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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Physical origin of enhanced electrical conduction in aluminum-graphene composites

In this study, the electronic and transport properties of aluminum-graphene composite materials were investigated using the ab initio plane wave density functional theory. The interfacial structure is reported for several configurations. In some cases, the face-centered aluminum (111) surface relaxes in a nearly ideal registry with graphene, resulting in a remarkably continuous interface structure. The Kubo–Greenwood formula and space-projected conductivity were employed to study electronic conduction in aluminum single- and double-layer graphene-aluminum composite models. The electronic density of states at the Fermi level is enhanced by the graphene for certain aluminum–graphene interfaces, thus improving electronic conductivity. In double-layer graphene composites, conductivity varies non-monotonically with temperature, showing an increase between 300 and 400 K at short aluminum-graphene distances, unlike the consistent decrease in single-layer composites.

36 MATERIALS SCIENCE↗
DOE OSTI2015

SOLAR INTERACTING PROTONS VERSUS INTERPLANETARY PROTONS IN THE CORE PLUS HALO MODEL OF DIFFUSIVE SHOCK ACCELERATION AND STOCHASTIC RE-ACCELERATION

With the first observations of solar γ-rays from the decay of pions, the relationship of protons producing ground level enhancements (GLEs) on the Earth to those of similar energies producing the γ-rays on the Sun has been debated. These two populations may be either independent and simply coincident in large flares, or they may be, in fact, the same population stemming from a single accelerating agent and jointly distributed at the Sun and also in space. Assuming the latter, we model a scenario in which particles are accelerated near the Sun in a shock wave with a fraction transported back to the solar surface to radiate, while the remainder is detected at Earth in the form of a GLE. Interplanetary ions versus ions interacting at the Sun are studied for a spherical shock wave propagating in a radial magnetic field through a highly turbulent radial ray (the acceleration core) and surrounding weakly turbulent sector in which the accelerated particles can propagate toward or away from the Sun. The model presented here accounts for both the first-order Fermi acceleration at the shock front and the second-order, stochastic re-acceleration by the turbulence enhanced behind the shock. We find that the re-acceleration is important in generating the γ-radiation and we also find that up to 10% of the particle population can find its way to the Sun as compared to particles escaping to the interplanetary space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Screening charge localization at LiNbO{sub 3} surface with Schottky junction

Screening charge localization was demonstrated by using a Schottky contact with LiNbO{sub 3} (LN). A Cr/LN stack structure with a 2 μm diameter hole array penetrating the Cr layer localized the screening charge of LN in the hole, although the Al/LN stack structure exhibited no surface charge localization behavior. X-ray photoelectron spectroscopy revealed that Cr formed a Schottky contact with LN, which prevents the screening charge from escaping from the hole arrays. The screening charge localization was enhanced by inserting SiO{sub 2} between the metal and LN, which moved the position of the Fermi level to mid gap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Indium Substitution Effect on the Topological Crystalline Insulator Family (Pb 1$-$x Sn x )1 $-$y InyTe: Topological and Superconducting Properties

Topological crystalline insulators (TCIs) have been of great interest in the area of condensed matter physics. We investigated the effect of indium substitution on the crystal structure and transport properties in the TCI system (Pb 1-x Sn x ) 1-y In y Te. For samples with a tin concentration x ≤ 50% , the low-temperature resisitivities show a dramatic variation as a function of indium concentration: with up to ~2% indium doping, the samples show weak-metallic behavior similar to their parent compounds; with `6% indium doping, samples have true bulk-insulating resistivity and present evidence for nontrivial topological surface states; with higher indium doping levels, superconductivity was observed, with a transition temperature, T c , positively correlated to the indium concentration and reaching as high as 4.7 K. We address this issue from the view of bulk electronic structure modified by the indium-induced impurity level that pins the Fermi level. The current work summarizes the indium substitution effect on (Pb,Sn)Te, and discusses the topological and superconducting aspects, which can be provide guidance for future studies on this and related systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Quantum simulations of excited states with active-space downfolded Hamiltonians

Many-body techniques based on the double unitary coupled cluster ansatz (DUCC) can be used to downfold electronic Hamiltonians into low-dimensional active spaces. It can be shown that the resulting dimensionality reduced Hamiltonians are amenable for quantum computing. Recent studies performed for several benchmark systems using quantum phase estimation (QPE) algorithms demonstrated that these formulations can recover a significant portion of ground-state dynamical correlation effects that stem from the electron excitations outside of the active space. These results have also been confirmed in studies of ground-state potential energy surfaces using quantum simulators. In this letter, we study the effectiveness of the DUCC formalism in describing excited states. We also emphasize the role of the QPE formalism and its stochastic nature in discovering/identifying excited states or excited-state processes in situations when the knowledge about the true configurational structure of a sought after excited state is limited or postulated (due to the specific physics driving excited-state processes of interest). In this context, we can view the QPE algorithm as an engine for verifying various hypotheses for excited-state processes and providing statistically meaningful results that correspond to the electronic state(s) with the largest overlap with a postulated configurational structure. We illustrate these ideas on examples of strongly cor- related molecular systems, characterized by small energy gaps and high density of quasi-degenerate states around the Fermi level.

quantum chemistry, quantum computing, computationa↗
DOE OSTI2023

Prototyping the Light Detection of the DUNE Near Detector

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment with a 70kt liquid argon time projection chamber (LAr TPC) at the Far Detector complex at the Sanford Underground Research Facility (SURF) and a Near Detector (ND) complex planned for the Fermi National Accelerator Laboratory. The ND complex plans for three detector subsystems, including a modular LAr TPC comprised of 35 optically segregated modules. The modular detector design required the development a novel dielectric light readout, the ArCLight technology, which can be operated in a high voltage environment and has a large active surface. A demonstrator of four modular detectors, DUNE ND-LAr 2x2, will operate in 2023 in Fermilab's NuMI beam. After the construction of the modules was completed, they were successfully operated and commissioned in liquid argon using cosmic-ray muons at the University of Bern. This talk will discuss the designs of the light readout systems used in these modules with focus on the construction and commissioning of the ArCLights as well as the performance of the LRS during the tests at Bern.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2019

Discovery of Soft X-ray Pulsations from PSR J1231-1411 using NICER

We report the discovery of soft X-ray pulsations from the nearby millisecond pulsar PSR J1231−1411 using the Neutron Star Interior Composition Explorer (NICER). The pulsed emission is characterized by a broad and asymmetric main pulse and a much fainter secondary interpulse, with a total pulsed count rate of 0.055 c s−1 in the 0.35–1.5 keV band. We analyzed Fermi Large Area Telescope (LAT) data to update the pulse timing model covering 10 yr of data and used that model to coherently combine NICER data over a year of observations. Spectral modeling suggests that the flux is dominated by thermal emission from a hot spot (or spots) on the neutron star surface. The phase relationship between the X-ray pulse and the radio and γ rays provides insight into the geometry of the system.

gamma rays↗
DOE OSTI2026

Microwave Vortex Motion Characterization of Nb$_{3}$ Sn Coatings for Applications in High Magnetic Fields

In this work, microwave measurements carried out in dielectric-loaded resonators exposed to high magnetic fields are exploited to yield the surface impedance of Nb$_3$ Sn superconducting coatings deposited via two different techniques: vapor tin diffusion, and DC magnetron sputtering. The obtained data lead to qualitative interpretations on both the Nb$_3$ Sn superconducting properties, and vortex-dynamics and pinning, of each coating separately, as well as simple distinctive features when comparing those. When examining the respective surface impedances at varying field, it is expected that the studied films perform at substantially diverse magnitudes of flux-flow resistivity, but also in well-differentiated pinning regimes, yet the obtained surface resistances of both samples are comparable, thus demonstrating that there is room for film optimization at the expense of certain compromise between the parameters involved.

Nb3Sn↗
DOE OSTI2016

Point-contact Andreev reflection spectroscopy on Bi 2 Se 3 single crystals

In order to study how Andreev reflection (AR) occurs between a superconductor and a three-dimensional topological insulator (TI), we use superconducting Nb tips to perform point-contact AR spectroscopy at 4.2 K on as-grown single crystals of Bi 2 Se 3 . Scanning tunneling spectroscopy and scanning tunneling microscopy are also used to characterize the superconducting tip and both the doping level and surface condition of the TI sample. Furthermore, the point-contact measurements show clear spectral signatures of AR, as well as a depression of zero-bias conductance with decreasing junction impedance. The latter observation can be attributed to interfacial Rashba spin-orbit coupling, and the presence of bulk bands at the Fermi level in our samples suggests that bulk states of Bi2Se3 are involved in the observed AR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

THE BRAKING INDEX OF A RADIO-QUIET GAMMA-RAY PULSAR

We report the discovery and timing measurements of PSR J1208−6238, a young and highly magnetized gamma-ray pulsar, with a spin period of 440 ms. The pulsar was discovered in gamma-ray photon data from the Fermi Large Area Telescope (LAT) during a blind-search survey of unidentified LAT sources, running on the distributed volunteer computing system Einstein@Home . No radio pulsations were detected in dedicated follow-up searches with the Parkes radio telescope, with a flux density upper limit at 1369 MHz of 30 μ Jy. By timing this pulsar’s gamma-ray pulsations, we measure its braking index over five years of LAT observations to be n = 2.598 ± 0.001 ± 0.1, where the first uncertainty is statistical and the second estimates the bias due to timing noise. Assuming its braking index has been similar since birth, the pulsar has an estimated age of around 2700 years, making it the youngest pulsar to be found in a blind search of gamma-ray data and the youngest known radio-quiet gamma-ray pulsar. Despite its young age, the pulsar is not associated with any known supernova remnant or pulsar wind nebula. The pulsar’s inferred dipolar surface magnetic field strength is 3.8 × 10{sup 13} G, almost 90% of the quantum-critical level. We investigate some potential physical causes of the braking index deviating from the simple dipole model but find that LAT data covering a longer time interval will be necessary to distinguish between these.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Engineering three-dimensional topological insulators in Rashba-type spin-orbit coupled heterostructures

Topological insulators represent a new class of quantum phase defined by invariant symmetries and spin-orbit coupling that guarantees metallic Dirac excitations at its surface. The discoveries of these states have sparked the hope of realizing non-trivial excitations and novel effects such as a magnetoelectric effect and topological Majorana excitations. Here we develop a theoretical formalism to show that a three-dimensional topological insulator can be designed artificially via stacking bilayers of two-dimensional Fermi gases with opposite Rashba-type spin-orbit coupling on adjacent layers, and with interlayer quantum tunneling. We demonstrate that in the stack of bilayers grown along a (001)-direction, a non-trivial topological phase transition occurs above a critical number of Rashba bilayers. In the topological phase, we find the formation of a single spin-polarized Dirac cone at the G-point. This approach offers an accessible way to design artificial topological insulators in a set up that takes full advantage of the atomic layer deposition approach. This design principle is tunable and also allows us to bypass limitations imposed by bulk crystal geometry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Suppression of the vacuum space-charge effect in fs-photoemission by a retarding electrostatic front lens

The performance of time-resolved photoemission experiments at fs-pulsed photon sources is ultimately limited by the e–e Coulomb interaction, downgrading energy and momentum resolution. Here, we present an approach to effectively suppress space-charge artifacts in momentum microscopes and photoemission microscopes. A retarding electrostatic field generated by a special objective lens repels slow electrons, retaining the k-image of the fast photoelectrons. The suppression of space-charge effects scales with the ratio of the photoelectron velocities of fast and slow electrons. Fields in the range from -20 to 01100 V/mm for E kin = 100 eV to 4 keV direct secondaries and pump-induced slow electrons back to the sample surface. Ray tracing simulations reveal that this happens within the first 40 to 3 μm above the sample surface for E kin = 100 eV to 4 keV. An optimized front-lens design allows switching between the conventional accelerating and the new retarding mode. Time-resolved experiments at E kin = 107 eV using fs extreme ultraviolet probe pulses from the free-electron laser FLASH reveal that the width of the Fermi edge increases by just 30 meV at an incident pump fluence of 22 mJ/cm2 (retarding field -21 V/mm). For an accelerating field of +2 kV/mm and a pump fluence of only 5 mJ/cm 2 , it increases by 0.5 eV (pump wavelength 1030 nm). At the given conditions, the suppression mode permits increasing the slow-electron yield by three to four orders of magnitude. The feasibility of the method at high energies is demonstrated without a pump beam at E kin = 3830 eV using hard x rays from the storage ring PETRA III. The approach opens up a previously inaccessible regime of pump fluences for photoemission experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Evidence for Majorana bound states in an iron-based superconductor

The search for Majorana bound state (MBS) has recently emerged as one of most active research areas in condensed matter physics, due to its non-Abelian statistics which can be used for robust quantum computation. A highly soughtafter platform for MBS is two-dimensional topological superconductors, where MBS is predicted to exist as a zero-energy mode in the core of a vortex. A clear observation of MBS, however, is often hindered by the presence of additional low-energy bound states inside the vortex core. By using scanning tunneling microscope on the newly discovered superconducting topological surface state of iron-based superconductor FeTe 1-x Se x (x = 0.45, T c = 14.5 K), we clearly observe a pristine MBS inside a vortex core, well separated from non-topological bound states which are pushed away from zero energy due to the high ratio between the superconducting gap and the Fermi energy in this material. This observation offers a new, robust platform for realizing and manipulating Majorana bound states at a relatively high temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Chirality locking charge density waves in a chiral crystal

In Weyl semimetals, charge density wave (CDW) order can spontaneously break the chiral symmetry, gap out the Weyl nodes, and drive the material into the axion insulating phase. Investigations have however been limited since CDWs are rarely seen in Weyl semimetals. Here, using scanning tunneling microscopy/spectroscopy (STM/S), we report the discovery of a novel unidirectional CDW order on the (001) surface of chiral crystal CoSi – a unique Weyl semimetal with unconventional chiral fermions. The CDW is incommensurate with both lattice momentum and crystalline symmetry directions, and exhibits an intra unit cell π phase shift in the layer stacking direction. The tunneling spectrum shows a particle-hole asymmetric V-shaped energy gap around the Fermi level that modulates spatially with the CDW wave vector. Combined with first-principle calculations, we identify that the CDW is locked to the crystal chirality and is related by a mirror reflection between the two enantiomers of the chiral crystal. Our findings reveal a novel correlated topological quantum state in chiral CoSi crystals and raise the potential for exploring the unprecedented physical behaviors of unconventional chiral fermions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Synthesis and Observation of Emergent Phenomena in Epitaxial Heusler Compound Heterostructures

The proposal was on the synthesis and observation of emergent phenomena in epitaxial Heusler compound heterostructures. The large range of properties and number of Heusler compounds opens up a wide number of potential compounds that will exhibit emergent phenomena. The similarity, large range of relatively inexpensive, large area, high crystal quality, III-V bulk substrates, lattice parameters and the ability to tune the lattice parameters through ternary or quaternary III-V compound semiconductor epitaxial growth, makes III-V semiconductors an ideal choice for substrates for epitaxial growth of Heusler compounds. A number of half Heusler compounds have been predicted to exhibit band inversion, making them topological and are therefore expected to exhibit spin-momentum locked topological surface states with linear dispersion. Others are predicted to be semimetals with Weyl points and others semiconducting and magnetic. During the course of this grant, emphasis has been on investigating Heusler compounds with emergent phenomena and demonstrating the ability to tune their properties through alloying and strain. We have grown toplogical semimetal (PtLuSb, PtMnBi), Weyl (Co 2 MnAl, Co 2 TiGe), half metal (PtMnSb, Co 2 MnSi, Co 2 MnAl x Si 1-x , Co2FeAl), and semiconducting (CoTiSb, NiTiSn) and tuned their properties through alloying and epitaxial strain. We also investigated the closely related materials of rare-earth monopnictide, some of which have also been predicted to be topological. During the attempts to grow the PtMnBi, it was discovered that Bi, another predicted topological material when ultrathin, could be grown epitaxially on InSb, results for which are also reported here. The main focus for this effort has been on using variable photon energy and spin-dependent angle resolved photoemission (ARPES) to determine bulk band structure and surface states of pristine epitaxial films grown on III-V semiconductor and MgO substrates and correlate results with theory and transport measurements. Theory has been critical to interpretation of experimental results and has been essential in guiding experiments. The research benefited from several strong collaborations between the PIs and the beamline scientists at the Advanced Light Source at Lawrence Berkeley Laboratory, the Stanford Linear Accelerator Center (SLAC) at Stanford and at the Max Lab at Lund University in Sweden. The strong experiment - theory collaboration between the PI’s groups, the Palmstrøm group at UCSB and the Janotti group at the University of Delaware, has been critical for interpreting the experimental ARPES and magnetotransport measurements results and making predictions to guide experiments. Weekly interactive Zoom meetings made this work well. A collaboration between the Palmstrøm group and Dr. Alexei Fedorov at the Advanced Light Source (ALS) resulted in significant modifications to his end chamber to accommodate the vacuum suitcase that was designed and constructed in the Palmstrøm group at UCSB. In collaboration with beamline scientists, Drs. Makoto Hashimoto and Donghui Lu at SLAC, Palmstrøm made modifications to the vacuum suitcase and developed special sample holders that allowed samples to be grown in the Palmstrøm MBE systems at UCSB and transported in the UHV vacuum suitcase to SLAC for ARPES measurements. The development of the vacuum suitcase was essential for this grant as it has allowed variable photon energies to be used to identify surface versus bulk states on samples that could not be capped and decapped using As- or Sb-capping layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

X-ray measurement of the spin-down of CalverA: A radio- and gamma-ray-quiet pulsar

We measure spin-down of the 59 ms X-ray pulsar Calvera by comparing the XMM-Newton discovery data from 2009 with new Chandra timing observations taken in 2013. Its period derivative is P-dot =(3.19± 0.08)×10{sup −15}, which corresponds to spin-down luminosity E-dot =6.1×10{sup 35} erg s{sup –1}, characteristic age τ{sub c}≡P/2 P-dot =2.9×10{sup 5} yr, and surface dipole magnetic field strength B{sub s} = 4.4 × 10{sup 11} G. These values rule out a mildly recycled pulsar, but Calvera could be an orphaned central compact object (anti-magnetar), with a magnetic field that was initially buried by supernova debris and is now reemerging and approaching normal strength. We also performed unsuccessful searches for high-energy γ-rays from Calvera in both imaging and timing of >100 MeV Fermi photons. Even though the distance to Calvera is uncertain by an order of magnitude, an upper limit of d < 2 kpc inferred from X-ray spectra implies a γ-ray luminosity limit of <3.3 × 10{sup 32} erg s{sup –1}, which is less than that of any pulsar of comparable E-dot . Calvera shares some properties with PSR J1740+1000, a young radio pulsar that we show by virtue of its lack of proper motion was born outside of the Galactic disk. As an energetic, high-Galactic-latitude pulsar, Calvera is unique in being undetected in both radio and γ-rays to faint limits, which should place interesting constraints on models for particle acceleration and beam patterns in pulsar magnetospheres.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Infrared laser spectroscopy of the helium-solvated allyl and allyl peroxy radicals

Infrared spectra in the C–H stretch region are reported for the allyl (CH 2 CHCH 2 ) and allyl peroxy (CH 2 =CH–CH 2 OO·) radicals solvated in superfluid helium nanodroplets. Nine bands in the spectrum of the allyl radical have resolved rotational substructure. We have assigned three of these to the ν 1 (a 1 ), ν 3 (a 1 ), and ν 13 (b 2 ) C–H stretch bands and four others to the ν 14 /(ν 15 +2ν 11 ) (b 2 ) and ν 2 /(ν 4 +2ν 11 ) (a 1 ) Fermi dyads, and an unassigned resonant polyad is observed in the vicinity of the ν 1 band. Experimental coupling constants associated with Fermi dyads are consistent with quartic force constants obtained from density functional theory computations. The peroxy radical was formed within the He droplet via the reaction between allyl and O 2 following the sequential pick-up of the reactants. Five stable conformers are predicted for the allyl peroxy radical, and a computed two-dimensional potential surface for rotation about the CC–OO and CC–CO bonds reveals multiple isomerization barriers greater than ≈300 cm –1 . Furthermore, the C–H stretch infrared spectrum is consistent with the presence of a single conformer following the allyl + O 2 reaction within helium droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗