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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Tonks-Girardeau and super-Tonks-Girardeau states of a trapped one-dimensional spinor Bose gas

A harmonically trapped, ultracold, one-dimensional (1D) spin-1 Bose gas with strongly repulsive or attractive 1D even-wave interactions induced by a three-dimensional (3D) Feshbach resonance is studied. The exact ground state, a hybrid of Tonks-Girardeau (TG) and ideal Fermi gases, is constructed in the TG limit of infinite even-wave repulsion by a spinor Fermi-Bose mapping to a spinless ideal Fermi gas. It is then shown that in the limit of infinite even-wave attraction this same state remains an exact many-body eigenstate, now highly excited relative to the collapsed generalized McGuire-cluster ground state, showing that the hybrid TG state is completely stable against collapse to this cluster ground state under a sudden switch from infinite repulsion to infinite attraction. It is shown to be the TG limit of a hybrid super-Tonks-Girardeau (STG) state, which is metastable under a sudden switch from finite but very strong repulsion to finite but very strong attraction. It should be possible to create it experimentally by a sudden switch from strongly repulsive to strongly attractive interaction, as in the recent Innsbruck experiment on a spin-polarized bosonic STG gas. In the case of strong attraction, there should also exist another STG state of much lower energy, consisting of strongly bound dimers, a bosonic analog of a recently predicted STG state which is an ultracold gas of strongly bound bosonic dimers of fermionic atoms, but it is shown that this STG state cannot be created by such a switch from strong repulsion to strong attraction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Compositional phase stability of correlated electron materials within DFT+DMFT

Predicting the compositional phase stability of strongly correlated electron materials is an outstanding challenge in condensed matter physics, requiring precise computations of total energies. In this work, we employ the density functional theory plus dynamical mean-field theory (DFT+DMFT) formalism to address local correlations due to transition metal $\textit{d}$ electrons on compositional phase stability in the prototype rechargeable battery cathode material Li x CoO 2 , and detailed comparisons are made with the simpler DFT+$\textit{U}$ approach (i.e., the Hartree-Fock solution of the DMFT impurity problem). Local interactions are found to strongly impact the energetics of the band insulator LiCoO 2 , most significantly via the $E_g$ orbitals, which are partially occupied via hybridization with $\textit{O p}$ states. We find CoO 2 and Li 1/2 CoO 2 to be moderately correlated Fermi liquids with quasiparticle weights of 0.6–0.8 for the $T_{2g}$ states, which are most impacted by the interactions. Further, as compared to DFT+$\textit{U}$, DFT+DMFT considerably dampens the increase in total energy as $\textit{U}$ is increased, which indicates that dynamical correlations are important to describe this class of materials despite the relatively modest quasiparticle weights. Unlike DFT+$\textit{U}$, which can incorrectly drive Li x CoO 2 toward spurious phase separating or charge-ordered states, DFT+DMFT correctly captures the system's phase stability and does not exhibit a strong charge-ordering tendency. Most importantly, the error within DFT+$\textit{U}$ varies strongly as the composition changes, challenging the common practice of artificially tuning $\textit{U}$ within DFT+$\textit{U}$ to compensate the errors of Hartree-Fock. DFT+DMFT predicts the average intercalation voltage decreases relative to DFT, opposite to the result of DFT+$\textit{U}$, which would yield favorable agreement with experiment in conjunction with the overprediction of the voltage by the strongly constrained and appropriately normed DFT functional.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Platinum atomic wire encapsulated in gold nanotubes: A first principle study

The nanotubes of gold incorporated with platinum atomic wire have been investigated by means of firstprinciples density functional theory with plane wave pseudopotential approximation. The structure with zig-zag chain of Pt atoms in side gold is found to be 0.73 eV lower in energy in comparison to straight chain of platinum atoms. The Fermi level of the composite tube was consisting of d-orbitals of Pt atoms. Further interaction of oxygen with these tubes reveals that while tube with zig-zag Pt prefers dissociative adsorption of oxygen molecule, the gold tube with linear Pt wire favors molecular adsorption.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

UOTe: Kondo‐Interacting Topological Antiferromagnet in a Van der Waals Lattice

Since the initial discovery of 2D van der Waals (vdW) materials, significant effort has been made to incorporate the three properties of magnetism, band structure topology, and strong electron correlations—to leverage emergent quantum phenomena and expand their potential applications. However, the discovery of a single vdW material that intrinsically hosts all three ingredients has remained an outstanding challenge. Here, in this work, the discovery of a Kondo-interacting topological antiferromagnet is reported in the vdW 5f electron system UOTe. It has a high antiferromagnetic (AFM) transition temperature of 150 K, with a unique AFM configuration that breaks the combined parity and time reversal (PT) symmetry in an even number of layers while maintaining zero net magnetic moment. This angle-resolved photoemission spectroscopy (ARPES) measurements reveal Dirac bands near the Fermi level, which combined with the theoretical calculations demonstrate UOTe as an AFM Dirac semimetal. Within the AFM order, the presence of the Kondo interaction is observed, as evidenced by the emergence of a 5ƒ flat band near the Fermi level below 100 K and hybridization between the Kondo band and the Dirac band. The density functional theory calculations in its bilayer form predict UOTe as a rare example of a fully-compensated AFM Chern insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Low-Energy Backgrounds in Solid-State Phonon and Charge Detectors

Solid-state phonon and charge detectors probe the scattering of weakly interacting particles, such as dark matter and neutrinos, through their low recoil thresholds. Recent advancements have pushed sensitivity to eV-scale energy depositions, uncovering previously unseen low-energy excess backgrounds. While some arise from known processes such as thermal radiation, luminescence, and stress, others remain unexplained. This review examines these backgrounds, their possible origins, and parallels to low-energy effects in solids, an understanding of which is essential for interpreting particle interactions at and below the eV scale.

coherent neutrino–nucleus scattering↗
DOE OSTI2020

Spontaneous Valley Polarization of Interacting Carriers in a Monolayer Semiconductor

Here, we report magnetoabsorption spectroscopy of gated WSe 2 monolayers in high magnetic fields up to 60 T. When doped with a 2D Fermi sea of mobile holes, well-resolved sequences of optical transitions are observed in both σ ± circular polarizations, which unambiguously and separately indicate the number of filled Landau levels (LLs) in both K and K ' valleys. This reveals the interaction-enhanced valley Zeeman energy, which is found to be highly tunable with hole density p . We exploit this tunability to align the LLs in K and K ' , and find that the 2D hole gas becomes unstable against small changes in LL filling and can spontaneously valley polarize. These results cannot be understood within a single-particle picture, highlighting the importance of exchange interactions in determining the ground state of 2D carriers in monolayer semiconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Bloch ferromagnetism of composite fermions

In 1929, Felix Bloch suggested that the paramagnetic Fermi sea of electrons should make a spontaneous transition to a fully magnetized state at very low densities, because the exchange energy gained by aligning the spins exceeds the enhancement in the kinetic energy. However, experimental realizations of this effect have been hard to implement. In this work, we report the observation of an abrupt, interaction-driven transition to full magnetization, highly reminiscent of Bloch ferromagnetism. Our platform utilizes the two-dimensional Fermi sea of composite fermions near half-filling of the lowest Landau level. We measure the Fermi wavevector—which directly provides the spin polarization—and observe a sudden transition from a partially spin-polarized to a fully spin-polarized ground state as we lower the density of the composite fermions. Our theoretical calculations that take Landau level mixing into account provide a semi-quantitative account of this phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

The unexpected properties of alkali metal iron selenide superconductors

The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi surface nesting of hole and electron pockets when in the presence of weak Hubbard U interactions. This approach seemed appropriate considering the small values of the magnetic moments in the parent compounds and the clear evidence based on photoemission experiments of the required electron and hole pockets. However, recent results in the context of alkali metal iron selenides, with generic chemical composition AxFe2ySe2 (A alkali metal element), have challenged those previous ideas since at particular compositions y the low-temperature ground states are insulating and display antiferromagnetic order with large iron magnetic moments. Moreover, angle-resolved photoemission studies have revealed the absence of hole pockets at the Fermi level in these materials. The present status of this exciting area of research, with the potential to alter conceptually our understanding of the ironbased superconductors, is here reviewed, covering both experimental and theoretical investigations. Other recent related developments are also briefly reviewed, such as the study of selenide two-leg ladders and the discovery of superconductivity in a single layer of FeSe. The conceptual issues considered established for the alkali metal iron selenides, as well as several issues that still require further work, are discussed.

Dagotto, Elbio R↗
DOE OSTI2025

Puzzling Variation of Gamma Rays from the Sun over the Solar Cycle Revealed with Fermi-LAT

The steady-state gamma-ray emission from the Sun is thought to consist of two emission components due to interactions with Galactic cosmic rays: (1) a hadronic disk component, and (2) a leptonic extended component peaking at the solar edge and extending into the heliosphere. The flux of these components is expected to vary with the 11 yr solar cycle, being highest during solar minimum and lowest during solar maximum, as it varies with the cosmic-ray flux. No study has yet analyzed the flux variation of each component over solar cycles. In this work, we measure the temporal variations of the flux of each component over 15 yr of Fermi Large Area Telescope observations and compare them with the sunspot number and Galactic cosmic-ray flux from AMS-02 near Earth. We find that the flux variation of the disk anticorrelates with the sunspot number and correlates with cosmic-ray protons, as expected, confirming its emission mechanism. In contrast, the extended component exhibits a more complex variation: despite an initial anticorrelation with the sunspot number, we find neither anticorrelation with the sunspot number nor correlation with cosmic-ray electrons over the full 15 yr period. This most likely suggests that cosmic-ray transport and modulation in the inner heliosphere are unexpectedly complex and may differ for electrons and protons or, alternatively, that there is an additional, unknown component of gamma rays or cosmic rays. These findings impact space weather research and emphasize the need for close monitoring of Cycle 25 and the ongoing polarity reversal.

Acharyya, A. [Univ. of Southern Denmark, Odense (D↗
NASA NTRS1980

A non-Fermi model of cosmic ray acceleration - The Vector-V x Vector-B

The Fermi model of cosmic ray acceleration is incomplete and frequently internally inconsistent in situations in which particles gradient B or curvature drift in a Vector-V x Vector-B electric field while interacting with moving magnetic field irregularities. In such situations particles can gain orders of magnitude more energy per reflection than predicted by the Fermi model.

Pesses, M. E.↗
DOE OSTI2020

Low-temperature MnBi alloys: Electronic and magnetic properties, constitution, morphology and fabrication (Review article)

The article reviews the rich phenomena of physical properties of MnBi. The diverse phenomena include strong spin-orbit interaction, anomalous temperature dependence of the coercivity and the magneto-crystalline anisotropy field, unique magneto-optical properties. Issues addressed include the nature of the electronic ground states of MnBi, the electronic and magnetic structures, Fermi surface, magneto-crystalline anisotropy, x-ray magnetic dichroism. The discussion includes key experiments, such as optical and magneto-optical spectroscopic measurements, de Haas-van Alphen (dHvA) measurements, x-ray photoemission and x-ray absorption spectroscopy measurements as well as x-ray magnetic circular dichroism. The effect of the spin-orbit (SO) interaction and Coulomb repulsion U were found to be crucial for the Fermi surface, cyclotron masses, magneto-optical properties, and x-ray magnetic circular dichroism. The microscopic origin of unique magneto-crystalline anisotropy and giant Kerr effect in MnBi is analyzed in detail. The huge Kerr effect in MnBi is caused by the combination of a sizable magnetic moment on manganese, the large spin-orbit coupling of bismuth, and a strong hybridization between the manganese 3d and the bismuth 6p states. The magneto-optically active states are mainly the 6p states of Bi. We show that the observed temperature dependence of the magneto-crystalline anisotropy can be explained taking into account the spin-orbit interaction together with strong Coulomb electron-electron interaction. The SO coupling of Bi is equally responsible for the large magneto-crystalline anisotropy energy as is the exchange splitting of Mn. The fabrication, morphology, and constitution of low-temperature MnBi alloys in bulk, thin films, and nanoparticles are discussed. The nanocomposite permanent magnetic materials based on MnBi, (Co, Fe) and Nd 2 Fe 14 B are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transient energy dissipation at the Fermi velocity in a magnetocaloric metal

Realizing fast energy dissipation in crystalline materials over macroscopic length scales is critical for energy-efficient devices and applications toward a carbon-neutral society but is usually dominated by electron-lattice interactions that cap the energy dissipation at the phonon velocity. Going beyond this velocity has been the focus of many studies, and the physical limit is the Fermi velocity where the energy is predominantly carried away by electrons throughout the materials. However, whether and how the Fermi velocity can be reached over macroscopic distances experimentally remain largely elusive. Here we show ultrafast energy dissipation at the Fermi velocity in the magnetocaloric metal LaFe 10.6 Co 1.0 Si 1.4 . Using time-resolved powder x-ray diffraction, we observe negative thermal expansion of the lattice throughout the micron-sized crystals in less than 600 fs with an incident optical fluence higher than 8 J cm -2 . The ultrafast timescale is in sharp contrast to the normal energy dissipation and shows the existence of a macroscopic momentum-relaxing electron mean free path immediately after the optical excitation. In conclusion, our findings open a different regime in energy dissipation and demonstrate the possibility of manipulating macroscopic material properties by strong optical pulses.

Chen, Yanna↗
DOE OSTI2015

First neutrino interactions observed with the MicroBooNE Liquid-Argon TPC detector

The MicroBooNE liquid-argon TPC detector started to take its first neutrino data from the Booster Neutrino Beam at the Fermi National Accelerator Laboratory on October 17, 2015. We have performed fullyautomated 3D reconstruction on these first data events using algorithms we have developed for the LArSoft software package, and we have developed a filter to distinguish neutrino interaction candidate events from the large number of events that contain activity originating mostly from cosmic rays. This is the first-time events from a large liquid argon TPC operating on/near the surface have been automatically reconstructed and selected for analysis. We describe the reconstruction and automated filtering procedure, and show displays of some of the first neutrino interactions observed with the detector using 1.86 × 10 18 protons on target.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Examining a hadronic γ-ray scenario for the radiative shell and molecular clouds of the old GeV supernova remnant G298.6−0.0

Abstract Based on the 13.7 yr Fermi-LAT data, Yeung, Bamba, and Sano (2023, PASJ, 75, 384) claimed detection of two γ-ray sources (namely Src-NE and Src-NW) associated with the supernova remnant (SNR) G298.6−0.0, and interpreted it as an old GeV SNR interacting with molecular clouds (MCs). In this follow-up study, we refine the flux measurements below 2 GeV with Fermi-LAT event types of better angular reconstruction. Then, we report our γ-ray spectral fittings and cosmic-ray phenomenology in a hadronic scenario, considering both the shell and MC regions of SNR G298.6−0.0. We confirm that the γ-ray spectra of both Src-NE and Src-NW exhibit spectral breaks, at $1.50_{-0.50}^{+0.60}$ and $0.68_{-0.11}^{+0.32}\:$GeV, respectively. Src-NW has a harder broad-band photon index than Src-NE, suggesting an appreciable difference between the physical separations of their respective emission sites from SNR G298.6−0.0. The cosmic-ray spectrum responsible for Src-NE starts with a minimum energy $E_\mathrm{CR,min}=1.38_{-0.16}^{+0.47}\:$GeV, and has a proton index $\Gamma _\mathrm{CR}=2.57_{-0.21}^{+0.18}$ below the exponential cutoff energy $E_\mathrm{CR,max}=240_{-150}^{+240}\:$GeV. Accordingly, we argue that Src-NE is dominated by the SNR shell, while only a minor portion of lower-energy emission is contributed by the MCs interacting with the SNR. The cosmic-ray population for Src-NW starts at a higher energy such that the ECR, min ratio of Src-NW to Src-NE is ≳2. The high ECR, min, as well as the high cosmic-ray energy density required (∼26 eV cm−3), supports the interpretation that Src-NW is predominantly the γ-ray emission from the farther MCs being bombarded by protons that had earlier escaped from SNR G298.6−0.0. By comparing the high-energy features of G298.6−0.0 with those of analogical SNRs, especially SNR W 28 and SNR W 44, we further constrain the age of SNR G298.6−0.0 to be 10–30 kyr, under the assumption of a purely hadronic scenario.

Astronomy & Astrophysics↗
DOE OSTI2022

Doped Mott insulators in the triangular-lattice Hubbard model

Here we investigate the evolution of the Mott insulators in the triangular lattice Hubbard Model, as a function of hole doping δ in both the strong and intermediate coupling limits. Using the advanced density matrix renormalization group (DMRG) method, at light hole doping δ ≲ 10%, we find a significant difference between strong and intermediate couplings. Notably, at intermediate coupling an unusual metallic state emerges, with short ranged spin correlations but long ranged spin-chirality order. Moreover, no clear Fermi surface or wave vector is observed, this chiral metal also exhibits staggered loop current, which breaks the translational symmetry. These features disappear on increasing interaction strength or on further doping. At strong coupling, the 120 degree magnetic order of the insulating magnet persists for light doping, and produces hole pockets with a well-defined Fermi surface. On further doping, δ ≈ 10%~20% SDW order and coherent hole Fermi pockets are found at both strong and intermediate couplings. At even higher doping δ ≳ 20%, the SDW order is suppressed and the spin-singlet Cooper pair correlations are simultaneously enhanced. We also briefly comment on the strong particle-hole asymmetry of the model.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A case for radio galaxies as the sources of IceCube's astrophysical neutrino flux

We present an argument that radio galaxies (active galaxies with mis-aligned jets) are likely to be the primary sources of the high-energy astrophysical neutrinos observed by IceCube. In particular, if the gamma-ray emission observed from radio galaxies is generated through the interactions of cosmic-ray protons with gas, these interactions can also produce a population of neutrinos with a flux and spectral shape similar to that measured by IceCube. We present a simple physical model in which high-energy cosmic rays are confined within the volumes of radio galaxies, where they interact with gas to generate the observed diffuse fluxes of neutrinos and gamma rays. In addition to simultaneously accounting for the observations of Fermi and IceCube, radio galaxies in this model also represent an attractive class of sources for the highest energy cosmic rays.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Nonadiabatic coupling of the dynamical structure to the superconductivity in YSr 2 Cu 2.75 Mo 0.25 O 7.54 and Sr 2 CuO 3.3

A crucial issue in cuprates is the extent and mechanism of the coupling of the lattice to the electrons and the superconductivity. Here we report Cu K edge extended X-ray absorption fine structure measurements elucidating the internal quantum tunneling polaron (iqtp) component of the dynamical structure in two heavily overdoped superconducting cuprate compounds, tetragonal YSr 2 Cu 2.75 Mo 0.25 O 7.54 with superconducting critical temperature, T c = 84 K and hole density p = 0.3 to 0.5 per planar Cu, and the tetragonal phase of Sr 2 CuO 3.3 with T c = 95 K and p = 0.6. In YSr 2 Cu 2.75 Mo 0.25 O 7.54 changes in the Cu-apical O two-site distribution reflect a sequential renormalization of the double-well potential of this site beginning at T c , with the energy difference between the two minima increasing by ~6 meV between T c and 52 K. Sr 2 CuO 3.3 undergoes a radically larger transformation at T c , >1-Å displacements of the apical O atoms. The principal feature of the dynamical structure underlying these transformations is the strongly anharmonic oscillation of the apical O atoms in a double-well potential that results in the observation of two distinct O sites whose Cu–O distances indicate different bonding modes and valence-charge distributions. The coupling of the superconductivity to the iqtp that originates in this nonadiabatic coupling between the electrons and lattice demonstrates an important role for the dynamical structure whereby pairing occurs even in a system where displacements of the atoms that are part of the transition are sufficiently large to alter the Fermi surface. The synchronization and dynamic coherence of the iqtps resulting from the strong interactions within a crystal would be expected to influence this process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗