Sr 3 RuO 7 , a quantum critical metal that shows a metamagnetic quantum phase transition and electronic nematicity, through density functional calculations. These predict a ferromagnetic ground state in contrast to the experimentally observed paramagnetism, raising the question of competing magnetic states and associated fluctuations that may suppress magnetic order. We did a search to identify such low-energy antiferromagnetically ordered metastable states. We find that the lowest-energy antiferromagnetic state has a striped order. This corresponds to the E-type order that has been shown to be induced by Mn alloying. We also note significant transport anisotropy in this E-type ordered state. Furthermore, these results are discussed in relation to experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Itinerant ferromagnetism in van der Waals Fe 5 – x Ge Te 2 crystals above room temperature

Two-dimensional (2D) van der Waals (vdW) magnets have recently attracted increasing attention, as they provide a novel system for exploring 2D magnetism. However, intrinsic ferromagnetism in 2D systems has almost exclusively been observed at low temperatures, limiting their technological relevance. Fe N Ge Te 2 ( N = 3 , 4, and 5) systems are currently becoming the most attractive 2D vdW materials due to their relatively high Curie temperatures and large saturation magnetization. However, the nature of their complex yet intriguing magnetic behaviors is still unclear, in part due to the multiple inequivalent iron sites and iron vacancies. In this study, we show evolution of magnetic ordering transitions in Fe 5 – x Ge Te 2 with high Curie temperature and a strong saturation magnetization using photoemission electron microscopy and transport measurements. At 275 K, the ferromagnet transitions to a ferrimagnet, and below 110 K transitions to a state with glassy clusters. These are evidenced from temperature-dependent magnetic stripe domain evolution and anisotropic magnetoresistance measurements. Our findings show a clear magnetic ground state of Fe 5 – x Ge Te 2 at room temperature which signals that Fe 5 – x Ge Te 2 system is a very promising candidate for spintronic devices and provides a material design pathway to further increase the Curie temperature and saturation moments in vdW ferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Correlating structural, electronic, and magnetic properties of epitaxial VSe 2 thin films

The electronic and magnetic properties of transition metal dichalcogenides are known to be extremely sensitive to their structure. In this paper we study the effect of structure on the electronic and magnetic properties of mono- and bilayer VSe 2 films grown using molecular beam epitaxy. VSe 2 has recently attracted much attention due to reports of emergent ferromagnetism in the two-dimensional (2D) limit. To understand this compound, high-quality 1$\textit{T}$ and distorted 1$\textit{T}$ films were grown at temperatures of 200 °C and 450 °C, respectively, and studied using 4 K scanning tunneling microscopy and spectroscopy. The measured density of states and the charge density wave (CDW) patterns were compared to band structure and phonon dispersion calculations. Films in the 1$\textit{T}$ phase reveal different CDW patterns in the first layer compared to the second. Interestingly, we find the second layer of the 1$\textit{T}$ film shows a CDW pattern with 4$\textit{a}$ × 4$\textit{a}$ periodicity which is the 2D version of the bulk CDW observed in this compound. We report our phonon dispersion calculations confirm the presence of a soft phonon at the correct wave vector that leads to this CDW. In contrast, the first layer of distorted 1$\textit{T}$ phase films shows a strong stripe feature with varying periodicities, while the second layer displays no observable CDW pattern. Finally, we find that the monolayer 1$\textit{T}$ VSe 2 film is weakly ferromagnetic, with ~3.5 $μ_B$ per unit similar to previous reports.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nematic superconductivity in LiFeAs

The role of nematic order for the mechanism of high-temperature superconductivity is highly debated. In most iron-based superconductors (IBSs) the tetragonal symmetry is broken already in the normal state, resulting in orthorhombic lattice distortions, static stripe magnetic order, or both. Superconductivity then emerges, at least at weak doping, already from the state with broken C 4 rotational symmetry. One of the few stoichiometric IBSs, lithium iron arsenide superconducts below 18 K and does not display either structural or magnetic transition in the normal state. Here we demonstrate, using angle-resolved photoemission spectroscopy, that even the superconducting state in LiFeAs is also a nematic one. We observe spontaneous breaking of the rotational symmetry in the gap amplitude on all Fermi surfaces, as well as unidirectional distortion of the Fermi pockets. Remarkably, these deformations are hardly visible above superconducting T c . Our results demonstrate the realization of the phenomenon of superconductivity-induced nematicity in IBSs, emphasizing the intimate relation between them. Furthermore, we suggest a theoretical explanation based on the emergence of a secondary instability inside the superconducting state, which leads to the nematic order and s–d mixing in the gap function.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Origin of the magnetic and orbital ordering in α-Sr 2 CrO 4

Motivated by recent experimental progress in transition metal oxides with the K 2 NiF 4 structure, in this study we investigate the magnetic and orbital ordering in α-Sr 2 CrO 4 . Using first principles calculations, first we derive a three-orbital Hubbard model, which reproduces the ab initio band structure near the Fermi level. The unique reverse splitting of t 2g orbitals in α-Sr 2 CrO 4 , with the 3d 2 electronic configuration for the Cr 4+ oxidation state, opens up the possibility of orbital ordering in this material. Using real-space Hartree-Fock for multi-orbital systems, we constructed the ground state phase diagram for the two dimensional compound α-Sr 2 CrO 4 . We found stable ferromagnetic, antiferromagnetic, antiferro-orbital, and staggered orbital stripe ordering in robust regions of the phase diagram. Furthermore, using the density matrix renormalization group method for two-leg ladders with the realistic hopping parameters of α-Sr 2 CrO 4 , we explore magnetic and orbital ordering for experimentally relevant interaction parameters. Again, we find a clear signature of antiferromagnetic spin ordering along with antiferro-orbital ordering at moderate to large Hubbard interaction strength. We also explore the orbital-resolved density of states with Lanczos, predicting insulating behavior for the compound α-Sr 2 CrO 4 , in agreement with experiments. Finally, an intuitive understanding of the results is provided based on a hierarchy between orbitals, with d xy driving the spin order, while electronic repulsion and the effective one dimensionality of the movement within the d xz and d yz orbitals driving the orbital order.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic field induced phase transitions of the triangular spin model

In this work, motivated by a recent inelastic neutron scattering experiment on YbMgGaO 4 , I study the homogeneous spin model on the triangular lattice using the cluster mean-field theory and exact diagonalization. Phase diagrams with and without magnetic field are computed. The results show that the magnetic field can induce the phase transition from the spin liquid state (or the stripe state) to the 120 ° antiferromagnetic state. These phase transitions are suppressed by the next-nearest-neighbor exchange interaction J 2 / J 1 and vanish as J 2 / J 1 > 0.11 . I analyze a parameter space at J 2 / J 1 = 0.1 , where a field induced phase transition can occur, and find that the deviation of the theoretical spin excitation energy from the experimental data is only about 0.054. These results imply that an effective homogeneous spin model still applies to YbMgGaO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗