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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

The β + decay of 37 K as a multi-faceted probe of fundamental physics

Precision β decay experiments represent an important and complimentary approach to high-energy searches for physics outside the ''Standard Model'', our current understanding of fundamental particles and their interactions. The mirror decay of 37 K provides an excellent probe with which to search for new physics. The ft value of this (as well as other T = 1/2 mirror transitions) can be used to provide a measurement of the value of the V ud element of the CKM mass-mixing matrix, complementing the value obtained from superallowed pure Fermi decays. In addition, the polarized angular distribution parameters are sensitive to a variety of possible new physics: the β and ν asymmetries can be used to search for right-handed currents in the charged weak interaction, and their energy-dependences are sensitive to second-class currents forbidden in the Standard Model. Time-reversal symmetry can also be tested by a precision measurement of the triple-vector correlation between the initial nuclear spin and the momenta of the leptons. An overview of the variety of physics that can be probed using laser-cooled 37 K and the techniques used to perform the precision measurements is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

``Towards Strange Metallic Holography'

We initiate a holographic model building approach to 'strange metallic' phenomenology. Our model couples a neutral Lifshitz-invariant quantum critical theory, dual to a bulk gravitational background, to a finite density of gapped probe charge carriers, dually described by D-branes. In the physical regime of temperature much lower than the charge density and gap, we exhibit anomalous scalings of the temperature and frequency dependent conductivity. Choosing the dynamical critical exponent z appropriately we can match the non-Fermi liquid scalings, such as linear resistivity, observed in strange metal regimes. As part of our investigation we outline three distinct string theory realizations of Lifshitz geometries: from F theory, from polarized branes, and from a gravitating charged Fermi gas. We also identify general features of renormalization group flow in Lifshitz theories, such as the appearance of relevant charge-charge interactions when z {ge} 2. We outline a program to extend this model building approach to other anomalous observables of interest such as the Hall conductivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2

The atomic and electronic structures of the pristine PdSe 2 as well as various intrinsic vacancy defects in PdSe 2 are studied comprehensively by combining scanning tunneling microscopy, spectroscopy and density functional theory calculations. Other than the topmost Se atoms, sublayer Pd atoms, the intrinsic Pd and Se vacancy-defects are identified. Both V Se and V Pd defects induce defect states near Fermi level. As a result, the vacancy defects can be negatively charged by tip gating effect. At negative sample bias, the screened Coulomb interaction between STM tip and the charged vacancies creates disk-like protrusion around V Pd and crater-like features around V Se . The magnification effect of the long-range charge localization at the charged defect site makes sublayer defects as deep as 1nm visible even in STM images. In conclusion, this result proves that by gating the probe, scanning probe microscopy can be used as an easy tool for characterizing sublayer defects in a nondestructive way.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Emergence of Moiré Dirac Fermions at the Interface of Topological and 2D Magnetic Insulators

Dirac Fermions on the surface of the topological insulator are spin-momentum locked and topologically protected, making them interesting for spintronics and quantum computing applications. When in proximity to magnetism and superconductivity, these electronic states could result in quantum anomalous Hall effect and Majorana Fermions, respectively. An even more dramatic enrichment of the topological insulators’ physics is expected for moiré superlattices, where, analogously to the twisted graphene layers, electronic correlations could be strongly enhanced, a task previously notoriously difficult to achieve in topological matter. Until now, the experimental confirmation of such moiré properties has remained elusive. Here, we grow the two-dimensional van der Waals magnetic insulators FeX 2 (where X = Cl or Br) on top of the topological insulator Bi 2 Se 3 and establish a moiré superlattice formation at the interface. By means of scanning tunneling microscopy and angle-resolved photoemission spectroscopy, we investigate the electronic properties of the formed moiré superlattice and demonstrate its tunability via the film choice. We reveal replicated Dirac cones and focus on their intersections, which, in the case of FeBr 2 /Bi 2 Se 3 , occur below the Fermi level. We identify the signatures of small gaps at the intersections around the M̅ i points that we attribute to the moiré interaction. These findings point to the specific type of magnetic moiré potential that breaks the time-reversal symmetry at these points but not at the $\barΓ$ point. Our observations provide an intriguing scenario of correlated topological phases induced by moiré superlattice that may result in topological superconductivity, high Chern number phases, and exotic noncollinear magnetic textures.

2D magnets↗
DOE OSTI2017

Spectroscopic signature of moment-dependent electron–phonon coupling in 2 H -TaS 2

Here, charge density wave (CDW) order is ubiquitous among low-dimensional electronic systems, as realized in layered materials such as various 1 T and 2 H polytypes of transition metal dichalcogenides (TMDs). In particular, 2 H -TaS 2 , a prominent member of the vast family of TMDs, hosts a canonical CDW phase transition whose mechanism remains controversial even after decades of research. Using state-of-the-art angle resolved photoemission spectroscopy (ARPES) measurements, we report, for the first time, pronounced many-body renormalizations in 2 H -TaS 2 . These renormalizations are manifested by the presence of multiple slope changes, known as “kinks”, in the electronic dispersions. The temperature independence of the kink energies and their close correspondence with the phonon frequencies of the system evidence that these renormalizations are caused by electron–phonon interactions. In addition, the electron–phonon coupling parameter is momentum-dependent, and the CDW vector is not compatible with any of the Fermi surface nesting vectors. Collectively, these observations establish that the origin of the CDW transition in 2 H -TaS 2 is not the same as that of the Peierls ordering transition, rather this transition is triggered by strong electron–phonon coupling including its momentum anisotropy. The commonality between the ARPES data on 2 H -TaS 2 and those on 2H-TaSe 2 and 2 H -NbSe 2 rationalize the above interpretation of the CDW transition being generic to incommensurate CDW orders in 2 H polytypes of TMDs.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Spin current source based on a quantum point contact with local spin-orbit interaction

Proposal for construction of a source of spin-polarized current based on quantum point contact (QPC) with local spin-orbit interaction is presented. We show that spin-orbit interaction present within the narrowing acts like a spin filter. The spin polarization of the current is discussed as a function of the Fermi energy and the width of the QPC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

$O(N)$ ab initio calculation scheme for large-scale moiré structures

Here we present a two-step method specifically tailored for band structure calculation of the small-angle moiré-pattern materials which contain tens of thousands of atoms in a unit cell. In the first step, the self-consistent field calculation for the ground state is performed with the O(N) Krylov subspace method implemented in openmx. Second, the crystal momentum-dependent Bloch Hamiltonian and overlap matrix are constructed from the results obtained in the first step and only a small number of eigenvalues near the Fermi energy are solved with shift-invert and Lanczos techniques. By systematically tuning two key parameters, the cutoff radius for electron hopping interaction and the dimension of the Krylov subspace, we obtained the band structures for both rigid and corrugated twisted bilayer graphene structures down to the first magic angle (θ = 1.08°) with high enough accuracy at affordable costs. The band structures are in good agreement with those from tight-binding models, continuum models, plane-wave pseudopotential based ab initio calculations, and experimental observations. This method is also shown to be efficient in twisted double-bilayer graphene and bilayer WSe 2 . We think this two-step method can play a crucial role in other twisted two-dimensional materials, especially those with much more complex band structure and where the effective model is hard to construct.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The Short-Baseline Neutrino Program at Fermilab

The Short-Baseline Neutrino (SBN) program consists of three liquid argon time-projection chamber detectors located along the Booster Neutrino Beam at Fermi National Accelerator Laboratory. Its main goals include searches for New Physics—particularly eV-scale sterile neutrinos, detailed studies of neutrino–nucleus interactions at the GeV energy scale, and the advancement of the liquid argon detector technology that will also be used in the DUNE/LBNF long-baseline neutrino experiment in the next decade. Here, we review these science goals and the current experimental status of SBN.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Measurement of muon neutrino and antineutrino induced single neutral pion production cross sections

Elucidating the nature of neutrino oscillation continues to be a goal in the vanguard of the efforts of physics experiment. As neutrino oscillation searches seek an increasingly elusive signal, a thorough understanding of the possible backgrounds becomes ever more important. Measurements of neutrino-nucleus interaction cross sections are key to this understanding. Searches for ν μ → ν e oscillation - a channel that may yield insight into the vanishingly small mixing parameter θ 1 3, CP violation, and the neutrino mass hierarchy - are particularly susceptible to contamination from neutral current single π 0 (NC 1π 0 ) production. Unfortunately, the available data concerning NC 1π 0 production are limited in scope and statistics. Without satisfactory constraints, theoretical models of NC 1π 0 production yield substantially differing predictions in the critical E ν ~ 1 GeV regime. Additional investigation of this interaction can ameliorate the current deficiencies. The Mini Booster Neutrino Experiment (MiniBooNE) is a short-baseline neutrino oscillation search operating at the Fermi National Accelerator Laboratory (Fermilab). While the oscillation search is the principal charge of the MiniBooNE collaboration, the extensive data (~ 10 6 neutrino events) offer a rich resource with which to conduct neutrino cross section measurements. This work concerns the measurement of both neutrino and antineutrino NC 1π 0 production cross sections at MiniBooNE. The size of the event samples used in the analysis exceeds that of all other similar experiments combined by an order of magnitude. We present the first measurements of the absolute NC 1π 0 cross section as well as the first differential cross sections in both neutrino and antineutrino mode. Specifically, we measure single differential cross sections with respect to pion momentum and pion angle. We find the flux-averaged, total cross sections for NC 1π 0 production on CH 2 to be (4.76 ± 0.05 stat ± 0.76 sys ) x 10 -40 cm 2 /nucleon at <E ν > = 808 MeV for neutrino induced production and (1.48 ± 0.05 stat ± 0.23 sys ) x 10 -40 cm 2 /nucleon at <E ν > = 664 MeV for antineutrino induced production.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

A Measurement of the Two Track Charged Current Quasi-Elastic Cross Section with the MINER$\nu$A Detector

The MINER$\nu$A detector collected 1.2 × 10 20 POT of $\nu$ μ data with the NuMI beam at Fermi National Laboratory from 03/2010 to 07/2010. I will describe an analysis to identify two track charged current muon neutrino quasi-elastic interactions using this data set. The final state muon was identified by curvature using the MINOS detector. The final state contained proton was identified by the energy deposited per unit length at the end of the track. Two additional cuts were applied to separate signal from background: a cut on the extra energy in the event and a cut on a proton energy dependent variable. The dσ/dQ2 using this selection is presented. An initial list of systematic errors is introduced and calculated. In addition to this analysis work, I also developed both pattern recognition schemes used by the experiment, wrote MINOS muon track matching algorithms, implemented a Kalman Filter track fitting algorithm and contributed to various other tasks to the MINER$\nu$A experiment; I will provide an explanation of these. I will also give a brief overview of neutrino physics, the NuMI beam, and the MINER$\nu$A detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2014

Unusual Flaring Activity in the Blazar PKS 1424-418 During 2008-2011

Blazars are a subset of active galactic nuclei (AGN) with jets that are oriented along our line of sight. Variability and spectral energy distribution (SED) studies are crucial tools for understanding the physical processes responsible for observed AGN emission. Aims. We report peculiar behavior in the bright gamma-ray blazar PKS 1424-418 and use its strong variability to reveal information about the particle acceleration and interactions in the jet. Methods. Correlation analysis of the extensive optical coverage by the ATOM telescope and nearly continuous -ray coverage by the Fermi Large Area Telescope is combined with broadband, time-dependent modeling of the SED incorporating supplemental information from radio and X-ray observations of this blazar. Results. We analyse in detail four bright phases at optical-GeV energies. These flares of PKS 1424-418 show high correlation between these energy ranges, with the exception of one large optical flare that coincides with relatively low -ray activity. Although the optical/gamma-ray behavior of PKS 1424-418 shows variety, the multiwavelength modeling indicates that these differences can largely be explained by changes in the flux and energy spectrum of the electrons in the jet that are radiating. We find that for all flares the SED is adequately represented by a leptonic model that includes inverse Compton emission from external radiation fields with similar parameters. Conclusions. Detailed studies of individual blazars like PKS 1424-418 during periods of enhanced activity in different wavebands are helping us identify underlying patterns in the physical parameters in this class of AGN.

flaring↗
DOE OSTI2016

Monte Carlo simulations of ionization potential depression in dense plasmas

A particle-particle grand canonical Monte Carlo model with Coulomb pair potential interaction was used to simulate modification of ionization potentials by electrostatic microfields. The Barnes-Hut tree algorithm [J. Barnes and P. Hut, Nature 324, 446 (1986)] was used to speed up calculations of electric potential. Atomic levels were approximated to be independent of the microfields as was assumed in the original paper by Ecker and Kröll [Phys. Fluids 6, 62 (1963)]; however, the available levels were limited by the corresponding mean inter-particle distance. The code was tested on hydrogen and dense aluminum plasmas. The amount of depression was up to 50% higher in the Debye-Hückel regime for hydrogen plasmas, in the high density limit, reasonable agreement was found with the Ecker-Kröll model for hydrogen plasmas and with the Stewart-Pyatt model [J. Stewart and K. Pyatt, Jr., Astrophys. J. 144, 1203 (1966)] for aluminum plasmas. Our 3D code is an improvement over the spherically symmetric simplifications of the Ecker-Kröll and Stewart-Pyatt models and is also not limited to high atomic numbers as is the underlying Thomas-Fermi model used in the Stewart-Pyatt model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Silver clusters tune up electronic properties of graphene nanoflakes: A comprehensive theoretical study

Graphene-silver composites reflect a synergic effect of both components with enhanced electronic, adsorption and catalytic properties. We introduce here the detailed theoretical study on geometric, thermodynamic and electronic properties of silver clusters Ag n (n=2–10) adsorbed on graphene nanoflakes as a model for silver-graphene composites. First, a benchmark study is performed on Ag n …coronene complexes (n=2, 4) by evaluating various functional against reported high level ab-initio method for the selection of best functional for further calculations. Then, density functional theory study at the best chosen level is performed to inquire how clustering of adsorbate attached with carbon surface can impact geometric, electronic and thermodynamic properties of silver-graphene composites. Furthermore, the interaction energies are corrected for dispersion and basis set superposition error in order to get more realistic estimate of interaction energies. In progression, we investigated the dependence of interaction energy upon cluster size and dimensionality. For Ag n …coronene, the binding energies increase monotonically as the number of atoms in the cluster increases. However, for Ag n …dodecabenzocoronene, the interaction energies show a sudden drop at Ag 7 …dodecabenzocoronene. The difference in behavior between Ag n …dodecabenzocoronene and Ag n …coronene for interaction energy is attributed to edge effect present in coronene. Furthermore, coplanar orientations of the silver clusters on polyaromatic hydrocarbons have higher interaction energies. The 2D-3D transition of the silver cluster is observed for Ag 7 …coronene. CDA analysis reveals that backdonation from dodecabenzocoronene to silver clusters is more dominant in Ag 4 –Ag 7 whereas other clusters have dominant charge transfer to dodecabenzocoronene. Charge transfer analysis via constrained density functional theory (CDFT) reveals significant energy lowering from charge donor-acceptor interactions. Further energy decomposition analysis (EDA) using absolutely-localized molecular orbitals (ALMO) suggests that, while charge-transfer is important in these systems, the sum of electrostatics, Pauli repulsion, and London dispersion are far more significant as silver cluster size increases. NCI results also support the presence of van der Waals and electrostatic interactions. The hollow top is most favorite interaction sites compared to bridge top and head top binding sites over coronene lattice. The ionization potential, electron affinity, frontier molecular orbital analysis, chemical hardness, softness, chemical potential, and Fermi levels are deliberated to verify the stability and reactivity of most stable silver-graphene composites. The remarkable outcome of the current findings makes our silver-graphene composite as a potential applicant for high performance electronic and catalytic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

The TeV blazar measurement of the extragalactic background light

Gamma-rays propagating through space are likely to be extinguished via electron-positron pair production off of the ambient extragalactic background light (EBL). The spectrum of the EBL is produced by starlight (and starlight reprocessed by dust) from all galaxies throughout the history of the Universe. The attenuation of 40–400 GeV gamma-rays has been observed by Fermi and used to measure the EBL spectrum over energies 1 eV–10 eV out to redshift z ∼ 1. Measurements of several TeV blazers are consistent with attenuation, attributed to the EBL at redshift z ∼ 0.1. Here we simultaneously analyze a set of TeV blazers at z ∼ 0.1 to measure the optical depth for 100 GeV–10 TeV gamma-rays, which interact with EBL of energies 0.05 eV–5 eV. Using a suite of models for the EBL, we show that the optical depth indicated by TeV blazar attenuation is in good agreement with the optical depths measured by Fermi at lower gamma-ray energies and higher redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Realizability-preserving DG-IMEX method for the two-moment model of fermion transport

Building on the framework of Zhang & Shu [1], [2], we develop a realizability-preserving method to simulate the transport of particles (fermions) through a background material using a two-moment model that evolves the angular moments of a phase space distribution function f . The two-moment model is closed using algebraic moment closures; e.g., as proposed by Cernohorsky & Bludman [3] and Banach & Larecki [4]. Variations of this model have recently been used to simulate neutrino transport in nuclear astrophysics applications, including core-collapse supernovae and compact binary mergers. We employ the discontinuous Galerkin (DG) method for spatial discretization (in part to capture the asymptotic diffusion limit of the model) combined with implicit-explicit (IMEX) time integration to stably bypass short timescales induced by frequent interactions between particles and the background. Appropriate care is taken to ensure the method preserves strict algebraic bounds on the evolved moments (particle density and flux) as dictated by Pauli's exclusion principle, which demands a bounded distribution function (i.e., f ϵ [0,1]). This realizability-preserving scheme combines a suitable CFL condition, a realizability-enforcing limiter, a closure procedure based on Fermi-Dirac statistics, and an IMEX scheme whose stages can be written as a convex combination of forward Euler steps combined with a backward Euler step. The IMEX scheme is formally only first-order accurate, but works well in the diffusion limit, and — without interactions with the background — reduces to the optimal second-order strong stability-preserving explicit Runge-Kutta scheme of Shu & Osher [5]. Numerical results demonstrate the realizability-preserving properties of the scheme. As a result, we also demonstrate that the use of algebraic moment closures not based on Fermi-Dirac statistics can lead to unphysical moments in the context of fermion transport.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Collision of two spin-polarized fermionic clouds

We study the collision of two spin-polarized Fermi clouds in a harmonic trap using a simulation of the Boltzmann equation. As observed in recent experiments, we find three distinct regimes of behavior. For weak interactions the clouds pass through each other. If interactions are increased they approach each other exponentially and for strong interactions they bounce off each other several times. We thereby demonstrate that all these phenomena can be reproduced using a semiclassical collisional approach and that these changes in behavior are associated with an increasing collision rate. We then show that the oscillation of the clouds in the bounce regime is an example of an unusual case in quantum gases: a nonlinear coupling between collective modes, namely, the spin dipole mode and the axial breathing mode, which is enforced by collisions. We also determine the frequency of the bounce as a function of the final temperature of the equilibrated system.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Effects of anisotropy and disorder on the superconducting properties of niobium

We report results for the superconducting transition temperature and anisotropic energy gap for pure niobium based on Eliashberg’s equations and electron and phonon band structures computed from density functional theory. The electronic band structure is used to construct the Fermi surface and calculate the Fermi velocity at each point on the Fermi surface. The phonon bands are in excellent agreement with inelastic neutron scattering data. The corresponding phonon density of states and electron–phonon coupling define the electron–phonon spectral function, α 2 F(p, p'; ω), and the corresponding electron–phonon pairing interaction, which is the basis for computing the superconducting properties. The electron–phonon spectral function is in good agreement with existing tunneling spectroscopy data except for the spectral weight of the longitudinal phonon peak at ℏω LO = 23 meV. We obtain an electron–phonon coupling constant of λ = 1.057, renormalized Coulomb interaction μ* = 0.218, and transition temperature T c = 9.33 K. The corresponding strong-coupling gap at T = 0 is modestly enhanced, Δ 0 = 1.55 meV, compared to the weak-coupling BCS value $Δ^{\text {wc}}_{0}$ = 1.78 k B T c = 1.43 meV. The superconducting gap function exhibits substantial anisotropy on the Fermi surface. We analyze the distribution of gap anisotropy and compute the suppression of the superconducting transition temperature using a self-consistent T-matrix theory for quasiparticle-impurity scattering to describe niobium doped with non-magnetic impurities. We compare these results with experimental results on niobium SRF cavities doped with nitrogen impurities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗