Search NASA⌕ Search

SEARCH · Search NASA

Results for “FERMI INTERACTIONS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Constraining gamma-ray emission from luminous infrared galaxies with Fermi-LAT; tentative detection of ARP 220

Star-forming galaxies produce gamma-rays primarily via pion production, resulting from inelastic collisions between cosmic-ray protons and the interstellar medium (ISM). The dense ISM and high star formation rates of luminous and ultra-luminous infrared galaxies (LIRGs and ULIRGs) imply that they should be strong gamma-ray emitters, but so far only two LIRGs have been detected. Theoretical models for their emission depend on the unknown fraction of cosmic-ray protons that escape these galaxies before interacting. We analyze Fermi-LAT data for 82 of the brightest Infrared Astronomical Satellite LIRGs and ULIRGs. We examine each system individually and carry out a stacking analysis to constrain their gamma-ray fluxes. We report the detection of the nearest ULIRG Arp 220 (∼4.6σ). We observe a gamma-ray flux (0.8–100 GeV) of 2.4 × 10{sup −10} phot cm{sup −2} s{sup −1} with a photon index of 2.23 (8.2 × 10{sup 41} erg s{sup −1} at 77 Mpc). We also derive upper limits (ULs) for the stacked LIRGs and ULIRGs. The gamma-ray luminosity of Arp 220 and the stacked ULs agree with calorimetric predictions for dense star-forming galaxies. With the detection of Arp 220, we extend the gamma-ray–IR luminosity correlation to the high-luminosity regime with logL{sub 0.1−100GeV}=1.25×logL{sub 8−1000μm}+26.7 as well as the gamma-ray–radio continuum luminosity correlation with logL{sub 0.1−100GeV}=1.22×logL{sub 1.4GHz}+13.3. The current survey of Fermi-LAT is on the verge of detecting more LIRGs/ULIRGs in the local universe, and we expect even more detections with deeper Fermi-LAT observations or the next generation of gamma-ray detectors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Trimers, Molecules, and Polarons in Mass-Imbalanced Atomic Fermi Gases

We consider the ground state of a single ''spin-down'' impurity atom interacting attractively with a ''spin-up'' atomic Fermi gas. By constructing variational wave functions for polarons, molecules, and trimers, we perform a detailed study of the transitions between these dressed bound states as a function of mass ratio r=m{sub {up_arrow}}/m{sub {down_arrow}} and interaction strength. Crucially, we find that the presence of a Fermi sea enhances the stability of the p-wave trimer, which can be viewed as a Fulde-Ferrell-Larkin-Ovchinnikov molecule that has bound an additional majority atom. For sufficiently large r, we find that the transitions lie outside the region of phase separation of the imbalanced Fermi gas and should thus be observable in experiment, unlike the well-studied equal-mass case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Dynamical properties of a trapped dipolar Fermi gas at finite temperature

We investigate the dynamical properties of a trapped finite-temperature normal Fermi gas with dipole-dipole interaction. For the free-expansion dynamics, we show that the expanded gas always becomes stretched along the direction of the dipole moment. In addition, we present the temperature and interaction dependences of the asymptotic aspect ratio. We further study the collapse dynamics of the system by suddenly increasing the dipolar interaction strength. We show that, in contrast to the anisotropic collapse of a dipolar Bose-Einstein condensate, a dipolar Fermi gas always collapses isotropically when the system becomes globally unstable. We also explore the interaction and temperature dependences for the frequencies of the low-lying collective excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Elliptically polarized electromagnetic waves in a magnetized quantum electron-positron plasma with effects of exchange-correlation

The dispersion properties of elliptically polarized electromagnetic waves in a magnetized electron-positron-pair (EP-pair) plasma are studied with the effects of particle dispersion associated with the Bohm potential, the Fermi degenerate pressure, and the exchange-correlation force. Two possible modes of the extraordinary or X wave, modified by these quantum effects, are identified and their propagation characteristics are investigated numerically. It is shown that the upper-hybrid frequency and the cutoff and resonance frequencies are no longer constants but are dispersive due to these quantum effects. It is found that the particle dispersion and the exchange-correlation force can have different dominating roles on each other depending on whether the X waves are of short or long wavelengths (in comparison with the Fermi Debye length). The present investigation should be useful for understanding the collective behaviors of EP plasma oscillations and the propagation of extraordinary waves in magnetized dense EP-pair plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Expansion Dynamics in the One-Dimensional Fermi-Hubbard Model

Expansion dynamics of interacting fermions in a lattice is simulated within the one-dimensional (1D) Hubbard model, using the essentially exact time-evolving block decimation (TEBD) method. In particular, the expansion of an initial band-insulator state is considered. We analyze the simulation results based on the dynamics of a two-site two-particle system, the so-called Hubbard dimer. Our findings describe essential features of a recent experiment on the expansion of a Fermi gas in a two-dimensional lattice. We show that the Hubbard-dimer dynamics, combined with a two-fluid model for the paired and nonpaired components of the gas, gives an efficient description of the full dynamics. This should be useful for describing dynamical phenomena of strongly interacting Fermions in a lattice in general.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Self-interaction correction in water–ion clusters

We study the importance of self-interaction errors in density functional approximations for various water–ion clusters. We have employed the Fermi-Löwdin orbital self-interaction correction (FLOSIC) method in conjunction with LSDA, PBE, and SCAN to describe binding energies of hydrogen-bonded water–ion clusters, i.e., water–hydronium, water– hydroxide, water–halide, as well as non-hydrogen-bonded water–alkali clusters. In the hydrogen-bonded water–ion clusters, the building blocks are linked by hydrogen atoms, although the links are much stronger and longer-ranged than the normal hydrogen bonds between water molecules, because the monopole on the ion interacts with both permanent and induced dipoles on the water molecules. We find that self-interaction errors overbind the hydrogen-bonded water– ion clusters and that FLOSIC reduces the error and brings the binding energies into closer agreement with higher–level calculations. Here, the non-hydrogen-bonded water–alkali clusters are not significantly affected by self-interaction errors. Self-interaction corrected PBE predicts the lowest mean unsigned error in binding energies (≤ 50 meV/H 2 O) for hydrogen-bonded water–ion clusters. Self-interaction errors are also largely dependent on the cluster size, and FLOSIC does not accurately capture the subtle variation in all clusters, indicating the need for further refinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Spin-crossover complexes: Self-interaction correction vs density correction

Complexes containing a transition metal atom with a 3d 4 –3d 7 electron configuration typically have two low-lying, high-spin (HS) and low-spin (LS) states. The adiabatic energy difference between these states, known as the spin-crossover energy, is small enough to pose a challenge even for electronic structure methods that are well known for their accuracy and reliability. In this work, we analyze the quality of electronic structure approximations for spin-crossover energies of iron complexes with four different ligands by comparing energies from self-consistent and post-self-consistent calculations for methods based on the random phase approximation and the Fermi–Löwdin self-interaction correction. Considering that Hartree–Fock densities were found by Song et al., J. Chem. Theory Comput. 14, 2304 (2018), to eliminate the density error to a large extent, and that the Hartree–Fock method and the Perdew–Zunger-type self-interaction correction share some physics, we compare the densities obtained with these methods to learn their resemblance. Here, we find that evaluating non-empirical exchange-correlation energy functionals on the corresponding self-interaction-corrected densities can mitigate the strong density errors and improves the accuracy of the adiabatic energy differences between HS and LS states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Interplay Between Kondo and Magnetic Interactions in Pr 0.75 Gd 0.25 ScGeH

Combined experimental and density functional theory (DFT) study of Pr 0.75 Gd 0.25 ScGe and its hydride (Pr 0.75 Gd 0.25 ScGeH) reveals intricacies of composition-structure-property relationships in those distinctly layered compounds. Hydrogenation of the intermetallic parent, crystalizing in a tetragonal CeScSi-type structure, leads to an anisotropic volume expansion, that is, a(=b) lattice parameter decreases while the lattice expands along the c direction, yielding a net increase of cell volume. DFT calculations predict an antiparallel coupling of localized Gd and Pr magnetic moments in both materials at the ground state. While experiments corroborate this for the parent compound, there is no conclusive experimental proof for the hydride, where Pr moments do not order down to 3 K. DFT results also reveal that rare-earth – hydrogen interactions reduce spin-polarization of the Pr and Gd 5d and Sc 3d states at the Fermi energy, disrupt indirect exchange interactions mediated by conduction electrons, dramatically reduce the magnetic ordering temperature, and open a pseudo-gap in the majority-spin channel. Here, both experiments and theory show evidence of Kondo-like behavior in the hydride in the absence of an applied magnetic field, whereas increasing the field promotes magnetic ordering and suppresses Kondo-like behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structural, electronic and magnetic properties of carbon doped boron nitride nanowire: Ab initio study

Using spin-polarized density functional theory calculations, we demonstrated that carbon doped boron nitride nanowire (C-doped BNNW) has diverse electronic and magnetic properties depending on position of carbon atoms and their percentages. Our results show that only when one carbon atom is situated on the edge of the nanowire, C-doped BNNW is transformed into half-metal. The calculated electronic structure of the C-doped BNNW suggests that doping carbon can induce localized edge states around the Fermi level, and the interaction among localized edge states leads to semiconductor to half-metal transition. Overall, the bond reconstruction causes of appearance of different electronic behavior such as semiconducting, half-metallicity, nonmagnetic metallic, and ferromagnetic metallic characters. The formation energy of the system shows that when a C atom is doped on surface boron site, system is more stable than the other positions of carbon impurity. Our calculations show that C-doped BNNW may offer unique opportunities for developing nanoscale spintronic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Theory of thermal conductivity in the disordered electron liquid

We study thermal conductivity in the disordered two-dimensional electron liquid in the presence of long-range Coulomb interactions. We describe a microscopic analysis of the problem using the partition function defined on the Keldysh contour as a starting point. We extend the renormalization group (RG) analysis developed for thermal transport in the disordered Fermi liquid and include scattering processes induced by the long-range Coulomb interaction in the sub-temperature energy range. For the thermal conductivity, unlike for the electrical conductivity, these scattering processes yield a logarithmic correction that may compete with the RG corrections. The interest in this correction arises from the fact that it violates the Wiedemann–Franz law. We checked that the sub-temperature correction to the thermal conductivity is not modified either by the inclusion of Fermi liquid interaction amplitudes or as a result of the RG flow. We therefore expect that the answer obtained for this correction is final. We use the theory to describe thermal transport on the metallic side of the metal–insulator transition in Si MOSFETs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

High-Resolution Infrared Spectra of Spiropentane, C5H8

Infrared spectra of spiropentane (C{sub 5}H{sub 8}) have been recorded at a resolution (0.002 cm{sup -1}) sufficient to resolve for the first time individual rovibrational lines. This initial report presents the ground state constants for this molecule determined from the detailed analysis of the {nu}16 (b2) parallel band at 993 cm{sup -1}. In addition, the determination included more than 2000 ground state combination-differences deduced from partial analyses of four other infrared-allowed bands, the {nu}24(e) perpendicular band at 780 cm{sup -1} and three (b2) parallel bands at 1540 cm{sup -1} ({nu}14), 1568 cm{sup -1} ({nu}5+{nu}16), and 2098 cm{sup -1} ({nu}5+{nu}14). In each of the latter four cases, the spectra show complications; in the case of {nu}24, these complications are due to rotational l-type doublings, and in the case of the parallel bands, the spectral complexities are due to Fermi resonance and Coriolis interactions of the upper states with nearby levels. The unraveling of these is underway but the assignment of many of these transitions permit the confident use of the ground state differences in determining the following constants for the ground state (in units of cm{sup -1}): B0 = 0.1394736(2), DJ = 2.458(1) x 10{sup -8}, DJK = 8.28(3) x 10{sup -8}. For the unperturbed {nu}16 fundamental, more than 3000 transitions were fit and the band origin was found to be at 992.53793(2) cm{sup -1}. The numbers in parentheses are the uncertainties (two standard deviations) in the value of the last digit of the constants. Surprisingly, the very accurate B0 value measured here is lower than the value (0.1418 cm{sup -1}) calculated from an electron diffraction structure, instead of being higher, as expected. Where possible, the rovibrational results are compared with those computed at the anharmonic level using the B3LYP density functional method with a cc-pVTZ basis set. These too suggest that the electron diffraction results are in question.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Hyperfine interactions of constituent quarks and the mass spectrum of tetraquark states

The simplest form of the Hyperfine Interaction (HFI) of quarks is a color-spin interaction, sometimes called Fermi-Breit (FB) HFI. For conventional hadrons, this HFI for quark-antiquark (qq) pairs is twice as strong as the same HFI for quark-quark (qq or qq) pairs, but this difference is absorbed into the different HFI constants for mesons and baryons, which are free parameters of the fits. For tetraquarks, however, qqHFI is only half as strong as the qq/qqHFI and both kinds of pairs coexist within the same state. Hence it is worth investigating a model with different fit constants for qq and qq/q pairs. We have investigated 3 models of spin-color HFI for light scalar tetraquarks: 2 models with single constants for both kinds of pairs and one model with different fit constants. The light scalar nonet is chosen because of a lack of other experimentally observed multiplets interpretable as pure exotic states. Since even the nonet contains only 3 particles with distinct masses (i. e. 3 fit points), the constituent quark masses had to be taken from conventional hadron fits obtained in our previous work. The two-constant model did not prove to be a viable alternative to the one-constant models. © 2019 Author(s).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Self-interaction error overbinds water clusters but cancels in structural energy differences

Here, we gauge the importance of self-interaction errors in density functional approximations (DFAs) for the case of water clusters. To this end, we used the Fermi–Löwdin orbital self-interaction correction method (FLOSIC) to calculate the binding energy of clusters of up to eight water molecules. Three representative DFAs of the local, generalized gradient, and metageneralized gradient families [i.e., local density approximation (LDA), Perdew–Burke–Ernzerhof (PBE), and strongly constrained and appropriately normed (SCAN)] were used. We find that the overbinding of the water clusters in these approximations is not a density-driven error. We show that, while removing self-interaction error does not alter the energetic ordering of the different water isomers with respect to the uncorrected DFAs, the resulting binding energies are corrected toward accurate reference values from higher-level calculations. In particular, self-interaction–corrected SCAN not only retains the correct energetic ordering for water hexamers but also reduces the mean error in the hexamer binding energies to less than 14 meV/ H 2 O from about 42 meV/ H 2 O for SCAN. By decomposing the total binding energy into many-body components, we find that large errors in the two-body interaction in SCAN are significantly reduced by self-interaction corrections. Higher-order many-body errors are small in both SCAN and self-interaction–corrected SCAN. These findings suggest that orbital-by-orbital removal of self-interaction combined with a proper DFA can lead to improved descriptions of water complexes.

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

Theory of Exciton Energy Transfer in Carbon Nanotube Composites

Here, we compute the exciton transfer (ET) rate between semiconducting single-wall carbon nanotubes (SWNTs). We show that the main reasons for the wide range of measured ET rates reported in the literature are (1) exciton confinement in local quantum wells stemming from disorder in the environment and (2) exciton thermalization between dark and bright states due to intratube scattering. The SWNT excitonic states are calculated by solving the Bethe–Salpeter equation using tight-binding basis functions. The ET rates due to intertube Coulomb interaction are computed via Fermi’s golden rule. In pristine samples, the ET rate between parallel (bundled) SWNTs of similar chirality is very high (~10 14 s –1 ), while the ET rate for dissimilar or nonparallel tubes is considerably lower (~10 12 s –1 ). Exciton confinement reduces the ET rate between same-chirality parallel SWNTs by 2 orders of magnitude but has little effect otherwise. Consequently, the ET rate in most measurements will be on the order of 10 12 s –1 , regardless of the tube relative orientation or chirality. Exciton thermalization between bright and dark states further reduces the ET rate to ~10 11 s –1 . The ET rate also increases with increasing temperature and decreases with increasing dielectric constant of the surrounding medium.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2011

Cold Hybrid Star Properties

Properties of neutron stars with quark core are investigated. The equation of state of hadronic matter is calculated using Myers and Swiatecki two nucleon interaction within Thomas-Fermi semiclassical approximation (TF). For quark matter we employ The MIT bag model with constant and density dependent bag parameter. With use of the obtained equation of states we have calculated mass-radius relation of such hybrid stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Symmetry tests in photo-pion production

Small angle electron scattering with intense electron beams opens up the possibility of performing almost real photon induced reactions with thin, polarized hydrogen and few body targets, allowing for the detection of low energy charged particles. This promises to be much more effective than conventional photon tagging techniques. For photo-pion reactions some fundamental new possibilities include: tests of charge symmetry in the N-N system by measurement of the neutron-neutron scattering length a{sub nn} in the and ggrD → π{sup +}nn reaction; tests of isospin breaking due to the mass difference of the up and down quarks; measurements with polarized targets are sensitive to πN phase shifts and will test the validity of the Fermi-Watson (final state interaction) theorem. All of these experiments will test the accuracy and energy region of validity of chiral effective theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Gauge invariance of light-matter interactions in first-principle tight-binding models

In this work, we study the different ways of introducing light-matter interaction in first-principle tight-binding (TB) models. The standard way of describing optical properties is the velocity gauge, defined by linear coupling to the vector potential. In finite systems a transformation to represent the electromagnetic radiation by the electric field instead is possible, albeit subtleties arise in periodic systems. The resulting dipole gauge is a multi-orbital generalization of the Peierls substitution. In this work we investigate the accuracy for both pathways, with particular emphasis on gauge invariance, for TB models constructed from maximally localized Wannier functions. This approach accurately captures the light-matter interaction close to the Fermi level. Focusing on paradigmatic two-dimensional materials, we construct first-principle models and calculate the response to electromagnetic fields in linear response and for strong excitations. Benchmarks against fully converged first-principle calculations allow for ascertaining the accuracy of the TB models. We find that the dipole gauge provides a more accurate description than the velocity gauge in all cases. The main deficiency of the velocity gauge is an imperfect cancellation of paramagnetic and diamagnetic current. Formulating a corresponding sum rule however provides a way to explicitly enforce this cancellation. This procedure corrects the TB models in the velocity gauge, yielding excellent agreement with dipole gauge and thus restoring gauge invariance.

2-dimensional systems↗