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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Enhanced pairing of quantum critical metals near d = 3 + 1

We study the dynamics of a quantum critical boson coupled to a Fermi surface in intermediate energy regimes where the Landau damping of the boson can be parametrically controlled, either via large Fermi velocity or by large- N techniques. We develop a systematic approach to the BCS instability of such systems, including careful treatment of the enhanced log 2 and log 3 singularities which appear already at 1-loop. These singularities arise due to the exchange of a critical boson in the Cooper channel and are absent in Fermi liquid theory. We also treat possible instabilities to charge density wave (CDW) formation, and compare the scales Λ BCS and Λ CDW of the onset of the instabilities in different parametric regimes. We address the question of whether the dressing of the fermions into a non-Fermi liquid via interactions with the order parameter field can happen at energies > Λ BCS , Λ CDW .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Valley-Mediated Singlet- and Triplet-Polaron Interactions and Quantum Dynamics in a Doped WSe 2 Monolayer

In doped transition metal dichalcogenides, optically created excitons (bound electron-hole pairs) can strongly interact with a Fermi sea of electrons to form Fermi polaron quasiparticles. When there are two distinct Fermi seas, as is the case in WSe 2 , there are two flavors of lowest-energy (attractive) polarons—singlet and triplet—where the exciton is coupled to the Fermi sea in the same or opposite valley, respectively. Using two-dimensional coherent electronic spectroscopy, we analyze how their quantum decoherence evolves with doping density and determine the condition under which stable Fermi polarons form. Because of the large oscillator strength associated with these resonances, intrinsic quantum dynamics of polarons as well as valley coherence between coupled singlet- and triplet polarons occur on subpicosecond timescales. Surprisingly, we find that a dark-to-bright state conversion process leads to a particularly long-lived singlet polaron valley polarization, persisting up to 200–800 ps. Valley coherence between the singlet- and triplet polaron is correlated with their energy fluctuations. In conclusion, our finding provides valuable guidance for the electrical and optical control of spin and valley indexes in atomically thin semiconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Shot noise in a strange metal

Strange-metal behavior has been observed in materials ranging from high-temperature superconductors to heavy fermion metals. In conventional metals, current is carried by quasiparticles; although it has been suggested that quasiparticles are absent in strange metals, direct experimental evidence is lacking. We measured shot noise to probe the granularity of the current-carrying excitations in nanowires of the heavy fermion strange metal YbRh 2 Si 2 . When compared with conventional metals, shot noise in these nanowires is strongly suppressed. This suppression cannot be attributed to either electron-phonon or electron-electron interactions in a Fermi liquid, which suggests that the current is not carried by well-defined quasiparticles in the strange-metal regime that we probed. As a result, our work sets the stage for similar studies of other strange metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

The Hamiltonian Mechanics of Stochastic Acceleration

We show how to end the physical Langevin equation describing the trajectories of particles undergoing collisionless stochastic acceleration. These stochastic dierential equations retain not only one-, but two-particle statistics, and inherit the Hamiltonian nature of the underlying microscopic equations. This opens the door to using stochastic variational integrators to perform simulations of stochastic interactions such as Fermi acceleration. We illustrate the theory by applying it to two example problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Analysis of torsional spectra of molecules with two internal C3v rotors. II - Far infrared and low frequency Raman spectra of dimethylether isotopes

The torsional far infrared and Raman spectra of gaseous CH3OCH3, CD3OCH3, and CD3OCD3 are presented. They are analyzed using a computer program which is based on the results of an extensive investigation of the isometric groups and of the symmetry groups of the rotation-internal rotation Hamiltonians of a series of semirigid two-top models. Four or more Fourier coefficients of the potential functions in two variables could be determined for each isotope. Strong evidence was found for Fermi-resonance-type interactions with the COC bending mode.

Groner, P.↗
DOE OSTI2017

A tale of two modes: neutrino free-streaming in the early universe

We present updated constraints on the free-streaming nature of cosmological neutrinos from cosmic microwave background (CMB) temperature and polarization power spectra, baryonic acoustic oscillation data, and distance ladder measurements of the Hubble constant. Specifically, we consider a Fermi-like four-fermion interaction between massless neutrinos, characterized by an effective coupling constant G {sub eff}, and resulting in a neutrino opacity τ-dot {sub ν∝} G {sub eff}{sup 2} T {sub ν}{sup 5}. Using a conservative flat prior on the parameter log{sub 10}( G {sub eff} MeV{sup 2}), we find a bimodal posterior distribution with two clearly separated regions of high probability. The first of these modes is consistent with the standard ΛCDM cosmology and corresponds to neutrinos decoupling at redshift z {sub ν,dec} > 1.3×10{sup 5}, that is before the Fourier modes probed by the CMB damping tail enter the causal horizon. The other mode of the posterior, dubbed the 'interacting neutrino mode', corresponds to neutrino decoupling occurring within a narrow redshift window centered around z {sub ν,dec}∼8300. This mode is characterized by a high value of the effective neutrino coupling constant, log{sub 10}( G {sub eff} MeV{sup 2}) = −1.72 ± 0.10 (68% C.L.), together with a lower value of the scalar spectral index and amplitude of fluctuations, and a higher value of the Hubble parameter. Using both a maximum likelihood analysis and the ratio of the two mode's Bayesian evidence, we find the interacting neutrino mode to be statistically disfavored compared to the standard ΛCDM cosmology, and determine this result to be largely driven by the low- l CMB temperature data. Interestingly, the addition of CMB polarization and direct Hubble constant measurements significantly raises the statistical significance of this secondary mode, indicating that new physics in the neutrino sector could help explain the difference between local measurements of H {sub 0}, and those inferred from CMB data. A robust consequence of our results is that neutrinos must be free streaming long before the epoch of matter-radiation equality in order to fit current cosmological data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Fermi LAT Observation of Diffuse Gamma-Rays Produced through Interactions Between Local Interstellar Matter and High Energy Cosmic Rays

Observations by the Large Area Telescope (LAT) on the Fermi mission of diffuse {gamma}-rays in a mid-latitude region in the third quadrant (Galactic longitude l from 200{sup o} to 260{sup o} and latitude |b| from 22{sup o} to 60{sup o}) are reported. The region contains no known large molecular cloud and most of the atomic hydrogen is within 1 kpc of the solar system. The contributions of {gamma}-ray point sources and inverse Compton scattering are estimated and subtracted. The residual {gamma}-ray intensity exhibits a linear correlation with the atomic gas column density in energy from 100 MeV to 10 GeV. The measured integrated {gamma}-ray emissivity is (1.63 {+-} 0.05) x 10{sup -26} photons s{sup -1}sr{sup -1} H-atom{sup -1} and (0.66 {+-} 0.02) x 10{sup -26} photons s{sup -1}sr{sup -1} H-atom{sup -1} above 100 MeV and above 300 MeV, respectively, with an additional systematic error of {approx}10%. The differential emissivity from 100 MeV to 10 GeV agrees with calculations based on cosmic ray spectra consistent with those directly measured, at the 10% level. The results obtained indicate that cosmic ray nuclei spectra within 1 kpc from the solar system in regions studied are close to the local interstellar spectra inferred from direct measurements at the Earth within {approx}10%.

08 HYDROGEN↗
DOE OSTI2015

Stabilization of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} through Si–Ti substitution

We report a route for designing and synthesizing Ti{sub 3}Co{sub 5}B{sub 2}-type compounds in the Ti–Ru–B system by using chemical substitution of Si for Ti to decrease the d-electron-based antibonding interactions that it is argued would otherwise drive an instability in this structure for unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2}. Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} with x=0.75, 1.00 and 1.25 nominal compositions crystalizes in the Ti{sub 3}Co{sub 5}B{sub 2} structure type using arc melting methods, whereas at lower doping levels (x=0.0, 0.25 and 0.50) the more complex Zn{sub 11}Rh{sub 18}B{sub 8}-type structure is stable. Electronic structure calculations show that in hypothetical, unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2} with the Ti{sub 3}Co{sub 5}B{sub 2}-type structure, the antibonding interactions are strong around the Fermi level between the Ti and Ru in the structure that form tetragonal prisms. We propose that weakening these strong interactions through the partial substitution of isovalent Si for Ti leads to the observed stability of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} for x≈1. - Graphical abstract: We present the designing and synthesizing of Ti{sub 3}Co{sub 5}B{sub 2}-type compounds in the Ti–Ru–B system by using chemical substitution of Si for Ti to decrease the d-electron-based antibonding interactions that would otherwise drive an instability in this structure for unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2}. Electronic structure calculations show that in hypothetical, unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2} with the Ti{sub 3}Co{sub 5}B{sub 2}-type structure, the antibonding interactions are strong around the Fermi level between the Ti and Ru in the structure that form tetragonal prisms. We propose that weakening these strong interactions through the partial substitution of isovalent Si for Ti leads to the observed stability of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} for x≈1. - Highlights: • New quaternary phase Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} in Ti{sub 3}Co{sub 5}B{sub 2}-type structure is reported. • Chemical substitution of isovalent Si for Ti is used to stabilize the phase. • Decreasing the d-electron-based antibonding interactions is proved by calculation. • Physical properties of Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} are presented down to 0.4 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

One-dimensional scattering of two-dimensional fermions near quantum criticality

Forward scattering and backscattering play an exceptional role in the physics of two-dimensional interacting fermions. In a Fermi liquid, both give rise to a nonanalytic ω 2 ln (ω) form of the fermionic scattering rate at second order in the interaction. Here we argue that higher powers of ln (ω) show up in the backscattering contribution at higher orders. We show that these terms come from “planar” processes, which are effectively one-dimensional. This is explicitly demonstrated by extending a Fermi liquid to the limit of N >> 1 fermionic flavors, when only planar processes survive. We sum the leading logarithms for the case of a two-dimensional Fermi liquid near a nematic transition, and we obtain an expression for the scattering rate at T = 0 to all orders in the interaction. For a repulsive interaction, the resulting rate is logarithmically suppressed, and the result is valid down to ω = 0. For an attractive interaction, the ground state is an s-wave superconductor with a gap Δ 0 . We show that in this case the scattering rate increases as ω is reduced toward Δ 0 . At ω ≥ Δ 0 , the behavior of the scattering rate is rather unconventional as many pairing channels compete near a nematic critical point, and the s-wave wins only by a narrow margin. We take superconductivity into consideration and obtain the scattering rate also at smaller ω ≃ Δ 0 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Fermi polaron in two dimensions: Importance of the two-body bound state

We investigate a single impurity interacting with a free two-dimensional atomic Fermi gas. The interaction between the impurity and the gas is characterized by an arbitrary attractive short-range potential, which, in two dimensions, always admits a two-particle bound state. We provide analytical expressions for the energy and the effective mass of the dressed impurity by including the two-body bound state, which is crucial for strong interactions, in the integral equation for the effective interaction. Using the same method, we also give the results for the polaron parameters in one and three dimensions and find good agreement with previous results. Thus, our relations can be used as a simple way to estimate the polaron parameters once the two-body bound state of the interaction potential is known.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Atomic Fermi gas in the unitary limit by quantum Monte Carlo methods: Effects of the interaction range

We calculate the ground-state properties of an unpolarized two-component Fermi gas with the aid of the diffusion quantum Monte Carlo (DMC) methods. Using an extrapolation to the zero effective range of the attractive two-particle interaction, we find E/E{sub free} in the unitary limit to be 0.212(2), 0.407(2), 0.409(3), and 0.398(3) for 4, 14, 38, and 66 atoms, respectively. Our calculations indicate that the dependence of the total energy on the effective range of the interaction R{sub eff} is sizable and the extrapolation to R{sub eff}=0 is therefore important for reaching the true unitary limit. To test the quality of nodal surfaces and to estimate the impact of the fixed-node approximation, we perform released-node DMC calculations for 4 and 14 atoms. Analysis of the released-node and the fixed-node results suggests that the main sources of the fixed-node errors are long-range correlations, which are difficult to sample in the released-node approaches due to the fast growth of the bosonic noise. Besides energies, we evaluate the two-body density matrix and the condensate fraction. We find that the condensate fraction for the 66-atom system converges to 0.56(1) after the extrapolation to the zero interaction range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Pseudogap temperature and effects of a harmonic trap in the BCS-BEC crossover regime of an ultracold Fermi gas

We theoretically investigate excitation properties in the pseudogap regime of a trapped Fermi gas. Using a combined T-matrix theory with the local density approximation, we calculate strong-coupling corrections to single-particle local density of states (LDOS), as well as the single-particle local spectral weight (LSW). Starting from the superfluid phase transition temperature T{sub c}, we clarify how the pseudogap structures in these quantities disappear with increasing the temperature. As in the case of a uniform Fermi gas, LDOS and LSW give different pseudogap temperatures T{sup *} and T{sup **} at which the pseudogap structures in these quantities completely disappear. Determining T{sup *} and T{sup **} over the entire BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein condensation) crossover region, we identify the pseudogap regime in the phase diagram with respect to the temperature and the interaction strength. We also show that the so-called back-bending peak recently observed in the photoemission spectra by the JILA group may be explained as an effect of pseudogap phenomenon in the trap center. Since strong pairing fluctuations, spatial inhomogeneity, and finite temperatures are important keys in considering real cold Fermi gases, our results would be useful for clarifying normal-state properties of this strongly interacting Fermi system.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Functional Renormalization Group Study of Superconductivity in Rhombohedral Trilayer Graphene

We employ a functional renormalization group approach to ascertain the pairing mechanism and symmetry of the superconducting phase observed in rhombohedral trilayer graphene. Superconductivity in this system occurs in a regime of carrier density and displacement field with a weakly distorted annular Fermi sea. We find that repulsive Coulomb interactions can induce electron pairing on the Fermi surface by taking advantage of momentum-space structure associated with the finite width of the Fermi sea annulus. Furthermore, the degeneracy between spin-singlet and spin-triplet pairing is lifted by valley-exchange interactions that strengthen under the RG flow and develop nontrivial momentum-space structure. We find that the leading pairing instability is d-wave-like and spin-singlet, and that the theoretical phase diagram versus carrier density and displacement field agrees qualitatively with experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Updated constraints on non-standard neutrino interactions from Planck

We provide updated bounds on non-standard neutrino interactions based on data from the Planck satellite as well as auxiliary cosmological measurements. Two types of models are studied - A Fermi-like 4-point interaction and an interaction mediated by a light pseudoscalar - and we show that these two models are representative of models in which neutrinos either decouple or recouple in the early Universe. Current cosmological data constrain the effective 4-point coupling to be G{sub X} ≤ (0.06 GeV){sup -2}, corresponding to G{sub X} ≤ 2.5 × 10{sup 7} G{sub F}. For non-standard pseudoscalar interactions we set a limit on the diagonal elements of the dimensionless coupling matrix, g{sub ij}, of g{sub ii} ≤ 1.2 × 10{sup -7}. For the off-diagonal elements which induce neutrino decay the bound is significantly stronger, corresponding to g{sub ij} ≤ 2.3 × 10{sup -11}(m/0.05 eV){sup -2}, or a lifetime constraint of τ ≥ 1.2 × 10{sup 9} s (m/0.05 eV){sup 3} . This is currently the strongest known bound on this particular type of neutrino decay. We finally note that extremely strong neutrino self-interactions which completely suppress anisotropic stress over all of cosmic history are very highly disfavored by current data Δ χ{sup 2} ∼ 10{sup 4})

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Barrier height formation in organic blends/metal interfaces: Case of tetrathiafulvalene-tetracyanoquinodimethane/Au(111)

The interface between the tetrathiafulvalene/tetracyanoquinodimethane (TTF-TCNQ) organic blend and the Au(111) metal surface is analyzed by Density Functional Theory calculations, including the effect of the charging energies on the molecule transport gaps. Given the strong donor and acceptor characters of the TTF and TCNQ molecules, respectively, there is a strong intermolecular interaction, with a relatively high charge transfer between the two organic materials, and between the organic layer and the metal surface. We find that the TCNQ LUMO peak is very close to the Fermi level; due to the interaction with the metal surface, the organic molecular levels are broadened, creating an important induced density of interface states (IDIS). We show that the interface energy level alignment is controlled by the charge transfer between TTF, TCNQ, and Au, and by the molecular dipoles created in the molecules because of their deformations when adsorbed on Au(111). A generalization of the Unified-IDIS model, to explain how the interface energy levels alignment is achieved for the case of this blended donor/acceptor organic layer, is presented by introducing matrix equations associated with the Charge Neutrality Levels of both organic materials and with their intermixed screening properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Non-adiabatic processes in the charge transfer reaction of O{sub 2} molecules with potassium surfaces without dissociation

Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K{sub 2}O{sub 2} is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

FERMI-LAT OBSERVATIONS OF SUPERNOVA REMNANT G5.7–0.1, BELIEVED TO BE INTERACTING WITH MOLECULAR CLOUDS

This work reports on the detection of γ-ray emission coincident with the supernova remnant (SNR) G5.7–0.1 using data collected by the Large Area Telescope on board the Fermi Gamma-ray Space Telescope. The SNR is believed to be interacting with molecular clouds, based on 1720 MHz hydroxyl (OH) maser emission observations in its direction. This interaction is expected to provide targets for the production of γ-ray emission from π{sup 0}-decay. A γ-ray source was observed in the direction of SNR G5.7–0.1, positioned near the bright γ-ray source SNR W28. We model the emission from radio to γ-ray energies using a one-zone model. Following consideration of both π{sup 0}-decay and leptonically dominated emission scenarios for the MeV–TeV source, we conclude that a considerable component of the γ-ray emission must originate from the π{sup 0}-decay channel. Finally, constraints were placed on the reported ambiguity of the SNR distance through X-ray column density measurements made using XMM-Newton observations. We conclude G5.7–0.1 is a significant γ-ray source positioned at a distance of ∼3 kpc with luminosity in the 0.1–100 GeV range of L{sub γ} ≈ 7.4 × 10{sup 34} erg s{sup −1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Nb{sub 2}OsB{sub 2}, with a new twofold superstructure of the U{sub 3}Si{sub 2} type: Synthesis, crystal chemistry and chemical bonding

The new ternary metal-rich boride, Nb{sub 2}OsB{sub 2}, was synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere. The compound was characterized from single-crystal X-ray data and EDX measurements. It crystallizes as a new superstructure (space group P4/mnc, no. 128) of the tetragonal U{sub 3}Si{sub 2}-structure type with lattice parameters a=5.922(1) Å and c=6.879(2) Å. All of the B atoms are involved in B{sub 2} dumbbells with B–B distances of 1.89(4) Å. Structure relaxation using VASP (Vienna ab intio Simulation Package) has confirmed the space group and the lattice parameters. According to electronic structure calculations (TB–LMTO–ASA), the homoatomic B–B interactions are optimized and very strong, but relatively strong heteroatomic Os–B, Nb–B and Nb–Os bonds are also found: These interactions, which together build a three-dimensional network, are mainly responsible for the structural stability of this new phase. The density of state at the Fermi level predicts metallic behavior, as expected, from this metal-rich boride. - Graphical abstract: Nb{sub 2}OsB{sub 2} is, to the best of our knowledge, the first fully characterized phase in the ternary Nb–Os–B system. It crystallizes (space group P4/mnc, 128) with a new twofold superstructure of the U{sub 3}Si{sub 2} structure type (space group P4/mbm, 127), and is therefore the first boride in this structure family crystallizing with a superstructure of the U{sub 3}Si{sub 2} structure type. We show that the distortions leading to this superstructure occurs mainly in the Nb-layer, which tries to accommodate the large osmium atoms. The consequence of this puckering is the building osmium dumbbells instead of chains along [001]. - Highlights: • First compound in the Nb–Os–B system. • New twofold superstructure of U{sub 3}Si{sub 2} structure type. • Puckering of Nb-layer responsible for superstructure occurrence. • Chemical bonding studied by density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗