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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Resurgence and holomorphy: From weak to strong coupling

We analyze the resurgence properties of finite-dimensional exponential integrals which are prototypes for partition functions in quantum field theories. In these simple examples, we demonstrate that perturbation theory, even at arbitrarily weak coupling, fails as the argument of the coupling constant is varied. It is well-known that perturbation theory also fails at stronger coupling. We show that these two failures are actually intimately related. The formalism of resurgent transseries, which takes into account global analytic continuation properties, fixes both problems and provides an arbitrarily accurate description of exact result for any value of coupling. This means that strong coupling results can be deduced by using merely weak coupling data. Finally, we give another perspective on resurgence theory by showing that the monodromy properties of the weak coupling results are in precise agreement with the monodromy properties of the strong-coupling expansions, obtained using analysis of the holomorphy structure of Picard-Fuchs equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ultrafast infrared transient absorption spectroscopy of gas-phase Ni(CO) 4 photodissociation at 261 nm

Here, we employ ultrafast mid-infrared transient absorption spectroscopy to probe the rapid loss of carbonyl ligands from gas-phase nickel tetracarbonyl following ultraviolet photoexcitation at 261 nm. Here, nickel tetracarbonyl undergoes prompt dissociation to produce nickel tricarbonyl in a singlet excited state; this electronically excited tricarbonyl loses another CO group over tens of picoseconds. Our results also suggest the presence of a parallel, concerted dissociation mechanism to produce nickel dicarbonyl in a triplet excited state, which likely dissociates to nickel monocarbonyl. Mechanisms for the formation of these photoproducts in multiple electronic excited states are theoretically predicted with one-dimensional cuts through the potential energy surfaces and computation of spin–orbit coupling constants using equation of motion coupled cluster methods (EOM-CC) and coupled cluster theory with single and double excitations (CCSD). Bond dissociation energies are calculated with CCSD, and anharmonic frequencies of ground and excited state species are computed using density functional theory (DFT) and time-dependent density functional theory (TD-DFT).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Electron-phonon coupling in superconducting β-PdBi{sub 2}

We have studied the electronic, transport and vibrational properties of low temperature superconductor β-PdBi{sub 2}. The band manifold clearly demonstrates the 2D-layered structure with multiple gaps. The intersection of bands at E{sub F} in the Γ-P, Γ-N directions gives rise to complicated Fermi surface topology, which contains quite complicated multiple connected sheets, as well as hole and electron-like pockets. From the low temperature specific heat, we have estimated the electron-phonon coupling constant λ{sub el-ph} which has a very high value of 3.66. The vibrational properties clearly illustrates that the strong coupling makes the lattice unstable. The calculated properties confirm that β-PdBi{sub 2} is an intermediate coupling superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effects of Energy Dissipation on the Parametric Excitation of a Coupled Qubit–Cavity System

We consider a parametrically driven system of a qubit coupled to a cavity taking into account different channels of energy dissipation. We focus on the periodic modulation of a single parameter of this hybrid system, which is the coupling constant between the two subsystems. Such a modulation is possible within the superconducting realization of qubit–cavity coupled systems, characterized by an outstanding degree of tunability and flexibility. Our major result is that energy dissipation in the cavity can enhance population of the excited state of the qubit in the steady state, while energy dissipation in the qubit subsystem can enhance the number of photons generated from vacuum. We find optimal parameters for the realization of such dissipation-induced amplification of quantum effects. Our results might be of importance for the full control of quantum states of coupled systems as well as for the storage and engineering of quantum states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A Comprehensive Investigation of Superconductor KBi{sub 2} via First-Principles Calculations

The electronic properties, lattice vibration, and electron-phonon interaction properties of KBi{sub 2} are studied systematically by first-principles calculations. The agreement of calculated Debye temperature, electron-phonon coupling constant, and transition temperature with latest experiments validates the reliability of our work. Our results provide evidence that the superconducting transition of KBi{sub 2} originates from isotropical coupling of all phonon modes according to isotropical Migdal-Eliashberg theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effect of epitaxial strain on small-polaron hopping conduction in Pr{sub 0.7}(Ca{sub 0.6}Sr{sub 0.4}){sub 0.3}MnO{sub 3} thin films

We investigated the epitaxial strain effect on the small-polaron hopping conduction properties in Pr{sub 0.7}(Ca,Sr){sub 0.3}MnO{sub 3} (PCSMO) films. An increase in the carrier localization, as evidenced by the enhancement of the small-polaron activation energy E{sub A} in the high temperature region, was obtained by increasing the epitaxial lattice strain in either the tensile or compressive strained film. Furthermore, it was found that the magnitude of E{sub A}, and thus the carrier localization, strongly depends on the sign of the lattice strain, which explains the diverse percolative transport behaviors in PCSMO films with different types of strains. Meanwhile, similar dependencies on the strain of the films were also obtained for the electron-phonon interaction, characterized by the calculated small-polaron coupling constant. Our results reveal that the type of lattice strain plays a crucial role in determining the degree of localization of charge carriers and the electron-phonon coupling strength, which is important for understanding the lattice strain-induced various novel properties related to phase separation and percolation behaviors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene

Singlet fission proceeds rapidly and with high quantum efficiency in both crystalline tetracene and pentacene, which poses a conundrum given that the process in tetracene is disfavored by the electronic energetics. In this work, we use an ab initio exciton model to compute nonadiabatic couplings in the unit cell of tetracene in order to identify the modes that promote this process. Four intramolecular modes in the range of 1400–1600 cm –1 , which are nearly resonant with the single-exciton/multiexciton energy gap, appear to play a key role. Ab initio calculations of the electron/phonon coupling constants for these modes reveal that they are almost entirely of “Holstein” type, modulating the site energies rather than the intersite couplings. The constants are used to parametrize a vibronic Hamiltonian, simulations with which suggest a vibronically coherent singlet fission mechanism that proceeds spontaneously despite unfavorable electronic energetics. In the absence of vibronic coupling, there is no significant fission according to our model.

14 SOLAR ENERGY↗
DOE OSTI2013

Parametrization of light clusters within relativistic mean field models

Light clusters are included in the equation of state of nuclearmatter within the relativistic mean field theory. The effect of the cluster-meson coupling constants on the dissolution density is discussed. Theoretical and experimental constraints are used to fix the cluster-meson couplings at T Almost-Equal-To 5 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Inflation in general covariant theory of gravity

In this paper, we study inflation in the framework of the nonrelativistic general covariant theory of the Hořava-Lifshitz gravity with the projectability condition and an arbitrary coupling constant λ. We find that the Friedmann-Robterson-Walker (FRW) universe is necessarily flat in such a setup. We work out explicitly the linear perturbations of the flat FRW universe without specifying to a particular gauge, and find that the perturbations are different from those obtained in general relativity, because of the presence of the high-order spatial derivative terms. Applying the general formulas to a single scalar field, we show that in the sub-horizon regions, the metric and scalar field are tightly coupled and have the same oscillating frequencies. In the super-horizon regions, the perturbations become adiabatic, and the comoving curvature perturbation is constant. We also calculate the power spectra and indices of both the scalar and tensor perturbations, and express them explicitly in terms of the slow roll parameters and the coupling constants of the high-order spatial derivative terms. In particular, we find that the perturbations, of both scalar and tensor, are almost scale-invariant, and, with some reasonable assumptions on the coupling coefficients, the spectrum index of the tensor perturbation is the same as that given in the minimum scenario in general relativity (GR), whereas the index for scalar perturbation in general depends on λ and is different from the standard GR value. The ratio of the scalar and tensor power spectra depends on the high-order spatial derivative terms, and can be different from that of GR significantly.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The influence of thermal photons on the dynamics of a quantum optomechanics system with quadratic cavity–membrane couplings

In this paper we investigate the influence of thermal photons as an inevitable source of damping on the dynamics of a quantum optomechanics system consisting of a suspended membrane in an optical cavity. The membrane is putted inside the cavity, in such a way that it plays the role of a movable mirror for each subcavity. In this respect, we investigate about the tunnelling of the photons between the two subcavities as well as the dynamics of membrane position in the mean-field approximation. In particular, the influences of thermal photons (in the presence of ”photon” and ”phonon” loss rates) on the time evolution of the above-mentioned quantities are evaluated and studied through which it is observed that the thermal photons considerably affects on the population inversion of photons number whenever the square coupling constant of cavity–membrane is weak. Inversely, the influence of thermal photons on the position of membrane is more visible for strong square coupling. Furthermore, it is demonstrated that generally the discussed properties can be appropriately adjusted by tuning the involved damping parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1995

Boson mapping techniques applied to constant gauge fields in QCD

Pairs of coordinates and derivatives of the constant gluon modes are mapped to new gluon-pair fields and their derivatives. Applying this mapping to the Hamiltonian of constant gluon fields results for large coupling constants into an effective Hamiltonian which separates into one describing a scalar field and another one for a field with spin two. The ground state is dominated by pairs of gluons coupled to color and spin zero with slight admixtures of color zero and spin two pairs. As color group we used SU(2).

Hess, Peter Otto↗
DOE OSTI2016

New results on proton structure from HERA

In this paper we show the new set of parton distribution functions (PDFs) determined using new combined H1 and ZEUS data on neutral and charged current inclusive cross sections from all running periods (1994-2007). The combined data are used as the sole input to NLO and NNLO QCD analyses. The new set of PDFs is termed as HERAPDF2.0. Also we show an extended QCD analysis at NLO including the combined data on jet and charm production which enables the simultaneous determination of PDFs (HERAPDF2.0Jets) and the strong coupling constant from HERA data alone.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Full differentiation and assignment of boron species in the electrolytes Li{sub 2}B{sub 6}O{sub 9}F{sub 2} and Li{sub 2}B{sub 3}O{sub 4}F{sub 3} by solid-state {sup 11}B NMR spectroscopy

The syntheses of two new fluorooxoborates, Li{sub 2}B{sub 3}O{sub 4}F{sub 3} and Li{sub 2}B{sub 6}O{sub 9}F{sub 2}, which possess considerable ion conductivity at higher temperatures, have been reported recently. Here, we describe the characterisation of these compounds by solid-state {sup 11}B NMR spectroscopy. The complex central-transition MAS spectra, resulting from overlap of sub-spectra contributed by the individual boron species in the crystal structures, could be clearly separated by acquisition and analysis of 3QMAS spectra. By numerical fit of these sub-spectra, the isotropic chemical shift {delta}{sub iso}, the quadrupolar coupling constant {chi}, and the asymmetry {eta} were determined. Using known relations between boron coordination and chemical shift as well as quadrupolar coupling, the individual {sup 11}B NMR resonances have been ascribed to boron species in tetrahedral or trigonal environment. To remove remaining assignment ambiguities, the response of the {sup 11}B resonances to {sup 19}F decoupling was qualitatively analysed. Thus, by using the combined information conveyed by chemical shift, quadrupolar and dipolar interaction, a complete assignment of the complex {sup 11}B line shapes exhibited by the fluorooxoborates has been achieved. - Graphical abstract: Structure and solid-state {sup 11}B NMR spectrum of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Characterisation of title compounds by solid-state {sup 11}B NMR spectroscopy. Black-Right-Pointing-Pointer Sub-spectra of boron species separated by evaluation of 3QMAS spectra. Black-Right-Pointing-Pointer Isotropic chemical shift and quadrupolar interaction parameters determined. Black-Right-Pointing-Pointer Full boron assignment based on NMR parameters and response to {sup 19}F decoupling.

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

Electronic Raman scattering and the renormalization of the electron spectrum in LuB{sub 12}

The electronic Raman scattering in LuB{sub 12} single crystals of various isotope compositions is studied in the temperature range 10–650 K. The shape and the energy position of spectral maxima depend on the direction and magnitude of a probe wavevector, the temperature, and the excitation symmetry and remain unchanged when the isotope composition changes. Experimental spectra are compared with the spectra simulated on the basis of a calculated electronic structure. The experimental results are successfully described when the electron spectrum renormalization effects caused by electron–phonon coupling are taken into account. This confirms that the origin of the observed spectra in LuB{sub 12} is due to Raman scattering by electrons. A comparison of the calculated and experimental data makes it possible to determine the coupling constant (λ{sub ep} = 0.32) that gives the correct superconducting transition temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

High-T{sub c} Hydrides: Interplay of Optical and Acoustic Modes and Comments Regarding the Upper Limit of T{sub c}

The phonon spectrum of many superconducting compounds and, especially, high-T{sub c} hydrides, is broad and rather complicated, because of the presence of high-frequency optical modes. In order to analyze an interplay of optical and acoustic phonon branches, it is convenient to introduce two coupling constants, λ{sub opt.} and λ{sub ac.}, along with characteristic frequencies. The correlation between the value of T{sub c} and this interplay is demonstrated for the family of tantal hydrides (TaH{sub 2}/TaH{sub 4}/TaH{sub 6}). The problem of the upper limit of T{sub c} is discussed. The phenomenon of room temperature superconductivity can be provided by the electron-phonon interaction and is described by the strong coupling theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Nuclear matrix elements for double-β decay

Recent progress in nuclear-structure theory has been dramatic. I describe applications in progress of ab inito calculations to double-beta decay, and discuss the recent and future application of generator-coordinate methods to the same problem. I also discuss the old and vexing problem of the renormalization of the weak nuclear axial-vector coupling constant “in medium” and plans to resolve it.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Superconducting Properties of LaSn{sub 3} Under Positive Hydrostatic Pressure

Superconducting properties of LaSn{sub 3} were calculated at ambient and applied positive hydrostatic pressure. The lattice structure of LaSn{sub 3} remained stable at ambient and all applied positive hydrostatic pressures due to the positive frequency of phonon dispersion plots for all modes of vibrations. The electron-phonon coupling constant (λ{sub ep}) and superconducting transition temperature (T{sub c}) show an almost linear decrease with positive hydrostatic pressure. The majority of electron‑electron interaction is mediated by acoustic modes of vibration in comparison to optical modes of vibrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗