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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Longitudinal relaxation in dipole-coupled homonuclear three-spin systems: Distinct correlations and odd spectral densities

A system of three dipole-coupled spins exhibits a surprisingly intricate relaxation behavior. Following Hubbard’s pioneering 1958 study, many authors have investigated different aspects of this problem. Nevertheless, on revisiting this classic relaxation problem, we obtain several new results, some of which are at variance with conventional wisdom. Most notably from a fundamental point of view, we find that the odd-valued spectral density function influences longitudinal relaxation. We also show that the effective longitudinal relaxation rate for a non-isochronous three-spin system can exhibit an unusual inverted dispersion step. To clarify these and other issues, we present a comprehensive theoretical treatment of longitudinal relaxation in a three-spin system of arbitrary geometry and with arbitrary rotational dynamics. By using the Liouville-space formulation of Bloch-Wangsness-Redfield theory and a basis of irreducible spherical tensor operators, we show that the number of relaxation components in the different cases can be deduced from symmetry arguments. For the isochronous case, we present the relaxation matrix in analytical form, whereas, for the non-isochronous case, we employ a computationally efficient approach based on the stochastic Liouville equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A global potential energy surface and dipole moment surface for silane

A new nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) for silane have been generated using high-level ab initio theory. The PES, CBS-F12{sup HL}, reproduces all four fundamental term values for {sup 28}SiH{sub 4} with sub-wavenumber accuracy, resulting in an overall root-mean-square error of 0.63 cm{sup −1}. The PES is based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set limit, and incorporates a range of higher-level additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, and scalar relativistic effects. Systematic errors in computed intra-band rotational energy levels are reduced by empirically refining the equilibrium geometry. The resultant Si–H bond length is in excellent agreement with previous experimental and theoretical values. Vibrational transition moments, absolute line intensities of the ν{sub 3} band, and the infrared spectrum for {sup 28}SiH{sub 4} including states up to J = 20 and vibrational band origins up to 5000 cm{sup −1} are calculated and compared with available experimental results. The DMS tends to marginally overestimate the strength of line intensities. Despite this, band shape and structure across the spectrum are well reproduced and show good agreement with experiment. We thus recommend the PES and DMS for future use.

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

Electric dipole transitions for four-times ionized cerium (Ce V)

We have calculated the transition parameters, such as wavelengths, oscillator strengths, and transition probabilities (or rates), for the electric dipole (E1) transitions in four-times ionized cerium (Ce V, Z = 58) by using the multiconfiguration Hartree-Fock method within the framework of Breit-Pauli (MCHF+BP) relativistic corrections and the relativistic Hartree-Fock (HFR) method. The obtained results have been compared with other works available in literature. A discussion of these calculations for Ce V in this study has also been in view of the MCHF+BP and HFR methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Pair correlations of dipole emitters in a finite charged-sheet structure

The pair correlations arising from the cooperative emission from the joint first excited states of two identical dipole emitters localised within a finite ordered charged-sheet structure (FCSS) are investigated. The FCSS consists of a finite number of charged-sheets separating dielectric layers. The rates of de-excitation corresponding to a pair of states, namely the symmetric state and anti-symmetric state, are evaluated. The study of field-matter interactions of this kind in such a context would be useful for the development of quantum-information and the realisation of quantum-computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Stable dipole solitons and soliton complexes in the nonlinear Schrödinger equation with periodically modulated nonlinearity

We develop a general classification of the infinite number of families of solitons and soliton complexes in the one-dimensional Gross-Pitaevskii/nonlinear Schrödinger equation with a nonlinear lattice pseudopotential, i.e., periodically modulated coefficient in front of the cubic term, which takes both positive and negative local values. This model finds direct implementations in atomic Bose-Einstein condensates and nonlinear optics. The most essential finding is the existence of two branches of dipole solitons (DSs), which feature an antisymmetric shape, being essentially squeezed into a single cell of the nonlinear lattice. This soliton species was not previously considered in nonlinear lattices. We demonstrate that one branch of the DS family (namely, which obeys the Vakhitov-Kolokolov criterion) is stable, while unstable DSs spontaneously transform into stable fundamental solitons (FSs). The results are obtained in numerical and approximate analytical forms, the latter based on the variational approximation. Some stable bound states of FSs are found too.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Strontium ruthenate–anatase titanium dioxide heterojunctions from first-principles: Electronic structure, spin, and interface dipoles

The epitaxial integration of functional oxides with wide band gap semiconductors offers the possibility of new material systems for electronics and energy conversion applications. We use first principles to consider an epitaxial interface between the correlated metal oxide SrRuO{sub 3} and the wide band gap semiconductor TiO{sub 2}, and assess energy level alignment, interfacial chemistry, and interfacial dipole formation. Due to the ferromagnetic, half-metallic character of SrRuO{sub 3}, according to which only one spin is present at the Fermi level, we demonstrate the existence of a spin dependent band alignment across the interface. For two different terminations of SrRuO{sub 3}, the interface is found to be rectifying with a Schottky barrier of ≈1.3–1.6 eV, in good agreement with experiment. In the minority spin, SrRuO{sub 3} exhibits a Schottky barrier alignment with TiO{sub 2} and our calculated Schottky barrier height is in excellent agreement with previous experimental measurements. For majority spin carriers, we find that SrRuO{sub 3} recovers its exchange splitting gap and bulk-like properties within a few monolayers of the interface. These results demonstrate a possible approach to achieve spin-dependent transport across a heteroepitaxial interface between a functional oxide material and a conventional wide band gap semiconductor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Confinement of electrons in the focus of the dipole wave

Based on the numerical modelling of the electron dynamics in the focal region of a dipole wave, we have found the confinement time of electrons in the region of the strongest electric field in a wide (up to 200 PW) power range. By comparing confinement times of particles and the spatial structures of their escape, we have determined the regimes of ponderomotive escape and radiation-dominated escape corresponding to normal and anomalous radiative trapping, as well as the threshold powers of these regimes. It is shown that in the regimes of ponderomotive escape, the confinement time decreases with increasing power and stabilises at the level of one third of the wave period with the particles leaving the focal region predominantly across the electric field. In the radiation-dominated regime, the confinement time, on the contrary, increases with increasing power, the rate of transverse particles’ escape decreases, and the particles leave the focal region in the form of compact beams. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Balance-equation method for simulating terahertz quantum-cascade lasers using a wave-function basis with reduced dipole moments of tunnel-coupled states

A model based on a system of balance equations for localised and continuum states is developed to calculate the current − voltage (I − V) and power characteristics of quantum-cascade lasers (QCLs) operating in the terahertz (THz) range. A method for modifying the eigenbasis of the Schrödinger equation by reducing the dipole moments of tunnel-coupled states is proposed to take into account the effect of dephasing on the carrier transport. The calculated and experimental data on the current − voltage characteristics and the dependence of the integrated radiation intensity on current for the THz QCLs lasing at 2.3 THz are compared. The calculated and measured values of the threshold current, lasing current range, and maximum operating temperature T{sub max} are found to be in good agreement. It is shown that T{sub max} can be increased by 25 % by reducing the thickness of the top contact layer n{sup +}-GaAs of the laser structure under study from 800 to 100 nm. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Spectroscopy of atoms in an optical dipole trap using spectrally selective heating by a probe laser field

Spectral properties of atoms localised in an optical dipole trap are studied using the method of spectrally selective heating by a probe field. The method is based on measuring the number of atoms in a trap after they interact with a probe field. The dependence of the number of atoms on the frequency of the probe field fully characterises the shift and width of the spectral absorption line of trapped atoms. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Trapping and detection of single rubidium atoms in an optical dipole trap using a long-focus objective lens

The trapping of single atoms in optical dipole traps is widely used in experiments on the implementation of quantum processors based on neutral atoms, and studying interatomic interactions. Typically, such experiments employ lenses with a large numerical aperture (NA > 0.5), highly sensitive EMCCD cameras, or photon counters. In this work, we demonstrate trapping and detection of single rubidium atoms using a long-focus objective lens with a numerical aperture NA = 0.172 and a FLir Tau CNV sCMOS camera. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

DIPOLE COLLAPSE AND DYNAMO WAVES IN GLOBAL DIRECT NUMERICAL SIMULATIONS

Magnetic fields of low-mass stars and planets are thought to originate from self-excited dynamo action in their convective interiors. Observations reveal a variety of field topologies ranging from large-scale, axial dipoles to more structured magnetic fields. In this article, we investigate more than 70 three-dimensional, self-consistent dynamo models in the Boussinesq approximation obtained by direct numerical simulations. The control parameters, the aspect ratio, and the mechanical boundary conditions have been varied to build up this sample of models. Both strongly dipolar and multipolar models have been obtained. We show that these dynamo regimes in general can be distinguished by the ratio of a typical convective length scale to the Rossby radius. Models with a predominantly dipolar magnetic field were obtained, if the convective length scale is at least an order of magnitude larger than the Rossby radius. Moreover, we highlight the role of the strong shear associated with the geostrophic zonal flow for models with stress-free boundary conditions. In this case the above transition disappears and is replaced by a region of bistability for which dipolar and multipolar dynamos coexist. We interpret our results in terms of dynamo eigenmodes using the so-called test-field method. We can thus show that models in the dipolar regime are characterized by an isolated 'single mode'. Competing overtones become significant as the boundary to multipolar dynamos is approached. We discuss how these findings relate to previous models and to observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ANALYTICAL CALCULATION OF STOKES PROFILES OF ROTATING STELLAR MAGNETIC DIPOLE

The observation of the polarization emerging from a rotating star at different phases opens up the possibility to map the magnetic field in the stellar surface thanks to the well-known Zeeman-Doppler imaging. When the magnetic field is sufficiently weak, the circular and linear polarization profiles locally in each point of the star are proportional to the first and second derivatives of the unperturbed intensity profile, respectively. We show that the weak-field approximation (for weak lines in the case of linear polarization) can be generalized to the case of a rotating star including the Doppler effect and taking into account the integration on the stellar surface. The Stokes profiles are written as a linear combination of wavelength-dependent terms expressed as series expansions in terms of Hermite polynomials. These terms contain the surface-integrated magnetic field and velocity components. The direct numerical evaluation of these quantities is limited to rotation velocities not larger than eight times the Doppler width of the local absorption profiles. Additionally, we demonstrate that in a rotating star, the circular polarization flux depends on the derivative of the intensity flux with respect to the wavelength and also on the profile itself. Likewise, the linear polarization depends on the profile and on its first and second derivatives with respect to the wavelength. We particularize the general expressions to a rotating dipole.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ABSORPTION EFFICIENCIES OF FORSTERITE. I. DISCRETE DIPOLE APPROXIMATION EXPLORATIONS IN GRAIN SHAPE AND SIZE

We compute the absorption efficiency (Q{sub abs}) of forsterite using the discrete dipole approximation in order to identify and describe what characteristics of crystal grain shape and size are important to the shape, peak location, and relative strength of spectral features in the 8-40 {mu}m wavelength range. Using the DDSCAT code, we compute Q{sub abs} for non-spherical polyhedral grain shapes with a{sub eff} = 0.1 {mu}m. The shape characteristics identified are (1) elongation/reduction along one of three crystallographic axes; (2) asymmetry, such that all three crystallographic axes are of different lengths; and (3) the presence of crystalline faces that are not parallel to a specific crystallographic axis, e.g., non-rectangular prisms and (di)pyramids. Elongation/reduction dominates the locations and shapes of spectral features near 10, 11, 16, 23.5, 27, and 33.5 {mu}m, while asymmetry and tips are secondary shape effects. Increasing grain sizes (0.1-1.0 {mu}m) shifts the 10 and 11 {mu}m features systematically toward longer wavelengths and relative to the 11 {mu}m feature increases the strengths and slightly broadens the longer wavelength features. Seven spectral shape classes are established for crystallographic a-, b-, and c-axes and include columnar and platelet shapes plus non-elongated or equant grain shapes. The spectral shape classes and the effects of grain size have practical application in identifying or excluding columnar, platelet, or equant forsterite grain shapes in astrophysical environs. Identification of the shape characteristics of forsterite from 8 to 40 {mu}m spectra provides a potential means to probe the temperatures at which forsterite formed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Constraint on the polarization of electric dipole emission from spinning dust

Planck results have revealed that the electric dipole emission from polycyclic aromatic hydrocarbons (PAHs) is the most reliable explanation for the anomalous microwave emission that interferes with cosmic microwave background (CMB) radiation experiments. The emerging question is to what extent this emission component contaminates the polarized CMB radiation. We present constraints on polarized dust emission for the model of grain-size distribution and grain alignment that best fits the observed extinction and polarization curves. Two stars with a prominent polarization feature at λ = 2175 Å—HD 197770 and HD 147933-4—are chosen for our study. For HD 197770, we find that the model with aligned silicate grains plus weakly aligned PAHs can successfully reproduce the 2175 Å polarization feature; in contrast, for HD 147933-4, we find that the alignment of only silicate grains can account for that feature. The alignment function of PAHs for the best-fit model to the HD 197770 data is used to constrain polarized spinning dust emission. We find that the degree of polarization of spinning dust emission is about 1.6% at frequency ν ≈ 3 GHz and declines to below 0.9% for ν > 20 GHz. We also predict the degree of polarization of thermal dust emission at 353 GHz to be P {sub em} ≈ 11% and 14% for the lines of sight to the HD 197770 and HD 147933-4 stars, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE INTERNAL ROTATION PROFILE OF THE B-TYPE STAR KIC 10526294 FROM FREQUENCY INVERSION OF ITS DIPOLE GRAVITY MODES

The internal angular momentum distribution of a star is the key to determining its evolution. Fortunately, stellar internal rotation can be probed through studies of rotationally split nonradial oscillation modes. In particular, the detection of nonradial gravity modes (g modes) in massive young stars has recently become feasible thanks to the Kepler space mission. Our goal is to derive the internal rotation profile of the Kepler B8V star KIC 10526294 through asteroseismology. We interpret the observed rotational splittings of its dipole g modes using four different approaches based on the best seismic models of the star and their rotational kernels. We show that these kernels can resolve differential rotation within the radiative envelope if a smooth rotational profile is assumed and if the observational errors are small. Based on Kepler data, we find that the rotation rate near the core-envelope boundary is well constrained to 163 ± 89 nHz. The seismic data are consistent with rigid rotation but a profile with counter-rotation within the envelope has a statistical advantage over constant rotation. Our study should be repeated for other massive stars with a variety of stellar parameters in order to determine the physical conditions that control the internal rotation profile of young massive stars, with the aim of improving the input physics of their models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Dipole modulation of cosmic microwave background temperature and polarization

We propose a dipole modulation model for the Cosmic Microwave Background Radiation (CMBR) polarization field. We show that the model leads to correlations between l and l+1 multipoles, exactly as in the case of temperature. We obtain results for the case of TE, EE and BB correlations. An anisotropic or inhomogeneous model of primordial power spectrum which leads to such correlations in temperature field also predicts similar correlations in CMBR polarization. We analyze the CMBR temperature and polarization data in order to extract the signal of these correlation between l and l+1 multipoles. Our results for the case of temperature using the latest PLANCK data agree with those obtained by an earlier analysis. A detailed study of the correlation in the polarization data is not possible at present. Hence we restrict ourselves to a preliminary investigation in this case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Analyzing the cosmic variance limit of remote dipole measurements of the cosmic microwave background using the large-scale kinetic Sunyaev Zel'dovich effect

Due to cosmic variance we cannot learn any more about large-scale inhomogeneities from the primary cosmic microwave background (CMB) alone. More information on large scales is essential for resolving large angular scale anomalies in the CMB. Here we consider cross correlating the large-scale kinetic Sunyaev Zel'dovich (kSZ) effect and probes of large-scale structure, a technique known as kSZ tomography. The statistically anisotropic component of the cross correlation encodes the CMB dipole as seen by free electrons throughout the observable Universe, providing information about long wavelength inhomogeneities. We compute the large angular scale power asymmetry, constructing the appropriate transfer functions, and estimate the cosmic variance limited signal to noise for a variety of redshift bin configurations. The signal to noise is significant over a large range of power multipoles and numbers of bins. We present a simple mode counting argument indicating that kSZ tomography can be used to estimate more modes than the primary CMB on comparable scales. A basic forecast indicates that a first detection could be made with next-generation CMB experiments and galaxy surveys. This paper motivates a more systematic investigation of how close to the cosmic variance limit it will be possible to get with future observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Effect of transition dipole phase on high-order-harmonic generation in solid materials

High-order harmonic spectra from solid materials driven by single-color multicycle laser fields sometimes contain even harmonics. In this work we attribute the appearance of even harmonics to the nonzero transition dipole phase (TDP) when the solid system has broken symmetry. By calculating the harmonic efficiency from graphene and gapped graphene by using the semiconductor Bloch equations under the tight-binding approximation, we demonstrate the role of the TDP, which has been ignored for a long time. Furthermore, when the crystal has inversion symmetry, or reflection symmetry with the symmetry plane perpendicular to the laser polarization direction, the TDP can be neglected. Without such symmetry, however, the TDP will lead to the appearance of even harmonics. We further show that the TDP is sensitive to the crystal geometry. To extract the structure information from the harmonic spectra of a solid the TDP cannot be ignored.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗