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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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DOE OSTI2013

Towards a double field theory on para-Hermitian manifolds

In a previous paper, we have shown that the geometry of double field theory has a natural interpretation on flat para-Kähler manifolds. In this paper, we show that the same geometric constructions can be made on any para-Hermitian manifold. The field is interpreted as a compatible (pseudo-)Riemannian metric. The tangent bundle of the manifold has a natural, metric-compatible bracket that extends the C-bracket of double field theory. In the para-Kähler case, this bracket is equal to the sum of the Courant brackets of the two Lagrangian foliations of the manifold. Then, we define a canonical connection and an action of the field that correspond to similar objects of double field theory. Another section is devoted to the Marsden-Weinstein reduction in double field theory on para-Hermitian manifolds. Finally, we give examples of fields on some well-known para-Hermitian manifolds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

ESR lineshape and {sup 1}H spin-lattice relaxation dispersion in propylene glycol solutions of nitroxide radicals – Joint analysis

Electron Spin Resonance (ESR) spectroscopy and Nuclear Magnetic Relaxation Dispersion (NMRD) experiments are reported for propylene glycol solutions of the nitroxide radical: 4-oxo-TEMPO-d{sub 16} containing {sup 15}N and {sup 14}N isotopes. The NMRD experiments refer to {sup 1}H spin-lattice relaxation measurements in a broad frequency range (10 kHz–20 MHz). A joint analysis of the ESR and NMRD data is performed. The ESR lineshapes give access to the nitrogen hyperfine tensor components and the rotational correlation time of the paramagnetic molecule. The NMRD data are interpreted in terms of the theory of paramagnetic relaxation enhancement in solutions of nitroxide radicals, recently presented by Kruk et al. [J. Chem. Phys. 138, 124506 (2013)]. The theory includes the effect of the electron spin relaxation on the {sup 1}H relaxation of the solvent. The {sup 1}H relaxation is caused by dipole-dipole interactions between the electron spin of the radical and the proton spins of the solvent molecules. These interactions are modulated by three dynamic processes: relative translational dynamics of the involved molecules, molecular rotation, and electron spin relaxation. The sensitivity to rotation originates from the non-central positions of the interacting spin in the molecules. The electronic relaxation is assumed to stem from the electron spin–nitrogen spin hyperfine coupling, modulated by rotation of the radical molecule. For the interpretation of the NMRD data, we use the nitrogen hyperfine coupling tensor obtained from ESR and fit the other relevant parameters. The consistency of the unified analysis of ESR and NMRD, evaluated by the agreement between the rotational correlation times obtained from ESR and NMRD, respectively, and the agreement of the translation diffusion coefficients with literature values obtained for pure propylene glycol, is demonstrated to be satisfactory.

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

Evidence and control of bifurcations in a respiratory system

We studied the pressure patterns used by domestic canaries in the production of birdsong. Acoustically different sound elements (“syllables”) were generated by qualitatively different pressure gestures. We found that some ubiquitous transitions between syllables can be interpreted as bifurcations of a low dimensional dynamical system. We interpreted these results as evidence supporting a model in which different timescales interact nonlinearly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Weak ergodicity breaking, irreproducibility, and ageing in anomalous diffusion processes

Single particle traces are standardly evaluated in terms of time averages of the second moment of the position time series r(t). For ergodic processes, one can interpret such results in terms of the known theories for the corresponding ensemble averaged quantities. In anomalous diffusion processes, that are widely observed in nature over many orders of magnitude, the equivalence between (long) time and ensemble averages may be broken (weak ergodicity breaking), and these time averages may no longer be interpreted in terms of ensemble theories. Here we detail some recent results on weakly non-ergodic systems with respect to the time averaged mean squared displacement, the inherent irreproducibility of individual measurements, and methods to determine the exact underlying stochastic process. We also address the phenomenon of ageing, the dependence of physical observables on the time span between initial preparation of the system and the start of the measurement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Generalization of Abel's mechanical problem: The extended isochronicity condition and the superposition principle

This paper presents a simple but nontrivial generalization of Abel's mechanical problem, based on the extended isochronicity condition and the superposition principle. There are two primary aims. The first one is to reveal the linear relation between the transit-time T and the travel-length X hidden behind the isochronicity problem that is usually discussed in terms of the nonlinear equation of motion (d{sup 2}X)/(dt{sup 2}) +(dU)/(dX) =0 with U(X) being an unknown potential. Second, the isochronicity condition is extended for the possible Abel-transform approach to designing the isochronous trajectories of charged particles in spectrometers and/or accelerators for time-resolving experiments. Our approach is based on the integral formula for the oscillatory motion by Landau and Lifshitz [Mechanics (Pergamon, Oxford, 1976), pp. 27–29]. The same formula is used to treat the non-periodic motion that is driven by U(X). Specifically, this unknown potential is determined by the (linear) Abel transform X(U) ∝ A[T(E)], where X(U) is the inverse function of U(X), A=(1/√(π))∫{sub 0}{sup E}dU/√(E−U) is the so-called Abel operator, and T(E) is the prescribed transit-time for a particle with energy E to spend in the region of interest. Based on this Abel-transform approach, we have introduced the extended isochronicity condition: typically, τ = T{sub A}(E) + T{sub N}(E) where τ is a constant period, T{sub A}(E) is the transit-time in the Abel type [A-type] region spanning X > 0 and T{sub N}(E) is that in the Non-Abel type [N-type] region covering X < 0. As for the A-type region in X > 0, the unknown inverse function X{sub A}(U) is determined from T{sub A}(E) via the Abel-transform relation X{sub A}(U) ∝ A[T{sub A}(E)]. In contrast, the N-type region in X < 0 does not ensure this linear relation: the region is covered with a predetermined potential U{sub N}(X) of some arbitrary choice, not necessarily obeying the Abel-transform relation. In discussing the isochronicity problem, there has been no attempt of N-type regions that are practically of full use for the charged-particle spectrometers and/or accelerators. In this Abel-transform approach, the superposition principle simplifies the derivation of X{sub A}(U) satisfying the extended isochronicity condition. Although the extended isochronicity condition inevitably discards the low-energy particles, there is no problem for handling accelerated particles because they do not involve the small-amplitude oscillations around the potential minimum. We present analytic examples of X{sub A}(U) that are instructive. In Appendix B, Urabe's criterion is interpreted in the time domain, using the Abel-transform approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Mappings of open quantum systems onto chain representations and Markovian embeddings

We study systems coupled linearly to a bath of oscillators. In an iterative process, the bath is transformed into a chain of oscillators with nearest neighbour interactions. A systematic procedure is provided to obtain the spectral density of the residual bath in each step, and it is shown that under general conditions these data converge. That is, the asymptotic part of the chain is universal, translation invariant with semicircular spectral density. The methods are based on orthogonal polynomials, in which we also solve the outstanding so-called “sequence of secondary measures problem” and give them a physical interpretation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Oscillators in a (2+1)-dimensional noncommutative space

We study the Harmonic and Dirac Oscillator problem extended to a three-dimensional noncommutative space where the noncommutativity is induced by the shift of the dynamical variables with generators of SL(2,R) in a unitary irreducible representation considered in Falomir et al. [Phys. Rev. D 86, 105035 (2012)]. This redefinition is interpreted in the framework of the Levi's decomposition of the deformed algebra satisfied by the noncommutative variables. The Hilbert space gets the structure of a direct product with the representation space as a factor, where there exist operators which realize the algebra of Lorentz transformations. The spectrum of these models are considered in perturbation theory, both for small and large noncommutativity parameters, finding no constraints between coordinates and momenta noncommutativity parameters. Since the representation space of the unitary irreducible representations SL(2,R) can be realized in terms of spaces of square-integrable functions, we conclude that these models are equivalent to quantum mechanical models of particles living in a space with an additional compact dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A note on the application of the Prigogine theorem to rotation of tokamak-plasmas in absence of external torques

Rotation of tokamak-plasmas, not at the mechanical equilibrium, is investigated using the Prigogine thermodynamic theorem. This theorem establishes that, for systems confined in rectangular boxes, the global motion of the system with barycentric velocity does not contribute to dissipation. This result, suitably applied to toroidally confined plasmas, suggests that the global barycentric rotations of the plasma, in the toroidal and poloidal directions, are pure reversible processes. In case of negligible viscosity and by supposing the validity of the balance equation for the internal forces, we show that the plasma, even not in the mechanical equilibrium, may freely rotate in the toroidal direction with an angular frequency, which may be higher than the neoclassical estimation. In addition, its toroidal rotation may cause the plasma to rotate globally in the poloidal direction at a speed faster than the expression found by the neoclassical theory. The eventual configuration is attained when the toroidal and poloidal angular frequencies reaches the values that minimize dissipation. The physical interpretation able to explain the reason why some layers of plasma may freely rotate in one direction while, at the same time, others may freely rotate in the opposite direction, is also provided. Invariance properties, herein studied, suggest that the dynamic phase equation might be of the second order in time. We then conclude that a deep and exhaustive study of the invariance properties of the dynamical and thermodynamic equations is the most correct and appropriate way for understanding the triggering mechanism leading to intrinsic plasma-rotation in toroidal magnetic configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Role of the interface on radiation damage in the SrTiO{sub 3}/LaAlO{sub 3} heterostructure under Ne{sup 2+} ion irradiation

We systematically investigated the microstructural evolution of heteroepitaxial SrTiO{sub 3} (STO) thin films grown on a single crystal LaAlO{sub 3} (LAO) (001) substrate, focusing on the response of the STO/LAO interface to Ne{sup 2+} irradiation at room temperature. Cross sectional transmission electron microscope (TEM) analysis reveals that the LAO crystal amorphizes first after a relatively low dose of damage followed by the amorphization of the STO film after irradiation to a higher dose. While the critical dose to amorphize differs between each material, amorphization begins at the interface and proceeds outward in both cases. Thus, a crystalline/amorphous interface first forms at the STO/LAO interface by a dose of 1 dpa, and then an amorphous/amorphous interface forms when the dose reaches 3 dpa. Scanning TEM and x-ray energy dispersive spectroscopy indicate no significant heavy cation elemental diffusion, though electron energy loss spectroscopy reveals a redistribution of oxygen across the film/substrate interface after Ne{sup 2+} irradiation. Atomistic calculations are used to interpret the experimental findings in terms of the defect properties in each of the two component phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A Gaussian graphical model approach to climate networks

Distinguishing between direct and indirect connections is essential when interpreting network structures in terms of dynamical interactions and stability. When constructing networks from climate data the nodes are usually defined on a spatial grid. The edges are usually derived from a bivariate dependency measure, such as Pearson correlation coefficients or mutual information. Thus, the edges indistinguishably represent direct and indirect dependencies. Interpreting climate data fields as realizations of Gaussian Random Fields (GRFs), we have constructed networks according to the Gaussian Graphical Model (GGM) approach. In contrast to the widely used method, the edges of GGM networks are based on partial correlations denoting direct dependencies. Furthermore, GRFs can be represented not only on points in space, but also by expansion coefficients of orthogonal basis functions, such as spherical harmonics. This leads to a modified definition of network nodes and edges in spectral space, which is motivated from an atmospheric dynamics perspective. We construct and analyze networks from climate data in grid point space as well as in spectral space, and derive the edges from both Pearson and partial correlations. Network characteristics, such as mean degree, average shortest path length, and clustering coefficient, reveal that the networks posses an ordered and strongly locally interconnected structure rather than small-world properties. Despite this, the network structures differ strongly depending on the construction method. Straightforward approaches to infer networks from climate data while not regarding any physical processes may contain too strong simplifications to describe the dynamics of the climate system appropriately.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Spin transfer torque generated magnetic droplet solitons (invited)

We present recent experimental and numerical advancements in the understanding of spin transfer torque generated magnetic droplet solitons. The experimental work focuses on nano-contact spin torque oscillators (NC-STOs) based on orthogonal (pseudo) spin valves where the Co fixed layer has an easy-plane anisotropy, and the [Co/Ni] free layer has a strong perpendicular magnetic anisotropy. The NC-STO resistance and microwave signal generation are measured simultaneously as a function of drive current and applied perpendicular magnetic field. Both exhibit dramatic transitions at a certain current dependent critical field value, where the microwave frequency drops 10 GHz, modulation sidebands appear, and the resistance exhibits a jump, while the magnetoresistance changes sign. We interpret these observations as the nucleation of a magnetic droplet soliton with a large fraction of its magnetization processing with an angle greater than 90°, i.e., around a direction opposite that of the applied field. This interpretation is corroborated by numerical simulations. When the field is further increased, we find that the droplet eventually collapses under the pressure from the Zeeman energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Diradicals acting through diamagnetic phenylene vinylene bridges: Raman spectroscopy as a probe to characterize spin delocalization

We present a complete Raman spectroscopic study in two structurally well-defined diradical species of different lengths incorporating oligo p-phenylene vinylene bridges between two polychlorinated triphenylmethyl radical units, a disposition that allows sizeable conjugation between the two radicals through and with the bridge. The spectroscopic data are interpreted and supported by quantum chemical calculations. We focus the attention on the Raman frequency changes, interpretable in terms of: (i) bridge length (conjugation length); (ii) bridge conformational structure; and (iii) electronic coupling between the terminal radical units with the bridge and through the bridge, which could delineate through-bond spin polarization, or spin delocalization. These items are addressed by using the “oligomer approach” in conjunction with pressure and temperature dependent Raman spectroscopic data. In summary, we have attempted to translate the well-known strategy to study the electron (charge) structure of π−conjugated molecules by Raman spectroscopy to the case of electron (spin) interactions via the spin delocalization mechanism.

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

Acoustic scattering by elastic cylinders of elliptical cross-section and splitting up of resonances

The scattering of a plane acoustic wave by an infinite elastic cylinder of elliptical cross section is studied from a modal formalism by emphasizing the role of the symmetries. More precisely, as the symmetry is broken in the transition from the infinite circular cylinder to the elliptical one, the splitting up of resonances is observed both theoretically and experimentally. This phenomenon can be interpreted using group theory. The main difficulty stands in the application of this theory within the framework of the vectorial formalism in elastodynamics. This method significantly simplifies the numerical treatment of the problem, provides a full classification of the resonances, and gives a physical interpretation of the splitting up in terms of symmetry breaking. An experimental part based on ultrasonic spectroscopy complements the theoretical study. A series of tank experiments is carried out in the case of aluminium elliptical cylinders immersed in water, in the frequency range 0 ≤ kr ≤ 50, where kr is the reduced wave number in the fluid. The symmetry is broken by selecting various cylinders of increasing eccentricity. More precisely, the greater the eccentricity, the higher the splitting up of resonances is accentuated. The experimental results provide a very good agreement with the theoretical ones, the splitting up is observed on experimental form functions, and the split resonant modes are identified on angular diagrams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1} = 226 K, T{sub 2} = 264 K, and T{sub 3} = 297 K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup −1}–10{sup 7} Hz frequency range and 203–313 K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Laboratory study of nitrate photolysis in Antarctic snow. II. Isotopic effects and wavelength dependence

Atmospheric nitrate is preserved in Antarctic snow firn and ice. However, at low snow accumulation sites, post-depositional processes induced by sunlight obscure its interpretation. The goal of these studies (see also Paper I by Meusinger et al. [“Laboratory study of nitrate photolysis in Antarctic snow. I. Observed quantum yield, domain of photolysis, and secondary chemistry,” J. Chem. Phys. 140, 244305 (2014)]) is to characterize nitrate photochemistry and improve the interpretation of the nitrate ice core record. Naturally occurring stable isotopes in nitrate ({sup 15}N, {sup 17}O, and {sup 18}O) provide additional information concerning post-depositional processes. Here, we present results from studies of the wavelength-dependent isotope effects from photolysis of nitrate in a matrix of natural snow. Snow from Dome C, Antarctica was irradiated in selected wavelength regions using a Xe UV lamp and filters. The irradiated snow was sampled and analyzed for nitrate concentration and isotopic composition (δ{sup 15}N, δ{sup 18}O, and Δ{sup 17}O). From these measurements an average photolytic isotopic fractionation of {sup 15}ε = (−15 ± 1.2)‰ was found for broadband Xe lamp photolysis. These results are due in part to excitation of the intense absorption band of nitrate around 200 nm in addition to the weaker band centered at 305 nm followed by photodissociation. An experiment with a filter blocking wavelengths shorter than 320 nm, approximating the actinic flux spectrum at Dome C, yielded a photolytic isotopic fractionation of {sup 15}ε = (−47.9 ± 6.8)‰, in good agreement with fractionations determined by previous studies for the East Antarctic Plateau which range from −40 to −74.3‰. We describe a new semi-empirical zero point energy shift model used to derive the absorption cross sections of {sup 14}NO{sub 3}{sup −} and {sup 15}NO{sub 3}{sup −} in snow at a chosen temperature. The nitrogen isotopic fractionations obtained by applying this model under the experimental temperature as well as considering the shift in width and center well reproduced the values obtained in the laboratory study. These cross sections can be used in isotopic models to reproduce the stable isotopic composition of nitrate found in Antarctic snow profiles.

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

The positron excess as a smoking gun for dynamical dark matter?

One of the most puzzling aspects of recent data from the AMS-02 experiment is an apparent rise in the cosmic-ray positron fraction as a function of energy. This feature is observed out to energies of approximately 350 GeV. One explanation of these results interprets the extra positrons as arising from the decays of dark-matter particles. This in turn typically requires that such particles have rather heavy TeV-scale masses and not undergo simple two-body decays to leptons. In this talk, by contrast, we show that Dynamical Dark Matter (DDM) can not only match existing AMS-02 data on the positron excess, but also accomplish this feat with significantly lighter dark-matter constituents undergoing simple two-body decays to leptons. We also demonstrate that the Dynamical Dark Matter framework makes a fairly robust prediction that the positron fraction should level off and then remain roughly constant out to approximately 1 TeV, without experiencing any sharp downturns. Thus, if we interpret the positron excess in terms of decaying dark matter, the existence of a plateau in the positron fraction at energies less than 1 TeV may be taken as a “smoking gun” of Dynamical Dark Matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Resonant vibrational energy transfer in ice Ih

Fascinating anisotropy decay experiments have recently been performed on H{sub 2}O ice Ih by Timmer and Bakker [R. L. A. Timmer, and H. J. Bakker, J. Phys. Chem. A 114, 4148 (2010)]. The very fast decay (on the order of 100 fs) is indicative of resonant energy transfer between OH stretches on different molecules. Isotope dilution experiments with deuterium show a dramatic dependence on the hydrogen mole fraction, which confirms the energy transfer picture. Timmer and Bakker have interpreted the experiments with a Förster incoherent hopping model, finding that energy transfer within the first solvation shell dominates the relaxation process. We have developed a microscopic theory of vibrational spectroscopy of water and ice, and herein we use this theory to calculate the anisotropy decay in ice as a function of hydrogen mole fraction. We obtain very good agreement with experiment. Interpretation of our results shows that four nearest-neighbor acceptors dominate the energy transfer, and that while the incoherent hopping picture is qualitatively correct, vibrational energy transport is partially coherent on the relevant timescale.

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

Summing over trajectories of stochastic dynamics with multiplicative noise

We demonstrate that previous path integral formulations for the general stochastic interpretation generate incomplete results exemplified by the geometric Brownian motion. We thus develop a novel path integral formulation for the overdamped Langevin equation with multiplicative noise. The present path integral leads to the corresponding Fokker-Planck equation, and naturally generates a normalized transition probability in examples. Our result solves the inconsistency of the previous path integral formulations for the general stochastic interpretation, and can have wide applications in chemical and physical stochastic processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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