Sample records for energy level splitting

  1. Long wavelength infrared detector

    NASA Technical Reports Server (NTRS)

    Vasquez, Richard P. (Inventor)

    1993-01-01

    Long wavelength infrared detection is achieved by a detector made with layers of quantum well material bounded on each side by barrier material to form paired quantum wells, each quantum well having a single energy level. The width and depth of the paired quantum wells, and the spacing therebetween, are selected to split the single energy level with an upper energy level near the top of the energy wells. The spacing is selected for splitting the single energy level into two energy levels with a difference between levels sufficiently small for detection of infrared radiation of a desired wavelength.

  2. Two-photon exchange correction to the hyperfine splitting in muonic hydrogen

    NASA Astrophysics Data System (ADS)

    Tomalak, Oleksandr

    2017-12-01

    We reevaluate the Zemach, recoil and polarizability corrections to the hyperfine splitting in muonic hydrogen expressing them through the low-energy proton structure constants and obtain the precise values of the Zemach radius and two-photon exchange (TPE) contribution. The uncertainty of TPE correction to S energy levels in muonic hydrogen of 105 ppm exceeds the ppm accuracy level of the forthcoming 1S hyperfine splitting measurements at PSI, J-PARC and RIKEN-RAL.

  3. Shot noise as a measure of the lifetime and energy splitting of Majorana bound states

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lü, Hai-Feng; Guo, Zhen; Ke, Sha-Sha

    We propose a scheme to measure the lifetime and energy splitting of a pair of Majorana bound states at the ends of a superconducting nanowire by using the shot noise in a dynamical channel blockade system. A quantum dot is coupled to one end of the wire and connected with two electron reservoirs. It is found that a finite Majorana energy splitting tends to produce a super-Poissonian shot noise, while Majorana relaxation process relieves the dynamical channel blockade and suppresses the noise Fano factor. When the dot energy level locates in the middle of the gap of topological superconductor, themore » Fano factor is independent on Majorana lifetime and Majorana energy splitting is thus extracted. For a finite energy splitting, we could evaluate the Majorana relaxation rate from the suppression of Fano factor. Under a realistic condition, the expected resolution of Majorana energy splitting and its relaxation rate calculated from our model are about 1μeV and 0.01−1μeV, respectively.« less

  4. Ab Initio Vibrational Levels For HO2 and Vibrational Splittings for Hydrogen Atom Transfer

    NASA Technical Reports Server (NTRS)

    Barclay, V. J.; Dateo, Christopher E.; Hamilton, I. P.; Arnold, James O. (Technical Monitor)

    1994-01-01

    We calculate vibrational levels and wave functions for HO2 using the recently reported ab initio potential energy surface of Walch and Duchovic. There is intramolecular hydrogen atom transfer when the hydrogen atom tunnels through a T-shaped saddle point separating two equivalent equilibrium geometries, and correspondingly, the energy levels are split. We focus on vibrational levels and wave functions with significant splitting. The first three vibrational levels with splitting greater than 2/cm are (15 0), (0 7 1) and (0 8 0) where V(sub 2) is the O-O-H bend quantum number. We discuss the dynamics of hydrogen atom transfer; in particular, the O-O distances at which hydrogen atom transfer is most probable for these vibrational levels. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

  5. Assisted extraction of the energy level spacings and lever arms in direct current bias measurements of one-dimensional quantum wires, using an image recognition routine

    NASA Astrophysics Data System (ADS)

    Lesage, A. A. J.; Smith, L. W.; Al-Taie, H.; See, P.; Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.; Kelly, M. J.; Smith, C. G.

    2015-01-01

    A multiplexer technique is used to individually measure an array of 256 split gates on a single GaAs/AlGaAs heterostructure. This results in the generation of large volumes of data, which requires the development of automated data analysis routines. An algorithm is developed to find the spacing between discrete energy levels, which form due to transverse confinement from the split gate. The lever arm, which relates split gate voltage to energy, is also found from the measured data. This reduces the time spent on the analysis. Comparison with estimates obtained visually shows that the algorithm returns reliable results for subband spacing of split gates measured at 1.4 K. The routine is also used to assess direct current bias spectroscopy measurements at lower temperatures (50 mK). This technique is versatile and can be extended to other types of measurements. For example, it is used to extract the magnetic field at which Zeeman-split 1D subbands cross one another.

  6. Splitting of the zero-energy Landau level and universal dissipative conductivity at critical points in disordered graphene.

    PubMed

    Ortmann, Frank; Roche, Stephan

    2013-02-22

    We report on robust features of the longitudinal conductivity (σ(xx)) of the graphene zero-energy Landau level in the presence of disorder and varying magnetic fields. By mixing an Anderson disorder potential with a low density of sublattice impurities, the transition from metallic to insulating states is theoretically explored as a function of Landau-level splitting, using highly efficient real-space methods to compute the Kubo conductivities (both σ(xx) and Hall σ(xy)). As long as valley degeneracy is maintained, the obtained critical conductivity σ(xx) =/~ 1.4e(2)/h is robust upon an increase in disorder (by almost 1 order of magnitude) and magnetic fields ranging from about 2 to 200 T. When the sublattice symmetry is broken, σ(xx) eventually vanishes at the Dirac point owing to localization effects, whereas the critical conductivities of pseudospin-split states (dictating the width of a σ(xy) = 0 plateau) change to σ(xx) =/~ e(2)/h, regardless of the splitting strength, superimposed disorder, or magnetic strength. These findings point towards the nondissipative nature of the quantum Hall effect in disordered graphene in the presence of Landau level splitting.

  7. Chemistry of personalized solar energy.

    PubMed

    Nocera, Daniel G

    2009-11-02

    Personalized energy (PE) is a transformative idea that provides a new modality for the planet's energy future. By providing solar energy to the individual, an energy supply becomes secure and available to people of both legacy and nonlegacy worlds and minimally contributes to an increase in the anthropogenic level of carbon dioxide. Because PE will be possible only if solar energy is available 24 h a day, 7 days a week, the key enabler for solar PE is an inexpensive storage mechanism. HY (Y = halide or OH(-)) splitting is a fuel-forming reaction of sufficient energy density for large-scale solar storage, but the reaction relies on chemical transformations that are not understood at the most basic science level. Critical among these are multielectron transfers that are proton-coupled and involve the activation of bonds in energy-poor substrates. The chemistry of these three italicized areas is developed, and from this platform, discovery paths leading to new hydrohalic acid- and water-splitting catalysts are delineated. The latter water-splitting catalyst captures many of the functional elements of photosynthesis. In doing so, a highly manufacturable and inexpensive method for solar PE storage has been discovered.

  8. Laser induced fluorescence of BaS: Sm phosphor and energy level splitting of Sm 3+ ion

    NASA Astrophysics Data System (ADS)

    Thomas, Reethamma; Nampoori, V. P. N.

    1990-03-01

    Fluorescence of BaS: Sm phosphor has been studied using a pulsed Nitrogen laser (337.1 nm) as the excitation source. The spectrum consists of a broad band in the region 540-660nm superposed by the characteristic Sm 3+ lines. Energy level splitting pattern of Sm 3+ due to crystal field effects has been calculated and relevent field parameters are evaluated. Analysis shows that Sm 3+ takes up Ba 2+ substitutional sites.

  9. Mediator- and co-catalyst-free direct Z-scheme composites of Bi2WO6-Cu3P for solar-water splitting.

    PubMed

    Rauf, Ali; Ma, Ming; Kim, Sungsoon; Sher Shah, Md Selim Arif; Chung, Chan-Hwa; Park, Jong Hyeok; Yoo, Pil J

    2018-02-08

    Exploring new single, active photocatalysts for solar-water splitting is highly desirable to expedite current research on solar-chemical energy conversion. In particular, Z-scheme-based composites (ZBCs) have attracted extensive attention due to their unique charge transfer pathway, broader redox range, and stronger redox power compared to conventional heterostructures. In the present report, we have for the first time explored Cu 3 P, a new, single photocatalyst for solar-water splitting applications. Moreover, a novel ZBC system composed of Bi 2 WO 6 -Cu 3 P was designed employing a simple method of ball-milling complexation. The synthesized materials were examined and further investigated through various microscopic, spectroscopic, and surface area characterization methods, which have confirmed the successful hybridization between Bi 2 WO 6 and Cu 3 P and the formation of a ZBC system that shows the ideal position of energy levels for solar-water splitting. Notably, the ZBC composed of Bi 2 WO 6 -Cu 3 P is a mediator- and co-catalyst-free photocatalyst system. The improved photocatalytic efficiency obtained with this system compared to other ZBC systems assisted by mediators and co-catalysts establishes the critical importance of interfacial solid-solid contact and the well-balanced position of energy levels for solar-water splitting. The promising solar-water splitting under optimum composition conditions highlighted the relationship between effective charge separation and composition.

  10. Vibration Analysis of a Split Path Gearbox

    NASA Technical Reports Server (NTRS)

    Krantz, Timothy L.; Rashidi, Majid

    1995-01-01

    Split path gearboxes can be attractive alternatives to the common planetary designs for rotorcraft, but because they have seen little use, they are relatively high risk designs. To help reduce the risk of fielding a rotorcraft with a split path gearbox, the vibration and dynamic characteristics of such a gearbox were studied. A mathematical model was developed by using the Lagrangian method, and it was applied to study the effect of three design variables on the natural frequencies and vibration energy of the gearbox. The first design variable, shaft angle, had little influence on the natural frequencies. The second variable, mesh phasing, had a strong effect on the levels of vibration energy, with phase angles of 0 deg and 180 deg producing low vibration levels. The third design variable, the stiffness of the shafts connecting the spur gears to the helical pinions, strongly influenced the natural frequencies of some of the vibration modes, including two of the dominant modes. We found that, to achieve the lowest level of vibration energy, the natural frequencies of these two dominant modes should be less than those of the main excitation sources.

  11. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Three side-by-side lab houses were built, instrumented and monitored in an effort to determine through field testing and analysis the relative contributions of select technologies toward reducing energy use in new manufactured homes.The lab houses in Russellville, Alabama compared the performance of three homes built to varying levels of thermal integrity and HVAC equipment: a baseline HUD-code home equipped with an electric furnace and a split system air conditioner; an ENERGY STAR manufactured home with an enhanced thermal envelope and traditional split system heat pump; and a house designed to qualify for Zero Energy Ready Home designation with a ductlessmore » mini-split heat pump with transfer fan distribution system in place of the traditional duct system for distribution. Experiments were conducted in the lab houses to evaluate impact on energy and comfort of interior door position, window blind position and transfer fan operation. The report describes results of tracer gas and co-heating tests and presents calculation of the heat pump coefficient of performance for both the traditional heat pump and the ductless mini-split. A series of calibrated energy models was developed based on measured data and run in three locations in the Southeast to compare annual energy usage of the three homes.« less

  12. An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.

    PubMed

    Qu, Chen; Bowman, Joel M

    2016-09-14

    We report a full-dimensional, permutationally invariant potential energy surface (PES) for the cyclic formic acid dimer. This PES is a least-squares fit to 13475 CCSD(T)-F12a/haTZ (VTZ for H and aVTZ for C and O) energies. The energy-weighted, root-mean-square fitting error is 11 cm -1 and the barrier for the double-proton transfer on the PES is 2848 cm -1 , in good agreement with the directly-calculated ab initio value of 2853 cm -1 . The zero-point vibrational energy of 15 337 ± 7 cm -1 is obtained from diffusion Monte Carlo calculations. Energies of fundamentals of fifteen modes are calculated using the vibrational self-consistent field and virtual-state configuration interaction method. The ground-state tunneling splitting is computed using a reduced-dimensional Hamiltonian with relaxed potentials. The highest-level, four-mode coupled calculation gives a tunneling splitting of 0.037 cm -1 , which is roughly twice the experimental value. The tunneling splittings of (DCOOH) 2 and (DCOOD) 2 from one to three mode calculations are, as expected, smaller than that for (HCOOH) 2 and consistent with experiment.

  13. Investigations on the effects of the Stark splitting on the fluorescence behaviors in Yb3+-doped silicate, tellurite, germanate, and phosphate glasses

    NASA Astrophysics Data System (ADS)

    Zhang, Liaolin; Xia, Yu; Shen, Xiao; Yang, Runlan; Wei, Wei

    2018-01-01

    In this work, we systematically studied the spectroscopic characteristics of Yb3+ doped germanate, phosphate, silicate, and tellurite glasses. The emission peak beyond 976 nm showed irregular shift from 1001 nm to 1023 nm when Yb3+ in different glass matrices. It was associated with the Stark splitting of 2F7/2 and the emission intensities ratio between the transition from the lowest Stark splitting energy level of 2F5/2 to the Stark splitting energy levels of 2F7/2, e to b and that of e to d. Larger Stark splitting of 2F7/2 results in the red-shift of the near infrared emission band at room temperature and larger ratio results in the blue-shift of emission band. The fluorescence lifetimes of Yb3+ doped germanate, phosphate, silicate, and tellurite glasses were measured to be 0.94, 0.82, 1.51, and 0.66 ms, respectively. The fluorescence lifetime was associated with the reabsorption of Yb3+, which larger absorption cross section at the emission band results in larger reabsorption, then leads to the shorter near infrared fluorescence lifetime.

  14. The vibration-rotation-tunneling levels of N2-H2O and N2-D2O.

    PubMed

    Wang, Xiao-Gang; Carrington, Tucker

    2015-07-14

    In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

  15. The vibration-rotation-tunneling levels of N2-H2O and N2-D2O

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Carrington, Tucker

    2015-07-01

    In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

  16. Mode-sum regularization of ⟨ϕ2⟩ in the angular-splitting method

    NASA Astrophysics Data System (ADS)

    Levi, Adam; Ori, Amos

    2016-08-01

    The computation of the renormalized stress-energy tensor or ⟨ϕ2⟩ren in curved spacetime is a challenging task, at both the conceptual and technical levels. Recently we developed a new approach to compute such renormalized quantities in asymptotically flat curved spacetimes, based on the point-splitting procedure. Our approach requires the spacetime to admit some symmetry. We already implemented this approach to compute ⟨ϕ2⟩ren in a stationary spacetime using t splitting, namely splitting in the time-translation direction. Here we present the angular-splitting version of this approach, aimed for computing renormalized quantities in a general (possibly dynamical) spherically symmetric spacetime. To illustrate how the angular-splitting method works, we use it here to compute ⟨ϕ2⟩ren for a quantum massless scalar field in Schwarzschild background, in various quantum states (Boulware, Unruh, and Hartle-Hawking states). We find excellent agreement with the results obtained from the t -splitting variant and also with other methods. Our main goal in pursuing this new mode-sum approach was to enable the computation of the renormalized stress-energy tensor in a dynamical spherically symmetric background, e.g. an evaporating black hole. The angular-splitting variant presented here is most suitable to this purpose.

  17. Comparison of holographic lens and filter systems for lateral spectrum splitting

    NASA Astrophysics Data System (ADS)

    Vorndran, Shelby; Chrysler, Benjamin; Kostuk, Raymond K.

    2016-09-01

    Spectrum splitting is an approach to increasing the conversion efficiency of a photovoltaic (PV) system. Several methods can be used to perform this function which requires efficient spatial separation of different spectral bands of the incident solar radiation. In this paper several of holographic methods for implementing spectrum splitting are reviewed along with the benefits and disadvantages associated with each approach. The review indicates that a volume holographic lens has many advantages for spectrum splitting in terms of both power conversion efficiency and energy yield. A specific design for a volume holographic spectrum splitting lens is discussed for use with high bandgap InGaP and low bandgap silicon PV cells. The holographic lenses are modeled using rigorous coupled wave analysis, and the optical efficiency is evaluated using non-sequential raytracing. A proof-of-concept off-axis holographic lens is also recorded in dichromated gelatin film and the spectral diffraction efficiency of the hologram is measured with multiple laser sources across the diffracted spectral band. The experimental volume holographic lens (VHL) characteristics are compared to an ideal spectrum splitting filter in terms of power conversion efficiency and energy yield in environments with high direct normal incidence (DNI) illumination and high levels of diffuse illumination. The results show that the experimental VHL can achieve 62.5% of the ideal filter power conversion efficiency, 64.8% of the ideal filter DNI environment energy yield, and 57.7% of the ideal diffuse environment energy yield performance.

  18. Search for the 73Ga ground-state doublet splitting in the β decay of 73Zn

    NASA Astrophysics Data System (ADS)

    Vedia, V.; Paziy, V.; Fraile, L. M.; Mach, H.; Walters, W. B.; Aprahamian, A.; Bernards, C.; Briz, J. A.; Bucher, B.; Chiara, C. J.; Dlouhý, Z.; Gheorghe, I.; GhiÅ£ǎ, D.; Hoff, P.; Jolie, J.; Köster, U.; Kurcewicz, W.; Licǎ, R.; Mǎrginean, N.; Mǎrginean, R.; Olaizola, B.; Régis, J.-M.; Rudigier, M.; Sava, T.; Simpson, G. S.; Stǎnoiu, M.; Stroe, L.

    2017-09-01

    The existence of two close-lying nuclear states in 73Ga has recently been experimentally determined: a 1 /2- spin-parity for the ground state was measured in a laser spectroscopy experiment, while a Jπ=3 /2- level was observed in transfer reactions. This scenario is supported by Coulomb excitation studies, which set a limit for the energy splitting of 0.8 keV. In this work, we report on the study of the excited structure of 73Ga populated in the β decay of 73Zn produced at ISOLDE, CERN. Using β -gated, γ -ray singles, and γ -γ coincidences, we have searched for energy differences to try to delimit the ground-state energy splitting, providing a more stringent energy difference limit. Three new half-lives of excited states in 73Ga have been measured using the fast-timing method with LaBr3(Ce) detectors. From our study, we help clarify the excited structure of 73Ga and we extend the existing 73Zn decay to 73Ga with 8 new energy levels and 35 γ transitions. We observe a 195-keV transition consistent with a γ ray de-exciting a short-lived state in the β -decay parent 73Zn.

  19. Theory of chaos regularization of tunneling in chaotic quantum dots.

    PubMed

    Lee, Ming-Jer; Antonsen, Thomas M; Ott, Edward; Pecora, Louis M

    2012-11-01

    Recent numerical experiments of Pecora et al. [Phys. Rev. E 83, 065201 (2011)] have investigated tunneling between two-dimensional symmetric double wells separated by a tunneling barrier. The wells were bounded by hard walls and by the potential barrier which was created by a step increase from the zero potential within a well to a uniform barrier potential within the barrier region, which is a situation potentially realizable in the context of quantum dots. Numerical results for the splitting of energy levels between symmetric and antisymmetric eigenstates were calculated. It was found that the splittings vary erratically from state to state, and the statistics of these variations were studied for different well shapes with the fluctuation levels being much less in chaotic wells than in comparable nonchaotic wells. Here we develop a quantitative theory for the statistics of the energy level splittings for chaotic wells. Our theory is based on the random plane wave hypothesis of Berry. While the fluctuation statistics are very different for chaotic and nonchaotic well dynamics, we show that the mean splittings of differently shaped wells, including integrable and chaotic wells, are the same if their well areas and barrier parameters are the same. We also consider the case of tunneling from a single well into a region with outgoing quantum waves.

  20. Entropy Splitting for High Order Numerical Simulation of Vortex Sound at Low Mach Numbers

    NASA Technical Reports Server (NTRS)

    Mueller, B.; Yee, H. C.; Mansour, Nagi (Technical Monitor)

    2001-01-01

    A method of minimizing numerical errors, and improving nonlinear stability and accuracy associated with low Mach number computational aeroacoustics (CAA) is proposed. The method consists of two levels. From the governing equation level, we condition the Euler equations in two steps. The first step is to split the inviscid flux derivatives into a conservative and a non-conservative portion that satisfies a so called generalized energy estimate. This involves the symmetrization of the Euler equations via a transformation of variables that are functions of the physical entropy. Owing to the large disparity of acoustic and stagnation quantities in low Mach number aeroacoustics, the second step is to reformulate the split Euler equations in perturbation form with the new unknowns as the small changes of the conservative variables with respect to their large stagnation values. From the numerical scheme level, a stable sixth-order central interior scheme with a third-order boundary schemes that satisfies the discrete analogue of the integration-by-parts procedure used in the continuous energy estimate (summation-by-parts property) is employed.

  1. Ground-state splitting of ultrashallow thermal donors with negative central-cell corrections in silicon

    NASA Astrophysics Data System (ADS)

    Hara, Akito; Awano, Teruyoshi

    2017-06-01

    Ultrashallow thermal donors (USTDs), which consist of light element impurities such as carbon, hydrogen, and oxygen, have been found in Czochralski silicon (CZ Si) crystals. To the best of our knowledge, these are the shallowest hydrogen-like donors with negative central-cell corrections in Si. We observed the ground-state splitting of USTDs by far-infrared optical absorption at different temperatures. The upper ground-state levels are approximately 4 meV higher than the ground-state levels. This energy level splitting is also consistent with that obtained by thermal excitation from the ground state to the upper ground state. This is direct evidence that the wave function of the USTD ground state is made up of a linear combination of conduction band minimums.

  2. Parity doublet structures in doubly-odd 216Fr

    NASA Astrophysics Data System (ADS)

    Pragati, Â.; Deo, A. Y.; Tandel, S. K.; Bhattacharjee, S. S.; Chakraborty, S.; Rai, S.; Wahid, S. G.; Kumar, S.; Muralithar, S.; Singh, R. P.; Bala, Indu; Garg, Ritika; Jain, A. K.

    2018-04-01

    Parity doublet structures are established in 216Fr, which lies at the lower boundary of enhanced octupole collectivity in the trans-lead region. The newly identified levels are established as the simplex partner of a previously reported band leading to parity doublets with small (˜55 keV) average energy splitting, a feature typical of nuclei with near-static octupole deformation. The observed levels do not follow a regular pattern of rotational bands, indicating low quadrupole collectivity. However, enhanced octupole correlations are evident from the small energy splitting and large B(E1)/B(E2) values. Staggering in E1 transition energies and B(E1)/B(E2) ratios is noted. The enhancement of octupole correlations in 216Fr is attributed to the availability of a neutron orbital with a K = 3/2 component.

  3. Experimental evidence of hot carriers solar cell operation in multi-quantum wells heterostructures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rodière, Jean; Lombez, Laurent, E-mail: laurent.lombez@chimie-paristech.fr; Le Corre, Alain

    We investigated a semiconductor heterostructure based on InGaAsP multi quantum wells (QWs) using optical characterizations and demonstrate its potential to work as a hot carrier cell absorber. By analyzing photoluminescence spectra, the quasi Fermi level splitting Δμ and the carrier temperature are quantitatively measured as a function of the excitation power. Moreover, both thermodynamics values are measured at the QWs and the barrier emission energy. High values of Δμ are found for both transition, and high carrier temperature values in the QWs. Remarkably, the quasi Fermi level splitting measured at the barrier energy exceeds the absorption threshold of the QWs.more » This indicates a working condition beyond the classical Shockley-Queisser limit.« less

  4. Quantitative analysis on electric dipole energy in Rashba band splitting.

    PubMed

    Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

    2015-09-01

    We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime.

  5. Quantitative analysis on electric dipole energy in Rashba band splitting

    PubMed Central

    Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

    2015-01-01

    We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime. PMID:26323493

  6. Solid-State Laser Research Report: Energy Transfer in Non-Uniform Codoped Crystals.

    DTIC Science & Technology

    1988-03-01

    mathematical steps reported in this document are contained in the reviewed classified mid-task report P-1970 which is not available to the open...splits the d lvels of the chromium ion such that the "T2 level is considerably higher in energy than the E level. Since the ground-state is A 2 , the E A 2

  7. An Integrated Device View on Photo-Electrochemical Solar-Hydrogen Generation.

    PubMed

    Modestino, Miguel A; Haussener, Sophia

    2015-01-01

    Devices that directly capture and store solar energy have the potential to significantly increase the share of energy from intermittent renewable sources. Photo-electrochemical solar-hydrogen generators could become an important contributor, as these devices can convert solar energy into fuels that can be used throughout all sectors of energy. Rather than focusing on scientific achievement on the component level, this article reviews aspects of overall component integration in photo-electrochemical water-splitting devices that ultimately can lead to deployable devices. Throughout the article, three generalized categories of devices are considered with different levels of integration and spanning the range of complete integration by one-material photo-electrochemical approaches to complete decoupling by photovoltaics and electrolyzer devices. By using this generalized framework, we describe the physical aspects, device requirements, and practical implications involved with developing practical photo-electrochemical water-splitting devices. Aspects reviewed include macroscopic coupled multiphysics device models, physical device demonstrations, and economic and life cycle assessments, providing the grounds to draw conclusions on the overall technological outlook.

  8. Recent Progress in Energy-Driven Water Splitting.

    PubMed

    Tee, Si Yin; Win, Khin Yin; Teo, Wee Siang; Koh, Leng-Duei; Liu, Shuhua; Teng, Choon Peng; Han, Ming-Yong

    2017-05-01

    Hydrogen is readily obtained from renewable and non-renewable resources via water splitting by using thermal, electrical, photonic and biochemical energy. The major hydrogen production is generated from thermal energy through steam reforming/gasification of fossil fuel. As the commonly used non-renewable resources will be depleted in the long run, there is great demand to utilize renewable energy resources for hydrogen production. Most of the renewable resources may be used to produce electricity for driving water splitting while challenges remain to improve cost-effectiveness. As the most abundant energy resource, the direct conversion of solar energy to hydrogen is considered the most sustainable energy production method without causing pollutions to the environment. In overall, this review briefly summarizes thermolytic, electrolytic, photolytic and biolytic water splitting. It highlights photonic and electrical driven water splitting together with photovoltaic-integrated solar-driven water electrolysis.

  9. Anomalous Suppression of Valley Splittings in Lead Salt Nanocrystals

    NASA Astrophysics Data System (ADS)

    Poddubny, Alexander; Nestoklon, Mikhail; Goupalov, Serguei

    2012-02-01

    Atomistic sp^3d^5s^* tight-binding theory of PbSe and PbS nanocrystals is developed. It is demonstrated, that the valley splittings of confined electrons and holes strongly and peculiarly depend on the geometry of a nanocrystal. When the nanocrystal lacks a microscopic center of inversion and has Td symmetry, the splittings are strongly suppressed as compared to the more symmetric nanocrystals with Oh symmetry, having an inversion center. This effect is quite unusual because typically a higher symmetry of a physical system implies a higher degeneracy of its energy levels, while in our case the suppression of the splittings occurs in NCs having lower symmetry. Nevertheless, we were able to explain this puzzling behavior using mathematical apparatus of the group theory.

  10. Temperature dependent energy levels of methylammonium lead iodide perovskite

    NASA Astrophysics Data System (ADS)

    Foley, Benjamin J.; Marlowe, Daniel L.; Sun, Keye; Saidi, Wissam A.; Scudiero, Louis; Gupta, Mool C.; Choi, Joshua J.

    2015-06-01

    Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.

  11. Quantum correlations and violation of the Bell inequality induced by an external field in a two-photon radiative cascade

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yuan Luqi; Das, Sumanta

    2011-06-15

    We study the polarization-dependent second-order correlation of a pair of photons emitted in a four-level radiative cascade driven by an external field. It is found that the quantum correlations of the emitted photons, degraded by the energy splitting of the intermediate levels in the radiative cascade, can be efficiently revived by a far-detuned external field. The physics of this revival is linked to an induced Stark shift and the formation of dressed states in the system by the nonresonant external field. Furthermore, we investigated the competition between the effect of the coherent external field and incoherent dephasing of the intermediatemore » levels. We find that the degradation of quantum correlations due to the incoherent dephasing can be contained for small dephasing with the external field. We also studied the nonlocality of the correlations by evaluating the Bell inequality in the linear polarization basis for the radiative cascade. We find that the Bell parameter decreases rapidly with increase in the intermediate-level energy splitting or incoherent dephasing rate to the extent that there is no violation. However, the presence of an external field leads to control over the degrading mechanisms and preservation of nonlocal correlation among the photons. This in turn can induce a violation of Bell's inequality in the radiative cascade for arbitrary intermediate-level splitting and small incoherent dephasing.« less

  12. 10 CFR 26.113 - Splitting the urine specimen.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 1 2013-01-01 2013-01-01 false Splitting the urine specimen. 26.113 Section 26.113 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.113 Splitting the urine specimen. (a) Licensees and other entities may, but are not required to, use split...

  13. 10 CFR 26.135 - Split specimens.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 1 2013-01-01 2013-01-01 false Split specimens. 26.135 Section 26.135 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Licensee Testing Facilities § 26.135 Split specimens. (a) If the FFD program follows split-specimen procedures, as described in § 26.113, the licensee testing...

  14. 10 CFR 26.113 - Splitting the urine specimen.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Splitting the urine specimen. 26.113 Section 26.113 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.113 Splitting the urine specimen. (a) Licensees and other entities may, but are not required to, use split...

  15. 10 CFR 26.135 - Split specimens.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 1 2014-01-01 2014-01-01 false Split specimens. 26.135 Section 26.135 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Licensee Testing Facilities § 26.135 Split specimens. (a) If the FFD program follows split-specimen procedures, as described in § 26.113, the licensee testing...

  16. 10 CFR 26.135 - Split specimens.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Split specimens. 26.135 Section 26.135 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Licensee Testing Facilities § 26.135 Split specimens. (a) If the FFD program follows split-specimen procedures, as described in § 26.113, the licensee testing...

  17. 10 CFR 26.113 - Splitting the urine specimen.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 1 2014-01-01 2014-01-01 false Splitting the urine specimen. 26.113 Section 26.113 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.113 Splitting the urine specimen. (a) Licensees and other entities may, but are not required to, use split...

  18. 10 CFR 26.113 - Splitting the urine specimen.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Splitting the urine specimen. 26.113 Section 26.113 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.113 Splitting the urine specimen. (a) Licensees and other entities may, but are not required to, use split...

  19. 10 CFR 26.135 - Split specimens.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Split specimens. 26.135 Section 26.135 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Licensee Testing Facilities § 26.135 Split specimens. (a) If the FFD program follows split-specimen procedures, as described in § 26.113, the licensee testing...

  20. 10 CFR 26.135 - Split specimens.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Split specimens. 26.135 Section 26.135 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Licensee Testing Facilities § 26.135 Split specimens. (a) If the FFD program follows split-specimen procedures, as described in § 26.113, the licensee testing...

  1. 10 CFR 26.113 - Splitting the urine specimen.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Splitting the urine specimen. 26.113 Section 26.113 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.113 Splitting the urine specimen. (a) Licensees and other entities may, but are not required to, use split...

  2. Recent Progress in Energy‐Driven Water Splitting

    PubMed Central

    Tee, Si Yin; Win, Khin Yin; Teo, Wee Siang; Koh, Leng‐Duei; Liu, Shuhua; Teng, Choon Peng

    2017-01-01

    Hydrogen is readily obtained from renewable and non‐renewable resources via water splitting by using thermal, electrical, photonic and biochemical energy. The major hydrogen production is generated from thermal energy through steam reforming/gasification of fossil fuel. As the commonly used non‐renewable resources will be depleted in the long run, there is great demand to utilize renewable energy resources for hydrogen production. Most of the renewable resources may be used to produce electricity for driving water splitting while challenges remain to improve cost‐effectiveness. As the most abundant energy resource, the direct conversion of solar energy to hydrogen is considered the most sustainable energy production method without causing pollutions to the environment. In overall, this review briefly summarizes thermolytic, electrolytic, photolytic and biolytic water splitting. It highlights photonic and electrical driven water splitting together with photovoltaic‐integrated solar‐driven water electrolysis. PMID:28546906

  3. Theoretical study on the anion photoelectron spectra of Ln(COT)2- including the spin-orbit effects

    NASA Astrophysics Data System (ADS)

    Nakajo, Erika; Yabushita, Satoshi

    2017-06-01

    The multiplet level splittings for both anion and neutral sandwich complexes Ln(COT)2 (Ln = Ce-Yb, COT = 1,3,5,7-cyclooctatetraene) were calculated with spin-orbit interactions to analyze their anion photoelectron spectra. The theoretically simulated spectra obtained with these energies and the pole strengths are generally consistent with the experimental spectra for the X peak. The magnitudes of the energy splittings, relative peak intensities, and their Ln dependence are reproduced. In comparison to our previous calculations, the inclusion of spin-orbit interactions with the SO-MCQDPT2 method makes the simulated spectra more consistent with the results of the experiment.

  4. Recent Progress in Metal‐Organic Frameworks for Applications in Electrocatalytic and Photocatalytic Water Splitting

    PubMed Central

    Wang, Wei; Xu, Xiaomin; Zhou, Wei

    2017-01-01

    The development of clean and renewable energy materials as alternatives to fossil fuels is foreseen as a potential solution to the crucial problems of environmental pollution and energy shortages. Hydrogen is an ideal energy material for the future, and water splitting using solar/electrical energy is one way to generate hydrogen. Metal‐organic frameworks (MOFs) are a class of porous materials with unique properties that have received rapidly growing attention in recent years for applications in water splitting due to their remarkable design flexibility, ultra‐large surface‐to‐volume ratios and tunable pore channels. This review focuses on recent progress in the application of MOFs in electrocatalytic and photocatalytic water splitting for hydrogen generation, including both oxygen and hydrogen evolution. It starts with the fundamentals of electrocatalytic and photocatalytic water splitting and the related factors to determine the catalytic activity. The recent progress in the exploitation of MOFs for water splitting is then summarized, and strategies for designing MOF‐based catalysts for electrocatalytic and photocatalytic water splitting are presented. Finally, major challenges in the field of water splitting are highlighted, and some perspectives of MOF‐based catalysts for water splitting are proposed. PMID:28435777

  5. What is and what is not electromagnetically induced transparency in whispering-gallery microcavities.

    PubMed

    Peng, Bo; Özdemir, Sahin Kaya; Chen, Weijian; Nori, Franco; Yang, Lan

    2014-10-24

    There has been an increasing interest in all-optical analogues of electromagnetically induced transparency and Autler-Townes splitting. Despite the differences in their underlying physics, both electromagnetically induced transparency and Autler-Townes splitting are quantified by a transparency window in the absorption or transmission spectrum, which often leads to a confusion about its origin. While the transparency window in electromagnetically induced transparency is a result of Fano interference among different transition pathways, in Autler-Townes splitting it is the result of strong field-driven interactions leading to the splitting of energy levels. Being able to tell objectively whether an observed transparency window is because of electromagnetically induced transparency or Autler-Townes splitting is crucial for applications and for clarifying the physics involved. Here we demonstrate the pathways leading to electromagnetically induced transparency, Fano resonances and Autler-Townes splitting in coupled whispering-gallery-mode resonators. Moreover, we report the application of the Akaike Information Criterion discerning between all-optical analogues of electromagnetically induced transparency and Autler-Townes splitting and clarifying the transition between them.

  6. Current Fluctuations in a Semiconductor Quantum Dot with Large Energy Spacing

    NASA Astrophysics Data System (ADS)

    Jeong, Heejun

    2014-12-01

    We report on the measurements of the current noise properties of electron tunneling through a split-gate GaAs quantum dot with large energy level spacing and a small number of electrons. Shot noise is full Poissonian or suppressed in the Coulomb-blockaded regime, while it is enhanced to show as super-Poissonian when an excited energy level is involved by finite source-drain bias. The results can be explained by multiple Poissonian processes through multilevel sequential tunneling.

  7. Using a biased qubit to probe complex systems

    NASA Astrophysics Data System (ADS)

    Pollock, Felix A.; Checińska, Agata; Pascazio, Saverio; Modi, Kavan

    2016-09-01

    Complex mesoscopic systems play increasingly important roles in modern science, from understanding biological functions at the molecular level to designing solid-state information processing devices. The operation of these systems typically depends on their energetic structure, yet probing their energy landscape can be extremely challenging; they have many degrees of freedom, which may be hard to isolate and measure independently. Here, we show that a qubit (a two-level quantum system) with a biased energy splitting can directly probe the spectral properties of a complex system, without knowledge of how they couple. Our work is based on the completely positive and trace-preserving map formalism, which treats any unknown dynamics as a "black-box" process. This black box contains information about the system with which the probe interacts, which we access by measuring the survival probability of the initial state of the probe as function of the energy splitting and the process time. Fourier transforming the results yields the energy spectrum of the complex system. Without making assumptions about the strength or form of its coupling, our probe could determine aspects of a complex molecule's energy landscape as well as, in many cases, test for coherent superposition of its energy eigenstates.

  8. The effect of exchange interaction on quasiparticle Landau levels in narrow-gap quantum well heterostructures.

    PubMed

    Krishtopenko, S S; Gavrilenko, V I; Goiran, M

    2012-04-04

    Using the 'screened' Hartree-Fock approximation based on the eight-band k·p Hamiltonian, we have extended our previous work (Krishtopenko et al 2011 J. Phys.: Condens. Matter 23 385601) on exchange enhancement of the g-factor in narrow-gap quantum well heterostructures by calculating the exchange renormalization of quasiparticle energies, the density of states at the Fermi level and the quasiparticle g-factor for different Landau levels overlapping. We demonstrate that exchange interaction yields more pronounced Zeeman splitting of the density of states at the Fermi level and leads to the appearance of peak-shaped features in the dependence of the Landau level energies on the magnetic field at integer filling factors. We also find that the quasiparticle g-factor does not reach the maximum value at odd filling factors in the presence of large overlapping of spin-split Landau levels. We advance an argument that the behavior of the quasiparticle g-factor in weak magnetic fields is defined by a random potential of impurities in narrow-gap heterostructures. © 2012 IOP Publishing Ltd

  9. Stimulated neutrino transformation with sinusoidal density profiles

    DOE PAGES

    Kneller, J. P.; McLaughlin, G. C.; Patton, K. M.

    2013-03-28

    Large amplitude oscillations between the states of a quantum system can be stimulated by sinusoidal external potentials with frequencies that are similar to the energy level splitting of the states or a fraction thereof. Situations where the applied frequency is equal to an integer fraction of the energy level splittings are known as parametric resonances. We investigate this effect for neutrinos both analytically and numerically for the case of arbitrary numbers of neutrino flavors. We look for environments where the effect may be observed and find that supernovae are the one realistic possibility due to the necessity of both largemore » densities and large amplitude fluctuations. In conclusion, the comparison of numerical and analytical results of neutrino propagation through a model supernova reveals that it is possible to predict the locations and strengths of the stimulated transitions that occur.« less

  10. Tunneling Splittings in Vibronic Structure of CH_3F^+ ( X^2E): Studied by High Resolution Photoelectron Spectra and AB Initio Theoretical Method

    NASA Astrophysics Data System (ADS)

    Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua

    2013-06-01

    We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).

  11. Quantum effect on the energy levels of Eu2+ doped K2Ca2(SO4)3 nanoparticles.

    PubMed

    Salah, Numan; Habib, Sami S; Khan, Zishan H

    2010-09-01

    Quantum confinement effect on the energy levels of Eu(2+) doped K(2)Ca(2)(SO(4))(3) nanoparticles has been observed. The broad photoluminescence (PL) emission band of Eu(2+) doped K(2)Ca(2)(SO(4))(3) microcrystalline sample observed at ∼436 nm is found to split into two narrow well resolved bands, located at 422 and 445 nm in the nanostructure form of this material. This has been attributed to the reduction in the crystal field strength of the nanomaterials, which results in widening the energy band gap and splitting the broad 4f(6)5d energy level of Eu(2+). Energy band gap values of the micro and nanocrystalline K(2)Ca(2)(SO(4))(3) samples were also determined by measuring the UV-visible absorption spectra. These values are 3.34 and 3.44 eV for the micro and nanocrystalline samples, respectively. These remarkable results suggest that activators having wide emission bands might be subjected to weak crystal strength via nanostructure materials to modify their electronic transitions. This might prove a powerful technique for producing new-advanced materials for use in the fields of solid state lasers and optoelectronic devises.

  12. Are Ducted Mini-Splits Worth It?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Winkler, Jonathan M; Maguire, Jeffrey B; Metzger, Cheryn E.

    Ducted mini-split heat pumps are gaining popularity in some regions of the country due to their energy-efficient specifications and their ability to be hidden from sight. Although product and install costs are typically higher than the ductless mini-split heat pumps, this technology is well worth the premium for some homeowners who do not like to see an indoor unit in their living area. Due to the interest in this technology by local utilities and homeowners, the Bonneville Power Administration (BPA) has funded the Pacific Northwest National Laboratory (PNNL) and the National Renewable Energy Laboratory (NREL) to develop capabilities within themore » Building Energy Optimization (BEopt) tool to model ducted mini-split heat pumps. After the fundamental capabilities were added, energy-use results could be compared to other technologies that were already in BEopt, such as zonal electric resistance heat, central air source heat pumps, and ductless mini-split heat pumps. Each of these technologies was then compared using five prototype configurations in three different BPA heating zones to determine how the ducted mini-split technology would perform under different scenarios. The result of this project was a set of EnergyPlus models representing the various prototype configurations in each climate zone. Overall, the ducted mini-split heat pumps saved about 33-60% compared to zonal electric resistance heat (with window AC systems modeled in the summer). The results also showed that the ducted mini-split systems used about 4% more energy than the ductless mini-split systems, which saved about 37-64% compared to electric zonal heat (depending on the prototype and climate).« less

  13. The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.

    PubMed

    Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe

    2007-01-14

    Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.

  14. Matter distribution and spin-orbit force in spherical nuclei

    NASA Astrophysics Data System (ADS)

    Co', G.; Anguiano, M.; De Donno, V.; Lallena, A. M.

    2018-03-01

    We investigate the possibility that some nuclei show density distributions with a depletion in the center, a semibubble structure, by using a Hartree-Fock plus Bardeen-Cooper-Schrieffer approach. We separately study the proton, neutron, and matter distributions in 37 spherical nuclei mainly in the s -d shell region. We found a relation between the semibubble structure and the energy splitting of spin-orbit partner single particle levels. The presence of semibubble structure reduces this splitting, and we study its consequences on the excitation spectrum of the nuclei under investigation by using a quasiparticle random-phase-approximation approach. The excitation energies of the low-lying 4+ states can be related to the presence of semibubble structure in nuclei.

  15. Surface properties of lead-free halide double perovskites: Possible visible-light photo-catalysts for water splitting

    NASA Astrophysics Data System (ADS)

    Volonakis, George; Giustino, Feliciano

    2018-06-01

    Halide double perovskites based on combinations of monovalent and trivalent cations have been proposed as promising lead-free alternatives to lead halide perovskites. Among the newly synthesized compounds Cs2BiAgCl6, Cs2BiAgBr6, Cs2SbAgCl6, and Cs2InAgCl6, some exhibit bandgaps in the visible range and all have low carrier effective masses; therefore, these materials constitute potential candidates for various opto-electronic applications. Here, we use first-principles calculations to investigate the electronic properties of the surfaces of these four compounds and determine, for the first time, their ionization potential and electron affinity. We find that the double perovskites Cs2BiAgCl6 and Cs2BiAgBr6 are potentially promising materials for photo-catalytic water splitting, while Cs2InAgCl6 and Cs2SbAgCl6 would require controlling their surface termination to obtain energy levels appropriate for water splitting. The energy of the halogen p orbitals is found to control the conduction band level; therefore, we propose that mixed halides could be used to fine-tune the electronic affinity.

  16. Influence of Bi-related impurity states on the bandgap and spin-orbit splitting energy of dilute III-V-Bi alloys: InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix

    NASA Astrophysics Data System (ADS)

    Samajdar, D. P.; Dhar, S.

    2016-01-01

    Valence Band Anticrossing (VBAC) Model is used to calculate the changes in band structure of Bi containing alloys such as InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix due to the incorporation of dilute concentrations of bismuth. The coupling parameter CBi which gives the magnitude of interaction of Bi impurity states with the LH, HH and SO sub bands in VBAC depends on the increase in the HH/LH related energy level EHH/LH+, location of the Bi related impurity level EBi and valence band offset ΔEVBM between the endpoint compounds in the corresponding III-V-Bi. The reduction in band gap as well as the enhancement of the spin-orbit splitting energy is well explained using this model and the calculated results are compared with the results of Virtual Crystal Approximation (VCA) and Density Functional Theory (DFT) calculations, as well as with the available experimental data and are found to have good agreement. The incorporation of Bi mainly perturbs the valence band due to the interaction of the Bi impurity states with the HH, LH and SO bands. The lowering of the conduction band minimum (CBM) due to VCA is added with the upward movement of the HH/LH bands to get the total reduction in band gap for the bismides. The valence band shifts of 31.9, 32.5, 20.8 and 12.4 meV/at%Bi for InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix respectively constitute 65, 76, 59 and 31% of the total band gap reduction and the rest is the contribution of the conduction band shift. The spin-orbit splitting energy also shows significant increase with the maximum change in InPBi and the minimum in InSbBi. The same is true for Ga containing bismides if we make a comparison with the available values for GaAsBi and GaPBi with that of GaSbBi. It has also been observed that the increase in splitting energy is greater in case of the bismides such as InAsBi, InPBi and GaAsBi than the bismides such as InSbBi and GaSbBi with the parent substrates having higher values of splitting energy. This may be due to the proximity of the Bi related impurity level EBi with the SO bands of InAs, InP and GaAs.

  17. Measurement of kT splitting scales in W→ℓν events at [Formula: see text] with the ATLAS detector.

    PubMed

    Aad, G; Abajyan, T; Abbott, B; Abdallah, J; Abdel Khalek, S; Abdelalim, A A; Abdinov, O; Aben, R; Abi, B; Abolins, M; AbouZeid, O S; Abramowicz, H; Abreu, H; Acharya, B S; Adamczyk, L; Adams, D L; Addy, T N; Adelman, J; Adomeit, S; Adragna, P; Adye, T; Aefsky, S; Aguilar-Saavedra, J A; Agustoni, M; Ahlen, S P; Ahles, F; Ahmad, A; Ahsan, M; Aielli, G; Åkesson, T P A; Akimoto, G; Akimov, A V; Alam, M A; Albert, J; Albrand, S; Aleksa, M; Aleksandrov, I N; Alessandria, F; Alexa, C; Alexander, G; Alexandre, G; Alexopoulos, T; Alhroob, M; Aliev, M; Alimonti, G; Alison, J; Allbrooke, B M M; Allison, L J; Allport, P P; Allwood-Spiers, S E; Almond, J; Aloisio, A; Alon, R; Alonso, A; Alonso, F; Altheimer, A; Alvarez Gonzalez, B; Alviggi, M G; Amako, K; Amelung, C; Ammosov, V V; Amor Dos Santos, S P; Amorim, A; Amoroso, S; Amram, N; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anderson, K J; Andreazza, A; Andrei, V; Anduaga, X S; Angelidakis, S; Anger, P; Angerami, A; Anghinolfi, F; Anisenkov, A; Anjos, N; Annovi, A; Antonaki, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoki, M; Aperio Bella, L; Apolle, R; Arabidze, G; Aracena, I; Arai, Y; Arce, A T H; Arfaoui, S; Arguin, J-F; Argyropoulos, S; Arik, E; Arik, M; Armbruster, A J; Arnaez, O; Arnal, V; Artamonov, A; Artoni, G; Arutinov, D; Asai, S; Ask, S; Åsman, B; Asquith, L; Assamagan, K; Astalos, R; Astbury, A; Atkinson, M; Auerbach, B; Auge, E; Augsten, K; Aurousseau, M; Avolio, G; Axen, D; Azuelos, G; Azuma, Y; Baak, M A; Baccaglioni, G; Bacci, C; Bach, A M; Bachacou, H; Bachas, K; Backes, M; Backhaus, M; Backus Mayes, J; Badescu, E; Bagnaia, P; Bai, Y; Bailey, D C; Bain, T; Baines, J T; Baker, O K; Baker, S; Balek, P; Balli, F; Banas, E; Banerjee, P; Banerjee, Sw; Banfi, D; Bangert, A; Bansal, V; Bansil, H S; Barak, L; Baranov, S P; Barber, T; Barberio, E L; Barberis, D; Barbero, M; Bardin, D Y; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnett, B M; Barnett, R M; Baroncelli, A; Barone, G; 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Varol, T; Varouchas, D; Vartapetian, A; Varvell, K E; Vassilakopoulos, V I; Vazeille, F; Vazquez Schroeder, T; Veloso, F; Veneziano, S; Ventura, A; Ventura, D; Venturi, M; Venturi, N; Vercesi, V; Verducci, M; Verkerke, W; Vermeulen, J C; Vest, A; Vetterli, M C; Vichou, I; Vickey, T; Vickey Boeriu, O E; Viehhauser, G H A; Viel, S; Villa, M; Villaplana Perez, M; Vilucchi, E; Vincter, M G; Vinek, E; Vinogradov, V B; Virzi, J; Vitells, O; Viti, M; Vivarelli, I; Vives Vaque, F; Vlachos, S; Vladoiu, D; Vlasak, M; Vogel, A; Vokac, P; Volpi, G; Volpi, M; Volpini, G; von der Schmitt, H; von Radziewski, H; von Toerne, E; Vorobel, V; Vorwerk, V; Vos, M; Voss, R; Vossebeld, J H; Vranjes, N; Vranjes Milosavljevic, M; Vrba, V; Vreeswijk, M; Vu Anh, T; Vuillermet, R; Vukotic, I; Vykydal, Z; Wagner, W; Wagner, P; Wahlen, H; Wahrmund, S; Wakabayashi, J; Walch, S; Walder, J; Walker, R; Walkowiak, W; Wall, R; Waller, P; Walsh, B; Wang, C; Wang, H; Wang, H; Wang, J; Wang, J; Wang, K; Wang, R; Wang, S M; Wang, T; Wang, X; Warburton, A; Ward, C P; Wardrope, D R; Warsinsky, M; Washbrook, A; Wasicki, C; Watanabe, I; Watkins, P M; Watson, A T; Watson, I J; Watson, M F; Watts, G; Watts, S; Waugh, A T; Waugh, B M; Weber, M S; Webster, J S; Weidberg, A R; Weigell, P; Weingarten, J; Weiser, C; Wells, P S; Wenaus, T; Wendland, D; Weng, Z; Wengler, T; Wenig, S; Wermes, N; Werner, M; Werner, P; Werth, M; Wessels, M; Wetter, J; Weydert, C; Whalen, K; White, A; White, M J; White, S; Whitehead, S R; Whiteson, D; Whittington, D; Wicke, D; Wickens, F J; Wiedenmann, W; Wielers, M; Wienemann, P; Wiglesworth, C; Wiik-Fuchs, L A M; Wijeratne, P A; Wildauer, A; Wildt, M A; Wilhelm, I; Wilkens, H G; Will, J Z; Williams, E; Williams, H H; Williams, S; Willis, W; Willocq, S; Wilson, J A; Wilson, M G; Wilson, A; Wingerter-Seez, I; Winkelmann, S; Winklmeier, F; Wittgen, M; Wittig, T; Wittkowski, J; Wollstadt, S J; Wolter, M W; Wolters, H; Wong, W C; Wooden, G; Wosiek, B K; Wotschack, J; Woudstra, M J; Wozniak, K W; Wraight, K; Wright, M; Wrona, B; Wu, S L; Wu, X; Wu, Y; Wulf, E; Wynne, B M; Xella, S; Xiao, M; Xie, S; Xu, C; Xu, D; Xu, L; Yabsley, B; Yacoob, S; Yamada, M; Yamaguchi, H; Yamaguchi, Y; Yamamoto, A; Yamamoto, K; Yamamoto, S; Yamamura, T; Yamanaka, T; Yamauchi, K; Yamazaki, T; Yamazaki, Y; Yan, Z; Yang, H; Yang, H; Yang, U K; Yang, Y; Yang, Z; Yanush, S; Yao, L; Yasu, Y; Yatsenko, E; Ye, J; Ye, S; Yen, A L; Yilmaz, M; Yoosoofmiya, R; Yorita, K; Yoshida, R; Yoshihara, K; Young, C; Young, C J S; Youssef, S; Yu, D; Yu, D R; Yu, J; Yu, J; Yuan, L; Yurkewicz, A; Zabinski, B; Zaidan, R; Zaitsev, A M; Zambito, S; Zanello, L; Zanzi, D; Zaytsev, A; Zeitnitz, C; Zeman, M; Zemla, A; Zenin, O; Ženiš, T; Zerwas, D; Zevi Della Porta, G; Zhang, D; Zhang, H; Zhang, J; Zhang, L; Zhang, X; Zhang, Z; Zhao, L; Zhao, Z; Zhemchugov, A; Zhong, J; Zhou, B; Zhou, N; Zhou, Y; Zhu, C G; Zhu, H; Zhu, J; Zhu, Y; Zhuang, X; Zhuravlov, V; Zibell, A; Zieminska, D; Zimin, N I; Zimmermann, R; Zimmermann, S; Zimmermann, S; Zinonos, Z; Ziolkowski, M; Zitoun, R; Živković, L; Zmouchko, V V; Zobernig, G; Zoccoli, A; Zur Nedden, M; Zutshi, V; Zwalinski, L

    A measurement of splitting scales, as defined by the k T clustering algorithm, is presented for final states containing a W boson produced in proton-proton collisions at a centre-of-mass energy of 7 TeV. The measurement is based on the full 2010 data sample corresponding to an integrated luminosity of 36 pb -1 which was collected using the ATLAS detector at the CERN Large Hadron Collider. Cluster splitting scales are measured in events containing W bosons decaying to electrons or muons. The measurement comprises the four hardest splitting scales in a k T cluster sequence of the hadronic activity accompanying the W boson, and ratios of these splitting scales. Backgrounds such as multi-jet and top-quark-pair production are subtracted and the results are corrected for detector effects. Predictions from various Monte Carlo event generators at particle level are compared to the data. Overall, reasonable agreement is found with all generators, but larger deviations between the predictions and the data are evident in the soft regions of the splitting scales.

  18. Landau level splitting due to graphene superlattices

    NASA Astrophysics Data System (ADS)

    Pal, G.; Apel, W.; Schweitzer, L.

    2012-06-01

    The Landau level spectrum of graphene superlattices is studied using a tight-binding approach. We consider noninteracting particles moving on a hexagonal lattice with an additional one-dimensional superlattice made up of periodic square potential barriers, which are oriented along the zigzag or along the armchair directions of graphene. In the presence of a perpendicular magnetic field, such systems can be described by a set of one-dimensional tight-binding equations, the Harper equations. The qualitative behavior of the energy spectrum with respect to the strength of the superlattice potential depends on the relation between the superlattice period and the magnetic length. When the potential barriers are oriented along the armchair direction of graphene, we find for strong magnetic fields that the zeroth Landau level of graphene splits into two well-separated sublevels, if the width of the barriers is smaller than the magnetic length. In this situation, which persists even in the presence of disorder, a plateau with zero Hall conductivity can be observed around the Dirac point. This Landau level splitting is a true lattice effect that cannot be obtained from the generally used continuum Dirac-fermion model.

  19. Tunneling splitting in double-proton transfer: direct diagonalization results for porphycene.

    PubMed

    Smedarchina, Zorka; Siebrand, Willem; Fernández-Ramos, Antonio

    2014-11-07

    Zero-point and excited level splittings due to double-proton tunneling are calculated for porphycene and the results are compared with experiment. The calculation makes use of a multidimensional imaginary-mode Hamiltonian, diagonalized directly by an effective reduction of its dimensionality. Porphycene has a complex potential energy surface with nine stationary configurations that allow a variety of tunneling paths, many of which include classically accessible regions. A symmetry-based approach is used to show that the zero-point level, although located above the cis minimum, corresponds to concerted tunneling along a direct trans - trans path; a corresponding cis - cis path is predicted at higher energy. This supports the conclusion of a previous paper [Z. Smedarchina, W. Siebrand, and A. Fernández-Ramos, J. Chem. Phys. 127, 174513 (2007)] based on the instanton approach to a model Hamiltonian of correlated double-proton transfer. A multidimensional tunneling Hamiltonian is then generated, based on a double-minimum potential along the coordinate of concerted proton motion, which is newly evaluated at the RI-CC2/cc-pVTZ level of theory. To make it suitable for diagonalization, its dimensionality is reduced by treating fast weakly coupled modes in the adiabatic approximation. This results in a coordinate-dependent mass of tunneling, which is included in a unique Hermitian form into the kinetic energy operator. The reduced Hamiltonian contains three symmetric and one antisymmetric mode coupled to the tunneling mode and is diagonalized by a modified Jacobi-Davidson algorithm implemented in the Jadamilu software for sparse matrices. The results are in satisfactory agreement with the observed splitting of the zero-point level and several vibrational fundamentals after a partial reassignment, imposed by recently derived selection rules. They also agree well with instanton calculations based on the same Hamiltonian.

  20. On Valence-Band Splitting in Layered MoS2.

    PubMed

    Zhang, Youwei; Li, Hui; Wang, Haomin; Liu, Ran; Zhang, Shi-Li; Qiu, Zhi-Jun

    2015-08-25

    As a representative two-dimensional semiconducting transition-metal dichalcogenide (TMD), the electronic structure in layered MoS2 is a collective result of quantum confinement, interlayer interaction, and crystal symmetry. A prominent energy splitting in the valence band gives rise to many intriguing electronic, optical, and magnetic phenomena. Despite numerous studies, an experimental determination of valence-band splitting in few-layer MoS2 is still lacking. Here, we show how the valence-band maximum (VBM) splits for one to five layers of MoS2. Interlayer coupling is found to contribute significantly to phonon energy but weakly to VBM splitting in bilayers, due to a small interlayer hopping energy for holes. Hence, spin-orbit coupling is still predominant in the splitting. A temperature-independent VBM splitting, known for single-layer MoS2, is, thus, observed for bilayers. However, a Bose-Einstein type of temperature dependence of VBM splitting prevails in three to five layers of MoS2. In such few-layer MoS2, interlayer coupling is enhanced with a reduced interlayer distance, but thermal expansion upon temperature increase tends to decouple adjacent layers and therefore decreases the splitting energy. Our findings that shed light on the distinctive behaviors about VBM splitting in layered MoS2 may apply to other hexagonal TMDs as well. They will also be helpful in extending our understanding of the TMD electronic structure for potential applications in electronics and optoelectronics.

  1. Particulate photocatalysts for overall water splitting

    NASA Astrophysics Data System (ADS)

    Chen, Shanshan; Takata, Tsuyoshi; Domen, Kazunari

    2017-10-01

    The conversion of solar energy to chemical energy is a promising way of generating renewable energy. Hydrogen production by means of water splitting over semiconductor photocatalysts is a simple, cost-effective approach to large-scale solar hydrogen synthesis. Since the discovery of the Honda-Fujishima effect, considerable progress has been made in this field, and numerous photocatalytic materials and water-splitting systems have been developed. In this Review, we summarize existing water-splitting systems based on particulate photocatalysts, focusing on the main components: light-harvesting semiconductors and co-catalysts. The essential design principles of the materials employed for overall water-splitting systems based on one-step and two-step photoexcitation are also discussed, concentrating on three elementary processes: photoabsorption, charge transfer and surface catalytic reactions. Finally, we outline challenges and potential advances associated with solar water splitting by particulate photocatalysts for future commercial applications.

  2. Energy-based operator splitting approach for the time discretization of coupled systems of partial and ordinary differential equations for fluid flows: The Stokes case

    NASA Astrophysics Data System (ADS)

    Carichino, Lucia; Guidoboni, Giovanna; Szopos, Marcela

    2018-07-01

    The goal of this work is to develop a novel splitting approach for the numerical solution of multiscale problems involving the coupling between Stokes equations and ODE systems, as often encountered in blood flow modeling applications. The proposed algorithm is based on a semi-discretization in time based on operator splitting, whose design is guided by the rationale of ensuring that the physical energy balance is maintained at the discrete level. As a result, unconditional stability with respect to the time step choice is ensured by the implicit treatment of interface conditions within the Stokes substeps, whereas the coupling between Stokes and ODE substeps is enforced via appropriate initial conditions for each substep. Notably, unconditional stability is attained without the need of subiterating between Stokes and ODE substeps. Stability and convergence properties of the proposed algorithm are tested on three specific examples for which analytical solutions are derived.

  3. Empirical Monod-Beuneu relation of spin relaxation revisited for elemental metals

    NASA Astrophysics Data System (ADS)

    Szolnoki, L.; Kiss, A.; Forró, L.; Simon, F.

    2014-03-01

    Monod and Beuneu [P. Monod and F. Beuneu, Phys. Rev. B 19, 911 (1979), 10.1103/PhysRevB.19.911] established the validity of the Elliott-Yafet theory for elemental metals through correlating the experimental electron spin resonance linewidth with the so-called spin-orbit admixture coefficients and the momentum-relaxation theory. The spin-orbit admixture coefficients data were based on atomic spin-orbit splitting. We highlight two shortcomings of the previous description: (i) the momentum-relaxation involves the Debye temperature and the electron-phonon coupling whose variation among the elemental metals was neglected, (ii) the Elliott-Yafet theory involves matrix elements of the spin-orbit coupling (SOC), which are however not identical to the SOC induced energy splitting of the atomic levels, even though the two have similar magnitudes. We obtain the empirical spin-orbit admixture parameters for the alkali metals by considering the proper description of the momentum relaxation theory. In addition we present a model calculation, which highlights the difference between the SOC matrix element and energy splitting.

  4. Quasi-Fermi level splitting and sub-bandgap absorptivity from semiconductor photoluminescence

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Katahara, John K.; Hillhouse, Hugh W., E-mail: h2@uw.edu

    A unified model for the direct gap absorption coefficient (band-edge and sub-bandgap) is developed that encompasses the functional forms of the Urbach, Thomas-Fermi, screened Thomas-Fermi, and Franz-Keldysh models of sub-bandgap absorption as specific cases. We combine this model of absorption with an occupation-corrected non-equilibrium Planck law for the spontaneous emission of photons to yield a model of photoluminescence (PL) with broad applicability to band-band photoluminescence from intrinsic, heavily doped, and strongly compensated semiconductors. The utility of the model is that it is amenable to full-spectrum fitting of absolute intensity PL data and yields: (1) the quasi-Fermi level splitting, (2) themore » local lattice temperature, (3) the direct bandgap, (4) the functional form of the sub-bandgap absorption, and (5) the energy broadening parameter (Urbach energy, magnitude of potential fluctuations, etc.). The accuracy of the model is demonstrated by fitting the room temperature PL spectrum of GaAs. It is then applied to Cu(In,Ga)(S,Se){sub 2} (CIGSSe) and Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) to reveal the nature of their tail states. For GaAs, the model fit is excellent, and fitted parameters match literature values for the bandgap (1.42 eV), functional form of the sub-bandgap states (purely Urbach in nature), and energy broadening parameter (Urbach energy of 9.4 meV). For CIGSSe and CZTSSe, the model fits yield quasi-Fermi leveling splittings that match well with the open circuit voltages measured on devices made from the same materials and bandgaps that match well with those extracted from EQE measurements on the devices. The power of the exponential decay of the absorption coefficient into the bandgap is found to be in the range of 1.2 to 1.6, suggesting that tunneling in the presence of local electrostatic potential fluctuations is a dominant factor contributing to the sub-bandgap absorption by either purely electrostatic (screened Thomas-Fermi) or a photon-assisted tunneling mechanism (Franz-Keldysh). A Gaussian distribution of bandgaps (local E{sub g} fluctuation) is found to be inconsistent with the data. The sub-bandgap absorption of the CZTSSe absorber is found to be larger than that for CIGSSe for materials that yield roughly equivalent photovoltaic devices (8% efficient). Further, it is shown that fitting only portions of the PL spectrum (e.g., low energy for energy broadening parameter and high energy for quasi-Fermi level splitting) may lead to significant errors for materials with substantial sub-bandgap absorption and emission.« less

  5. Magnetic photon splitting and gamma ray burst spectra

    NASA Technical Reports Server (NTRS)

    Baring, Matthew G.

    1992-01-01

    The splitting of photons into two photons becomes both possible and significant in magnetic fields in excess of 10(exp 12) Gauss. Below the threshold energy, 2m sub e c(exp 2) for single photon pair production, splitting can be an astronomically observable phenomenon evident in gamma ray burst spectra. In such circumstances, it was found that magnetic photon splitting reprocesses the gamma ray burst continuum by degrading the photon energy, with a net effect that is quite similar to pair cascade reprocessing of the spectrum. Results are presented for the spectral modifications due to splitting, taking into account the different probabilities for splitting for different polarization modes. Unpolarized and polarized pair cascade photon spectra form the input spectra for the model, which calculates the resulting splitting reprocessed spectra numerically by solving the photon kinetic equations for each polarization mode. This inclusion of photon polarizations is found to not alter previous predictions that splitting produce a significant flattening of the hard X ray continuum and a bump at MeV energies below a pair production turnover. The spectrum near the bump is always strongly polarized.

  6. A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C 2 H 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yu, Hua-Gen; Song, Hongwei; Yang, Minghui

    Here, we report a rigorous quantum mechanical study of the rovibrational energy levels of vinyl radical C 2H 3. The calculations are carried out using a real two-component multi-layer Lanczos algorithm in a set of orthogonal polyspherical coordinates based on a recently developed accurate ab initio potential energy surface of C 2H 3. All well converged 158 vibrational bands up to 3200 cm -1 are determined, together with a comparison to previous calculations and experimental results. Our results show a remarkable multi-dimensional tunneling effect on the vibrational spectra of the radical. The vibrational tunneling splitting is substantially different from thatmore » of previous reduced dimensional calculations. The rotational constants of the fundamental vibrational bands of C 2H 3 are also given. It was found that the rovibrational states are strongly coupled, especially among those bending vibrational modes. Additionally, the perturbative iteration approach of Gruebele has been extended to assign the rovibrational energy levels of C 2H 3 without the requirement of explicit wavefunctions.« less

  7. A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C2H3.

    PubMed

    Yu, Hua-Gen; Song, Hongwei; Yang, Minghui

    2017-06-14

    We report a rigorous quantum mechanical study of the rovibrational energy levels of vinyl radical C 2 H 3 . The calculations are carried out using a real two-component multi-layer Lanczos algorithm in a set of orthogonal polyspherical coordinates based on a recently developed accurate ab initio potential energy surface of C 2 H 3 . All well converged 158 vibrational bands up to 3200 cm -1 are determined, together with a comparison to previous calculations and experimental results. Results show a remarkable multi-dimensional tunneling effect on the vibrational spectra of the radical. The vibrational tunneling splitting is substantially different from that of previous reduced dimensional calculations. The rotational constants of the fundamental vibrational bands of C 2 H 3 are also given. It was found that the rovibrational states are strongly coupled, especially among those bending vibrational modes. In addition, the perturbative iteration approach of Gruebele has been extended to assign the rovibrational energy levels of C 2 H 3 without the requirement of explicit wavefunctions.

  8. A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C 2 H 3

    DOE PAGES

    Yu, Hua-Gen; Song, Hongwei; Yang, Minghui

    2017-06-12

    Here, we report a rigorous quantum mechanical study of the rovibrational energy levels of vinyl radical C 2H 3. The calculations are carried out using a real two-component multi-layer Lanczos algorithm in a set of orthogonal polyspherical coordinates based on a recently developed accurate ab initio potential energy surface of C 2H 3. All well converged 158 vibrational bands up to 3200 cm -1 are determined, together with a comparison to previous calculations and experimental results. Our results show a remarkable multi-dimensional tunneling effect on the vibrational spectra of the radical. The vibrational tunneling splitting is substantially different from thatmore » of previous reduced dimensional calculations. The rotational constants of the fundamental vibrational bands of C 2H 3 are also given. It was found that the rovibrational states are strongly coupled, especially among those bending vibrational modes. Additionally, the perturbative iteration approach of Gruebele has been extended to assign the rovibrational energy levels of C 2H 3 without the requirement of explicit wavefunctions.« less

  9. Intelligent Hybrid Vehicle Power Control. Part 2. Online Intelligent Energy Management

    DTIC Science & Technology

    2012-06-30

    IEC_HEV for vehicle energy optimization. IEC_HEV, the Figure 1. Power Split HEV configuration into VSC 5 online energy control is a component...in the Vehicle System Controller ( VSC ). The VSC for this configuration must manage the powertrain control in order to maintain a proper level of...charge in the battery. However, since two power sources are available to propel the vehicle, the VSC in this configuration has the additional

  10. Acceptor binding energies in GaN and AlN

    NASA Astrophysics Data System (ADS)

    Mireles, Francisco; Ulloa, Sergio E.

    1998-08-01

    We employ effective-mass theory for degenerate hole bands to calculate the acceptor binding energies for Be, Mg, Zn, Ca, C, and Si substitutional acceptors in GaN and AlN. The calculations are performed through the 6×6 Rashba-Sheka-Pikus and the Luttinger-Kohn matrix Hamiltonians for wurtzite (WZ) and zinc-blende (ZB) crystal phases, respectively. An analytic representation for the acceptor pseudopotential is used to introduce the specific nature of the impurity atoms. The energy shift due to polaron effects is also considered in this approach. The ionization energy estimates are in very good agreement with those reported experimentally in WZ GaN. The binding energies for ZB GaN acceptors are all predicted to be shallower than the corresponding impurities in the WZ phase. The binding-energy dependence upon the crystal-field splitting in WZ GaN is analyzed. Ionization levels in AlN are found to have similar ``shallow'' values to those in GaN, but with some important differences which depend on the band structure parametrizations, especially the value of the crystal-field splitting used.

  11. Isospin splitting of nucleon effective mass and symmetry energy in isotopic nuclear reactions

    NASA Astrophysics Data System (ADS)

    Guo, Ya-Fei; Chen, Peng-Hui; Niu, Fei; Zhang, Hong-Fei; Jin, Gen-Ming; Feng, Zhao-Qing

    2017-10-01

    Within an isospin and momentum dependent transport model, the dynamics of isospin particles (nucleons and light clusters) in Fermi-energy heavy-ion collisions are investigated for constraining the isospin splitting of nucleon effective mass and the symmetry energy at subsaturation densities. The impacts of the isoscalar and isovector parts of the momentum dependent interaction on the emissions of isospin particles are explored, i.e., the mass splittings of and (). The single and double neutron to proton ratios of free nucleons and light particles are thoroughly investigated in the isotopic nuclear reactions of 112Sn+112Sn and 124Sn+124Sn at incident energies of 50 and 120 MeV/nucleon, respectively. It is found that both the effective mass splitting and symmetry energy impact the kinetic energy spectra of the single ratios, in particular at the high energy tail (larger than 20 MeV). The isospin splitting of nucleon effective mass slightly impacts the double ratio spectra at the energy of 50 MeV/nucleon. A soft symmetry energy with stiffness coefficient of γ s=0.5 is constrained from the experimental data with the Fermi-energy heavy-ion collisions. Supported by Major State Basic Research Development Program in China (2014CB845405, 2015CB856903), National Natural Science Foundation of China (11722546, 11675226, 11675066, U1332207) and Youth Innovation Promotion Association of Chinese Academy of Sciences

  12. Some Physical and Computational Issues in Land Surface Data Assimilation of Satellite Skin Temperatures

    NASA Astrophysics Data System (ADS)

    Mackaro, Scott M.; McNider, Richard T.; Biazar, Arastoo Pour

    2012-03-01

    Skin temperatures that reflect the radiating temperature of a surface observed by infrared radiometers are one of the most widely available products from polar orbiting and geostationary satellites and the most commonly used satellite data in land surface assimilation. Past work has indicated that a simple land surface scheme with a few key parameters constrained by observations such as skin temperatures may be preferable to complex land use schemes with many unknown parameters. However, a true radiating skin temperature is sometimes not a prognostic variable in weather forecast models. Additionally, recent research has shown that skin temperatures cannot be directly used in surface similarity forms for inferring fluxes. This paper examines issues encountered in using satellite derived skin temperatures to improve surface flux specifications in weather forecast and air quality models. Attention is given to iterations necessary when attempting to nudge the surface energy budget equation to a desired state. Finally, the issue of mathematical operator splitting is examined in which the surface energy budget calculations are split with the atmospheric vertical diffusion calculations. However, the high level of connectivity between the surface and first atmospheric level means that the operator splitting leads to high frequency oscillations. These oscillations may hinder the assimilation of skin temperature derived moisture fluxes.

  13. Measurement of k T splitting scales in W→ℓν events at $$\\sqrt{s} = 7\\ \\mathrm{TeV}$$ with the ATLAS detector

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Aad, G.; Abajyan, T.; Abbott, B.

    2013-05-15

    A measurement of splitting scales, as defined by the k T clustering algorithm, is presented for final states containing a W boson produced in proton–proton collisions at a centre-of-mass energy of 7 TeV. The measurement is based on the full 2010 data sample corresponding to an integrated luminosity of 36 pb -1 which was collected using the ATLAS detector at the CERN Large Hadron Collider. Cluster splitting scales are measured in events containing W bosons decaying to electrons or muons. The measurement comprises the four hardest splitting scales in a k T cluster sequence of the hadronic activity accompanying themore » W boson, and ratios of these splitting scales. Backgrounds such as multi-jet and top-quark-pair production are subtracted and the results are corrected for detector effects. Predictions from various Monte Carlo event generators at particle level are compared to the data. Overall, reasonable agreement is found with all generators, but larger deviations between the predictions and the data are evident in the soft regions of the splitting scales.« less

  14. Investigation of operating parameters on CO2 splitting by dielectric barrier discharge plasma

    NASA Astrophysics Data System (ADS)

    Pan, CHEN; Jun, SHEN; Tangchun, RAN; Tao, YANG; Yongxiang, YIN

    2017-12-01

    Experiments of CO2 splitting by dielectric barrier discharge (DBD) plasma were carried out, and the influence of CO2 flow rate, plasma power, discharge voltage, discharge frequency on CO2 conversion and process energy efficiency were investigated. It was shown that the absolute quantity of CO2 decomposed was only proportional to the amount of conductive electrons across the discharge gap, and the electron amount was proportional to the discharge power; the energy efficiency of CO2 conversion was almost a constant at a lower level, which was limited by CO2 inherent discharge character that determined a constant gap electric field strength. This was the main reason why CO2 conversion rate decreased as the CO2 flow rate increase and process energy efficiency was decreased a little as applied frequency increased. Therefore, one can improve the CO2 conversion by less feed flow rate or larger discharge power in DBD plasma, but the energy efficiency is difficult to improve.

  15. A New Global Potential Energy Surface for the Hydroperoxyl Radical, HO2: Reaction Coefficients for H + O2 and Vibrational Splittings for H Atom Transfer

    NASA Technical Reports Server (NTRS)

    Dateo, Christopher E.; Arnold, James O. (Technical Monitor)

    1994-01-01

    A new analytic global potential energy surface describing the hydroperoxyl radical system H((sup 2)S) + O2(X (sup 3)Sigma((sup -)(sub g))) (reversible reaction) HO2 ((X-tilde) (sup 2)A'') (reversible reaction) O((sup 3)P) + O H (X (sup 2)Pi) has been fitted using the ab initio complete active space SCF (self-consistent-field)/externally contracted configuration interaction (CASSCF/CCI) energy calculations of Walch and Duchovic. Results of quasiclassical trajectory studies to determine the rate coefficients of the forward and reverse reactions at combustion temperatures will be presented. In addition, vibrational energy levels were calculated using the quantum DVR-DGB (discrete variable representation-distributed Gaussian basis) method and the splitting due to H atom migration is investigated. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

  16. Probing medium-induced jet splitting and energy loss in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Chang, Ning-Bo; Cao, Shanshan; Qin, Guang-You

    2018-06-01

    The nuclear modification of jet splitting in relativistic heavy-ion collisions at RHIC and the LHC energies is studied based on the higher twist formalism. Assuming coherent energy loss for the two splitted subjets, a non-monotonic jet energy dependence is found for the nuclear modification of jet splitting function: strongest modification at intermediate jet energies whereas weaker modification for larger or smaller jet energies. Combined with the smaller size and lower density of the QGP medium at RHIC than at the LHC, this helps to understand the groomed jet measurements from CMS and STAR Collaborations: strong modification of the momentum sharing zg distribution at the LHC and no obvious modification of zg distribution at RHIC. In addition, the observed nuclear modification pattern of the groomed jet zg distribution cannot be explained solely by independent energy loss of the two subjets. Our result may be tested in future measurements of groomed jets with lower jet energies at the LHC and larger jet energies at RHIC, for different angular separations between the two subjets.

  17. Quantum thermodynamics of the resonant-level model with driven system-bath coupling

    NASA Astrophysics Data System (ADS)

    Haughian, Patrick; Esposito, Massimiliano; Schmidt, Thomas L.

    2018-02-01

    We study nonequilibrium thermodynamics in a fermionic resonant-level model with arbitrary coupling strength to a fermionic bath, taking the wide-band limit. In contrast to previous theories, we consider a system where both the level energy and the coupling strength depend explicitly on time. We find that, even in this generalized model, consistent thermodynamic laws can be obtained, up to the second order in the drive speed, by splitting the coupling energy symmetrically between system and bath. We define observables for the system energy, work, heat, and entropy, and calculate them using nonequilibrium Green's functions. We find that the observables fulfill the laws of thermodynamics, and connect smoothly to the known equilibrium results.

  18. Hyperspherical nuclear motion of H3 + and D3 + in the electronic triplet state, a 3Sigmau +.

    PubMed

    Ferreira, Tiago Mendes; Alijah, Alexander; Varandas, António J C

    2008-02-07

    The potential energy surface of H(3) (+) in the lowest electronic triplet state, a (3)Sigma(u) (+), shows three equivalent minima at linear nuclear configurations. The vibrational levels of H(3) (+) and D(3) (+) on this surface can therefore be described as superimposed linear molecule states. Owing to such a superposition, each vibrational state characterized by quantum numbers of an isolated linear molecule obtains a one- and a two-dimensional component. The energy splittings between the two components have now been rationalized within a hyperspherical picture. It is shown that nuclear motion along the hyperangle phi mainly accounts for the splittings and provides upper bounds. This hyperspherical motion can be considered an extension of the antisymmetric stretching motion of the individual linear molecule.

  19. Theoretical study of ethylbenzenium ions: the mechanism for splitting off ethene, and the formation of a pi complex of ethene and the benzenium ion.

    PubMed

    Kolboe, Stein; Svelle, Stian; Arstad, Bjørnar

    2009-02-05

    Structures and energies of protonated ethylbenzene and 2,6-dimethylethylbenzene have been studied by quantum chemical calculations. The main goal is to study the mechanism for splitting off ethene from protonated ethylbenzene. Data are reported for the four ethylbenzenium isomers arising depending on the position of the proton on the benzene ring: a pi complex where ethene is weakly bonded to a benzenium ion and two transition states connected with the cleavage of the ethylbenzenium ion. The larger part of the data that are reported has been obtained at the B3LYP/cc-pVTZ level of theory. Energies obtained by the Gaussian-3 G3B3 composite method are also given. Computations have also been carried out at the MP2/6-311++G(d,p) level of theory. The calculated results can be reconciled with published experimental observations, and they give information about the reaction system that is not obtained by experimental techniques.

  20. Dye-sensitized photocatalyst for effective water splitting catalyst

    NASA Astrophysics Data System (ADS)

    Watanabe, Motonori

    2017-12-01

    Renewable hydrogen production is a sustainable method for the development of next-generation energy technologies. Utilising solar energy and photocatalysts to split water is an ideal method to produce hydrogen. In this review, the fundamental principles and recent progress of hydrogen production by artificial photosynthesis are reviewed, focusing on hydrogen production from photocatalytic water splitting using organic-inorganic composite-based photocatalysts.

  1. Carotid dual-energy CT angiography: Evaluation of low keV calculated monoenergetic datasets by means of a frequency-split approach for noise reduction at low keV levels.

    PubMed

    Riffel, Philipp; Haubenreisser, Holger; Meyer, Mathias; Sudarski, Sonja; Morelli, John N; Schmidt, Bernhard; Schoenberg, Stefan O; Henzler, Thomas

    2016-04-01

    Calculated monoenergetic ultra-low keV datasets did not lead to improved contrast-to-noise ratio (CNR) due to the dramatic increase in image noise. The aim of the present study was to evaluate the objective image quality of ultra-low keV monoenergetic images (MEIs) calculated from carotid DECT angiography data with a new monoenergetic imaging algorithm using a frequency-split technique. 20 patients (12 male; mean age 53±17 years) were retrospectively analyzed. MEIs from 40 to 120 keV were reconstructed using the monoenergetic split frequency approach (MFSA). Additionally MEIs were reconstructed for 40 and 50 keV using a conventional monoenergetic (CM) software application. Signal intensity, noise, signal-to-noise ratio (SNR) and CNR were assessed in the basilar, common, internal carotid arteries. Ultra-low keV MEIs at 40 keV and 50 keV demonstrated highest vessel attenuation, significantly greater than those of the polyenergetic images (PEI) (all p-values <0.05). The highest SNR level and CNR level was found at 40 keV and 50 keV (all p-values <0.05). MEIs with MFSA showed significantly lower noise levels than those processed with CM (all p-values <0.05) and no significant differences in vessel attenuation (p>0.05). Thus MEIs with MFSA showed significantly higher SNR and CNR compared to MEIs with CM. Combining the lower spatial frequency stack for contrast at low keV levels with the high spatial frequency stack for noise at high keV levels (frequency-split technique) leads to improved image quality of ultra-low keV monoenergetic DECT datasets when compared to previous monoenergetic reconstruction techniques without the frequency-split technique. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  2. Tantalum-based semiconductors for solar water splitting.

    PubMed

    Zhang, Peng; Zhang, Jijie; Gong, Jinlong

    2014-07-07

    Solar energy utilization is one of the most promising solutions for the energy crises. Among all the possible means to make use of solar energy, solar water splitting is remarkable since it can accomplish the conversion of solar energy into chemical energy. The produced hydrogen is clean and sustainable which could be used in various areas. For the past decades, numerous efforts have been put into this research area with many important achievements. Improving the overall efficiency and stability of semiconductor photocatalysts are the research focuses for the solar water splitting. Tantalum-based semiconductors, including tantalum oxide, tantalate and tantalum (oxy)nitride, are among the most important photocatalysts. Tantalum oxide has the band gap energy that is suitable for the overall solar water splitting. The more negative conduction band minimum of tantalum oxide provides photogenerated electrons with higher potential for the hydrogen generation reaction. Tantalates, with tunable compositions, show high activities owning to their layered perovskite structure. (Oxy)nitrides, especially TaON and Ta3N5, have small band gaps to respond to visible-light, whereas they can still realize overall solar water splitting with the proper positions of conduction band minimum and valence band maximum. This review describes recent progress regarding the improvement of photocatalytic activities of tantalum-based semiconductors. Basic concepts and principles of solar water splitting will be discussed in the introduction section, followed by the three main categories regarding to the different types of tantalum-based semiconductors. In each category, synthetic methodologies, influencing factors on the photocatalytic activities, strategies to enhance the efficiencies of photocatalysts and morphology control of tantalum-based materials will be discussed in detail. Future directions to further explore the research area of tantalum-based semiconductors for solar water splitting are also discussed.

  3. Communication: Tunnelling splitting in the phosphine molecule

    NASA Astrophysics Data System (ADS)

    Sousa-Silva, Clara; Tennyson, Jonathan; Yurchenko, Sergey N.

    2016-09-01

    Splitting due to tunnelling via the potential energy barrier has played a significant role in the study of molecular spectra since the early days of spectroscopy. The observation of the ammonia doublet led to attempts to find a phosphine analogous, but these have so far failed due to its considerably higher barrier. Full dimensional, variational nuclear motion calculations are used to predict splittings as a function of excitation energy. Simulated spectra suggest that such splittings should be observable in the near infrared via overtones of the ν2 bending mode starting with 4ν2.

  4. Exposing the QCD Splitting Function with CMS Open Data.

    PubMed

    Larkoski, Andrew; Marzani, Simone; Thaler, Jesse; Tripathee, Aashish; Xue, Wei

    2017-09-29

    The splitting function is a universal property of quantum chromodynamics (QCD) which describes how energy is shared between partons. Despite its ubiquitous appearance in many QCD calculations, the splitting function cannot be measured directly, since it always appears multiplied by a collinear singularity factor. Recently, however, a new jet substructure observable was introduced which asymptotes to the splitting function for sufficiently high jet energies. This provides a way to expose the splitting function through jet substructure measurements at the Large Hadron Collider. In this Letter, we use public data released by the CMS experiment to study the two-prong substructure of jets and test the 1→2 splitting function of QCD. To our knowledge, this is the first ever physics analysis based on the CMS Open Data.

  5. Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting.

    PubMed

    Schumacher, Stefan; Förstner, Jens; Zrenner, Artur; Florian, Matthias; Gies, Christopher; Gartner, Paul; Jahnke, Frank

    2012-02-27

    We study the quantum properties and statistics of photons emitted by a quantum-dot biexciton inside a cavity. In the biexciton-exciton cascade, fine-structure splitting between exciton levels degrades polarization-entanglement for the emitted pair of photons. However, here we show that the polarization-entanglement can be preserved in such a system through simultaneous emission of two degenerate photons into cavity modes tuned to half the biexciton energy. Based on detailed theoretical calculations for realistic quantum-dot and cavity parameters, we quantify the degree of achievable entanglement.

  6. Splitting of a vertical multiwalled carbon nanotube carpet to a graphene nanoribbon carpet and its use in supercapacitors.

    PubMed

    Zhang, Chenguang; Peng, Zhiwei; Lin, Jian; Zhu, Yu; Ruan, Gedeng; Hwang, Chih-Chau; Lu, Wei; Hauge, Robert H; Tour, James M

    2013-06-25

    Potassium vapor was used to longitudinally split vertically aligned multiwalled carbon nanotubes carpets (VA-CNTs). The resulting structures have a carpet of partially split MWCNTs and graphene nanoribbons (GNRs). The split structures were characterized by scanning electron microscopy, transmission electron microscopy, atomic force microscopy, Raman spectroscopy and X-ray photoelectron spectroscopy. When compared to the original VA-CNTs carpet, the split VA-CNTs carpet has enhanced electrochemical performance with better specific capacitance in a supercapacitor. Furthermore, the split VA-CNTs carpet has excellent cyclability as a supercapacitor electrode material. There is a measured maximum power density of 103 kW/kg at an energy density of 5.2 Wh/kg and a maximum energy density of 9.4 Wh/kg. The superior electrochemical performances of the split VA-CNTs can be attributed to the increased surface area for ion accessibility after splitting, and the lasting conductivity of the structure with their vertical conductive paths based on the preserved GNR alignment.

  7. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

    NASA Astrophysics Data System (ADS)

    Wang, Yimin; Braams, Bastiaan J.; Bowman, Joel M.; Carter, Stuart; Tew, David P.

    2008-06-01

    Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcal/mol, in excellent agreement with the reported ab initio value. Model one-dimensional and ``exact'' full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased ``fixed-node'' diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm-1 in Cartesian coordinates and 22.6 cm-1 in normal coordinates, with an uncertainty of 2-3 cm-1. This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm-1. The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm-1. These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm-1, and agree well with the experimental values of 21.6 and 2.9 cm-1 for the H and D transfer, respectively.

  8. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.

    PubMed

    Wang, Yimin; Braams, Bastiaan J; Bowman, Joel M; Carter, Stuart; Tew, David P

    2008-06-14

    Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcalmol, in excellent agreement with the reported ab initio value. Model one-dimensional and "exact" full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased "fixed-node" diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm(-1) in Cartesian coordinates and 22.6 cm(-1) in normal coordinates, with an uncertainty of 2-3 cm(-1). This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm(-1). The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm(-1). These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm(-1), and agree well with the experimental values of 21.6 and 2.9 cm(-1) for the H and D transfer, respectively.

  9. Comparison of image quality and radiation dose between split-filter dual-energy images and single-energy images in single-source abdominal CT.

    PubMed

    Euler, André; Obmann, Markus M; Szucs-Farkas, Zsolt; Mileto, Achille; Zaehringer, Caroline; Falkowski, Anna L; Winkel, David J; Marin, Daniele; Stieltjes, Bram; Krauss, Bernhard; Schindera, Sebastian T

    2018-02-19

    To compare image quality and radiation dose of abdominal split-filter dual-energy CT (SF-DECT) combined with monoenergetic imaging to single-energy CT (SECT) with automatic tube voltage selection (ATVS). Two-hundred single-source abdominal CT scans were performed as SECT with ATVS (n = 100) and SF-DECT (n = 100). SF-DECT scans were reconstructed and subdivided into composed images (SF-CI) and monoenergetic images at 55 keV (SF-MI). Objective and subjective image quality were compared among single-energy images (SEI), SF-CI and SF-MI. CNR and FOM were separately calculated for the liver (e.g. CNR liv ) and the portal vein (CNR pv ). Radiation dose was compared using size-specific dose estimate (SSDE). Results of the three groups were compared using non-parametric tests. Image noise of SF-CI was 18% lower compared to SEI and 48% lower compared to SF-MI (p < 0.001). Composed images yielded higher CNR liv over single-energy images (23.4 vs. 20.9; p < 0.001), whereas CNR pv was significantly lower (3.5 vs. 5.2; p < 0.001). Monoenergetic images overcame this inferiority in CNR pv and achieved similar results compared to single-energy images (5.1 vs. 5.2; p > 0.628). Subjective sharpness was equal between single-energy and monoenergetic images and diagnostic confidence was equal between single-energy and composed images. FOM liv was highest for SF-CI. FOM pv was equal for SEI and SF-MI (p = 0.78). SSDE was significant lower for SF-DECT compared to SECT (p < 0.022). The combined use of split-filter dual-energy CT images provides comparable objective and subjective image quality at lower radiation dose compared to single-energy CT with ATVS. • Split-filter dual-energy results in 18% lower noise compared to single-energy with ATVS. • Split-filter dual-energy results in 11% lower SSDE compared to single-energy with ATVS. • Spectral shaping of split-filter dual-energy leads to an increased dose-efficiency.

  10. Chirped-Pulse and Cavity Based Fourier Transform Microwave Spectroscopy of the Methyl Lactate-Ammonia Adduct

    NASA Astrophysics Data System (ADS)

    Thomas, Javix; Sukhorukov, Oleksandr; Jaeger, Wolfgang; Xu, Yunjie

    2012-06-01

    The hydrogen bonded complex of ammonia with methyl lactate, a chiral alpha-hydroxyester, has been studied using rotational spectroscopy and high level ab initio calculations. Previous studies showed that methyl lactate can exist in a number of conformers. However, only the most stable one which has an intramolecular hydrogen bonded ring formed with its alcoholic hydroxyl and its carbonyl oxygen atom was detected experimentally An extensive ab initio search has been performed to locate all possible low energy conformers of the methyl lactate-ammonia contact pair. Five lowest energy conformers have been identified at the MP2/6-311++G(d,p) level. The lowest energy conformer favors an insertion arrangement, where ammonia is inserted into the existing intramolecular hydrogen bonded ring in the most stable methyl lactate conformer. Broadband scans for the rotational spectra of possible binary conformers have been carried out using a chirped-pulse Fourier transform microwave (FTMW) instrument. The most stable binary adduct was identified and assigned. The final frequency measurements have been done with a cavity based FTMW instrument. The spectrum observed shows complicated fine and hyperfine splitting patterns, likely due to the internal rotations of the methyl groups of methyl lactate and that of ammonia, as well as the 14N quadrupolar nucleus. The binary adduct with 15NH3 has also been studied to simplify the splitting pattern and to aid the assignments of the extensive splittings. The isotopic data and the fine and hyperfine structures will be discussed in terms of internal rotation dynamics and geometry of the hydrogen bonded adduct.

  11. Sub-Doppler rotationally resolved spectroscopy of lower vibronic bands of benzene with Zeeman effects

    NASA Astrophysics Data System (ADS)

    Doi, Atsushi; Kasahara, Shunji; Katô, Hajime; Baba, Masaaki

    2004-04-01

    Sub-Doppler high-resolution excitation spectra and the Zeeman effects of the 601, 101601, and 102601 bands of the S1 1B2u←S0 1A1g transition of benzene were measured by crossing laser beam perpendicular to a collimated molecular beam. 1593 rotational lines of the 101601 band and 928 lines of the 102601 band were assigned, and the molecular constants of the excited states were determined. Energy shifts were observed for the S1 1B2u(v1=1,v6=1,J,Kl=-11) levels, and those were identified as originating from a perpendicular Coriolis interaction. Many energy shifts were observed for the S1 1B2u(v1=2,v6=1,J,Kl) levels. The Zeeman splitting of a given J level was observed to increase with K and reach the maximum at K=J, which demonstrates that the magnetic moment lies perpendicular to the molecular plane. The Zeeman splittings of the K=J levels were observed to increase linearly with J. From the analysis, the magnetic moment is shown to be originating mostly from mixing of the S1 1B2u and S2 1B1u states by the J-L coupling (electronic Coriolis interaction). The number of perturbations was observed to increase as the excess energy increases, and all the perturbing levels were found to be a singlet state from the Zeeman spectra.

  12. Optimal energy-splitting method for an open-loop liquid crystal adaptive optics system.

    PubMed

    Cao, Zhaoliang; Mu, Quanquan; Hu, Lifa; Liu, Yonggang; Peng, Zenghui; Yang, Qingyun; Meng, Haoran; Yao, Lishuang; Xuan, Li

    2012-08-13

    A waveband-splitting method is proposed for open-loop liquid crystal adaptive optics systems (LC AOSs). The proposed method extends the working waveband, splits energy flexibly, and improves detection capability. Simulated analysis is performed for a waveband in the range of 350 nm to 950 nm. The results show that the optimal energy split is 7:3 for the wavefront sensor (WFS) and for the imaging camera with the waveband split into 350 nm to 700 nm and 700 nm to 950 nm, respectively. A validation experiment is conducted by measuring the signal-to-noise ratio (SNR) of the WFS and the imaging camera. The results indicate that for the waveband-splitting method, the SNR of WFS is approximately equal to that of the imaging camera with a variation in the intensity. On the other hand, the SNR of the WFS is significantly different from that of the imaging camera for the polarized beam splitter energy splitting scheme. Therefore, the waveband-splitting method is more suitable for an open-loop LC AOS. An adaptive correction experiment is also performed on a 1.2-meter telescope. A star with a visual magnitude of 4.45 is observed and corrected and an angular resolution ability of 0.31″ is achieved. A double star with a combined visual magnitude of 4.3 is observed as well, and its two components are resolved after correction. The results indicate that the proposed method can significantly improve the detection capability of an open-loop LC AOS.

  13. Policy options for the split incentive: Increasing energy efficiency for low-income renters.

    PubMed

    Bird, Stephen; Hernández, Diana

    2012-09-01

    The split incentive problem concerns the lack of appropriate incentives to implement energy efficiency measures. In particular, low income tenants face a phenomenon of energy poverty in which they allocate significantly more of their household income to energy expenditures than other renters. This problem is substantial, affecting 1.89% of all United States' energy use. If effectively addressed, it would create a range of savings between 4 and 11 billion dollars per year for many of the nation's poorest residents. We argue that a carefully designed program of incentives for participants (including landlords) in conjunction with a unique type of utility-managed on-bill financing mechanism has significant potential to solve many of the complications. We focus on three kinds of split incentives, five concerns inherent to addressing split incentive problems (scale, endurance, incentives, savings, political disfavor), and provide a detailed policy proposal designed to surpass those problems, with a particular focus on low-income tenants in a U.S.

  14. Policy options for the split incentive: Increasing energy efficiency for low-income renters

    PubMed Central

    Bird, Stephen; Hernández, Diana

    2016-01-01

    The split incentive problem concerns the lack of appropriate incentives to implement energy efficiency measures. In particular, low income tenants face a phenomenon of energy poverty in which they allocate significantly more of their household income to energy expenditures than other renters. This problem is substantial, affecting 1.89% of all United States' energy use. If effectively addressed, it would create a range of savings between 4 and 11 billion dollars per year for many of the nation's poorest residents. We argue that a carefully designed program of incentives for participants (including landlords) in conjunction with a unique type of utility-managed on-bill financing mechanism has significant potential to solve many of the complications. We focus on three kinds of split incentives, five concerns inherent to addressing split incentive problems (scale, endurance, incentives, savings, political disfavor), and provide a detailed policy proposal designed to surpass those problems, with a particular focus on low-income tenants in a U.S. context. PMID:27053828

  15. Highly-efficient capillary photoelectrochemical water splitting using cellulose nanofiber-templated TiO 2 photoanodes

    Treesearch

    Zhaodong Li; Chunhua Yao; Yanhao Yu; Zhiyong Cai; Xudong Wang

    2014-01-01

    Among current endeavors to explore renewable energy technologies, photoelectrochemical (PEC) water splitting holds great promise for conversion of solar energy to chemical energy. [ 1–4 ] Light absorption, charge separation, and appropriate interfacial redox reactions are three key aspects that lead to highly efficient solar energy conversion. [ 5–10 ] Therefore,...

  16. Symmetry breaking in the zero-energy Landau level in bilayer graphene.

    PubMed

    Zhao, Y; Cadden-Zimansky, P; Jiang, Z; Kim, P

    2010-02-12

    The quantum Hall effect near the charge neutrality point in bilayer graphene is investigated in high magnetic fields of up to 35 T using electronic transport measurements. In the high-field regime, the eightfold degeneracy in the zero-energy Landau level is completely lifted, exhibiting new quantum Hall states corresponding to filling factors nu=0, 1, 2, and 3. Measurements of the activation energy gaps for the nu=2 and 3 filling factors in tilted magnetic fields exhibit no appreciable dependence on the in-plane magnetic field, suggesting that these Landau level splittings are independent of spin. In addition, measurements taken at the nu=0 charge neutral point show that, similar to single layer graphene, the bilayer becomes insulating at high fields.

  17. Towards black-box calculations of tunneling splittings obtained from vibrational structure methods based on normal coordinates.

    PubMed

    Neff, Michael; Rauhut, Guntram

    2014-02-05

    Multidimensional potential energy surfaces obtained from explicitly correlated coupled-cluster calculations and further corrections for high-order correlation contributions, scalar relativistic effects and core-correlation energy contributions were generated in a fully automated fashion for the double-minimum benchmark systems OH3(+) and NH3. The black-box generation of the potentials is based on normal coordinates, which were used in the underlying multimode expansions of the potentials and the μ-tensor within the Watson operator. Normal coordinates are not the optimal choice for describing double-minimum potentials and the question remains if they can be used for accurate calculations at all. However, their unique definition is an appealing feature, which removes remaining errors in truncated potential expansions arising from different choices of curvilinear coordinate systems. Fully automated calculations are presented, which demonstrate, that the proposed scheme allows for the determination of energy levels and tunneling splittings as a routine application. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Unique spin-polarized transmission effects in a QD ring structure

    NASA Astrophysics Data System (ADS)

    Hedin, Eric; Joe, Yong

    2010-10-01

    Spintronics is an emerging field in which the spin of the electron is used for switching purposes and to communicate information. In order to obtain spin-polarized electron transmission, the Zeeman effect is employed to produce spin-split energy states in quantum dots which are embedded in the arms of a mesoscopic Aharonov-Bohm (AB) ring heterostructure. The Zeeman splitting of the QD energy levels can be induced by a parallel magnetic field, or by a perpendicular field which also produces AB-effects. The combination of these effects on the transmission resonances of the structure is studied analytically and several parameter regimes are identified which produce a high degree of spin-polarized output. Contour and line plots of the weighted spin polarization as a function of electron energy and magnetic field are presented to visualize the degree of spin-polarization. Taking advantage of these unique parameter regimes shows the potential promise of such devices for producing spin-polarized currents.

  19. An Inexpensive Co-Intercalated Layered Double Hydroxide Composite with Electron Donor-Acceptor Character for Photoelectrochemical Water Splitting

    PubMed Central

    Zheng, Shufang; Lu, Jun; Yan, Dongpeng; Qin, Yumei; Li, Hailong; Evans, David G.; Duan, Xue

    2015-01-01

    In this paper, the inexpensive 4,4-diaminostilbene-2,2-disulfonate (DAS) and 4,4-dinitro-stilbene-2,2- disulfonate (DNS) anions with arbitrary molar ratios were successfully co-intercalated into Zn2Al-layered double hydroxides (LDHs). The DAS(50%)-DNS/LDHs composite exhibited the broad UV-visible light absorption and fluorescence quenching, which was a direct indication of photo-induced electron transfer (PET) process between the intercalated DAS (donor) and DNS (acceptor) anions. This was confirmed by the matched HOMO/LUMO energy levels alignment of the intercalated DAS and DNS anions, which was also compatible for water splitting. The DAS(50%)-DNS/LDHs composite was fabricated as the photoanode and Pt as the cathode. Under the UV-visible light illumination, the enhanced photo-generated current (4.67 mA/cm2 at 0.8 V vs. SCE) was generated in the external circuit, and the photoelectrochemical water split was realized. Furthermore, this photoelectrochemical water splitting performance had excellent crystalline, electrochemical and optical stability. Therefore, this novel inorganic/organic hybrid photoanode exhibited potential application prospect in photoelectrochemical water splitting. PMID:26174201

  20. Microwave energy harvesting based on metamaterial absorbers with multi-layered square split rings for wireless communications

    NASA Astrophysics Data System (ADS)

    Karaaslan, Muharrem; Bağmancı, Mehmet; Ünal, Emin; Akgol, Oguzhan; Sabah, Cumali

    2017-06-01

    We propose the design of a multiband absorber based on multi-layered square split ring (MSSR) structure. The multi-layered metamaterial structure is designed to be used in the frequency bands such as WIMAX, WLAN and satellite communication region. The absorption levels of the proposed structure are higher than 90% for all resonance frequencies. In addition, the incident angle and polarization dependence of the multi-layered metamaterial absorber and harvester is also investigated and it is observed that the structure has polarization angle independent frequency response with good absorption characteristics in the entire working frequency band. The energy harvesting ratios of the structure is investigated especially for the resonance frequencies at which the maximum absorption occurs. The energy harvesting potential of the proposed MSSRs is as good as those of the structures given in the literature. Therefore, the suggested design having good absorption, polarization and angle independent characteristics with a wide bandwidth is a potential candidate for future energy harvesting applications in commonly used wireless communication bands, namely WIMAX, WLAN and satellite communication bands.

  1. Mini-Split Heat Pump Evaluation and Zero Energy Ready Home Support

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Herk, Anastasia

    IBACOS worked with builder Imagine Homes to evaluate the performance of an occupied new construction test house following construction of the house in the hot, humid climate of San Antonio, Texas. The project measures the effectiveness of a space conditioning strategy using a multihead mini-split heat pump (MSHP) system in a reduced-load home to achieve acceptable comfort levels (temperature and humidity) and energy performance. IBACOS collected long-term data and analyzed the energy consumption and comfort conditions of the occupied house after one year of operation. Although measured results indicate that the test system provides comfort both inside and outside themore » ASHRAE Standard 55-2010 range, the occupants of the house claimed both adequate comfort and appreciation of the ease of use and flexibility of the installed MSHP system. IBACOS also assisted the builder to evaluate design and specification changes necessary to comply with Zero Energy Ready Home, but the builder chose to not move forward with it because of concerns about the 'solar ready' requirements of the program.« less

  2. The new energy management policy: Indonesian PSC-gross-split applied on steam flooding project

    NASA Astrophysics Data System (ADS)

    Irham, S.; Julyus, P.

    2018-01-01

    “SIPY” oil field has been producing oil using steam flooding technology since 1992 under the PSC-Cost-Recovery policy. In 2021, the contract will be finished, and a new agreement must be submitted to the Indonesian government. There are two applied fiscal policies on oil and gas management: PSC-Cost-Recovery and PSC-Gross-Split (introduced in 2017 as the new energy management plan). The contractor must choose between PSC-Cost-Recovery and PSC-Gross-split which makes more profit. The aim of this research is to determine the best oil and gas contract policy for the contractor. The methods are calculating contractor cash flow and comparing the Profitability Indexes. The results of this study are (1) Net Present Values for the PSC-Cost-Recovery and the PSC-Gross-Split are 15 MMUS and 61 MMUS, respectively; and (2) Internal Rate of Return values for the PSC-Cost-Recovery and PSC-Gross-Split are 10% and 11%, respectively. The conclusion is that the Net Present Value and Internal Rate of Return of PSC-Gross-Split are greater than those of PSC-Cost-Recovery, but in Pay Out Time of PSC-Gross-split is longer than Pay Out Time in PSC-Cost-Recovery. Thus, the new energy management policy will be more attractive than PSC-Cost-Recovery.

  3. SLS complementary logic devices with increase carrier mobility

    DOEpatents

    Chaffin, R.J.; Osbourn, G.C.; Zipperian, T.E.

    1991-07-09

    In an electronic device comprising a semiconductor material and having at least one performance characteristic which is limited by the mobility of holes in the semiconductor material, said mobility being limited because of a valence band degeneracy among high-mobility and low-mobility energy levels accessible to said holes at the energy-momentum space maximum, an improvement is provided wherein the semiconductor material is a strained layer superlattice (SLS) whose layer compositions and layer thicknesses are selected so that the strain on the layers predominantly containing said at least one carrier type splits said degeneracy and modifies said energy levels around said energy-momentum space maximum in a manner whereby said limitation on the mobility of said holes is alleviated. 5 figures.

  4. SLS complementary logic devices with increase carrier mobility

    DOEpatents

    Chaffin, Roger J.; Osbourn, Gordon C.; Zipperian, Thomas E.

    1991-01-01

    In an electronic device comprising a semiconductor material and having at least one performance characteristic which is limited by the mobility of holes in the semiconductor material, said mobility being limited because of a valence band degeneracy among high-mobility and low-mobility energy levels accessible to said holes at the energy-momentum space maximum, an improvement is provided wherein the semiconductor material is a strained layer superlattice (SLS) whose layer compositions and layer thicknesses are selected so that the strain on the layers predominantly containing said at least one carrier type splits said degeneracy and modifies said energy levels around said energy-momentum space maximum in a manner whereby said limitation on the mobility of said holes is alleviated.

  5. Neutrino mass hierarchy and three-flavor spectral splits of supernova neutrinos

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dasgupta, Basudeb; Mirizzi, Alessandro; Tomas, Ricard

    2010-05-01

    It was recently realized that three-flavor effects could peculiarly modify the development of spectral splits induced by collective oscillations, for supernova neutrinos emitted during the cooling phase of a protoneutron star. We systematically explore this case, explaining how the impact of these three-flavor effects depends on the ordering of the neutrino masses. In inverted mass hierarchy, the solar mass splitting gives rise to instabilities in regions of the (anti)neutrino energy spectra that were otherwise stable under the leading two-flavor evolution governed by the atmospheric mass splitting and by the 1-3 mixing angle. As a consequence, the high-energy spectral splits foundmore » in the electron (anti)neutrino spectra disappear, and are transferred to other flavors. Imperfect adiabaticity leads to smearing of spectral swap features. In normal mass hierarchy, the three-flavor and the two-flavor instabilities act in the same region of the neutrino energy spectrum, leading to only minor departures from the two-flavor treatment.« less

  6. Observation of spontaneous spin-splitting in the band structure of an n-type zinc-blende ferromagnetic semiconductor

    PubMed Central

    Anh, Le Duc; Hai, Pham Nam; Tanaka, Masaaki

    2016-01-01

    Large spin-splitting in the conduction band and valence band of ferromagnetic semiconductors, predicted by the influential mean-field Zener model and assumed in many spintronic device proposals, has never been observed in the mainstream p-type Mn-doped ferromagnetic semiconductors. Here, using tunnelling spectroscopy in Esaki-diode structures, we report the observation of such a large spontaneous spin-splitting energy (31.7–50 meV) in the conduction band bottom of n-type ferromagnetic semiconductor (In,Fe)As, which is surprising considering the very weak s-d exchange interaction reported in several zinc-blende type semiconductors. The mean-field Zener model also fails to explain consistently the ferromagnetism and the spin-splitting energy of (In,Fe)As, because we found that the Curie temperature values calculated using the observed spin-splitting energies are much lower than the experimental ones by a factor of 400. These results urge the need for a more sophisticated theory of ferromagnetic semiconductors. PMID:27991502

  7. Carbon Nitride-Aromatic Diimide-Graphene Nanohybrids: Metal-Free Photocatalysts for Solar-to-Hydrogen Peroxide Energy Conversion with 0.2% Efficiency.

    PubMed

    Kofuji, Yusuke; Isobe, Yuki; Shiraishi, Yasuhiro; Sakamoto, Hirokatsu; Tanaka, Shunsuke; Ichikawa, Satoshi; Hirai, Takayuki

    2016-08-10

    Solar-to-chemical energy conversion is a challenging subject for renewable energy storage. In the past 40 years, overall water splitting into H2 and O2 by semiconductor photocatalysis has been studied extensively; however, they need noble metals and extreme care to avoid explosion of the mixed gases. Here we report that generating hydrogen peroxide (H2O2) from water and O2 by organic semiconductor photocatalysts could provide a new basis for clean energy storage without metal and explosion risk. We found that carbon nitride-aromatic diimide-graphene nanohybrids prepared by simple hydrothermal-calcination procedure produce H2O2 from pure water and O2 under visible light (λ > 420 nm). Photoexcitation of the semiconducting carbon nitride-aromatic diimide moiety transfers their conduction band electrons to graphene and enhances charge separation. The valence band holes on the semiconducting moiety oxidize water, while the electrons on the graphene moiety promote selective two-electron reduction of O2. This metal-free system produces H2O2 with solar-to-chemical energy conversion efficiency 0.20%, comparable to the highest levels achieved by powdered water-splitting photocatalysts.

  8. Supernova neutrinos and antineutrinos: ternary luminosity diagram and spectral split patterns

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fogli, Gianluigi; Marrone, Antonio; Tamborra, Irene

    2009-10-01

    In core-collapse supernovae, the ν{sub e} and ν-bar {sub e} species may experience collective flavor swaps to non-electron species ν{sub x}, within energy intervals limited by relatively sharp boundaries (''splits''). These phenomena appear to depend sensitively upon the initial energy spectra and luminosities. We investigate the effect of generic variations of the fractional luminosities (l{sub e}, l{sub ē}, l{sub x}) with respect to the usual ''energy equipartition'' case (1/6, 1/6, 1/6), within an early-time supernova scenario with fixed thermal spectra and total luminosity. We represent the constraint l{sub e}+l{sub ē}+4l{sub x} = 1 in a ternary diagram, which is exploredmore » via numerical experiments (in single-angle approximation) over an evenly-spaced grid of points. In inverted hierarchy, single splits arise in most cases, but an abrupt transition to double splits is observed for a few points surrounding the equipartition one. In normal hierarchy, collective effects turn out to be unobservable at all grid points but one, where single splits occur. Admissible deviations from equipartition may thus induce dramatic changes in the shape of supernova (anti)neutrino spectra. The observed patterns are interpreted in terms of initial flavor polarization vectors (defining boundaries for the single/double split transitions), lepton number conservation, and minimization of potential energy.« less

  9. Efficient solar-to-fuels production from a hybrid microbial-water-splitting catalyst system.

    PubMed

    Torella, Joseph P; Gagliardi, Christopher J; Chen, Janice S; Bediako, D Kwabena; Colón, Brendan; Way, Jeffery C; Silver, Pamela A; Nocera, Daniel G

    2015-02-24

    Photovoltaic cells have considerable potential to satisfy future renewable-energy needs, but efficient and scalable methods of storing the intermittent electricity they produce are required for the large-scale implementation of solar energy. Current solar-to-fuels storage cycles based on water splitting produce hydrogen and oxygen, which are attractive fuels in principle but confront practical limitations from the current energy infrastructure that is based on liquid fuels. In this work, we report the development of a scalable, integrated bioelectrochemical system in which the bacterium Ralstonia eutropha is used to efficiently convert CO2, along with H2 and O2 produced from water splitting, into biomass and fusel alcohols. Water-splitting catalysis was performed using catalysts that are made of earth-abundant metals and enable low overpotential water splitting. In this integrated setup, equivalent solar-to-biomass yields of up to 3.2% of the thermodynamic maximum exceed that of most terrestrial plants. Moreover, engineering of R. eutropha enabled production of the fusel alcohol isopropanol at up to 216 mg/L, the highest bioelectrochemical fuel yield yet reported by >300%. This work demonstrates that catalysts of biotic and abiotic origin can be interfaced to achieve challenging chemical energy-to-fuels transformations.

  10. Band-Edge Exciton Fine Structure and Recombination Dynamics in InP/ZnS Colloidal Nanocrystals.

    PubMed

    Biadala, Louis; Siebers, Benjamin; Beyazit, Yasin; Tessier, Mickaël D; Dupont, Dorian; Hens, Zeger; Yakovlev, Dmitri R; Bayer, Manfred

    2016-03-22

    We report on a temperature-, time-, and spectrally resolved study of the photoluminescence of type-I InP/ZnS colloidal nanocrystals with varying core size. By studying the exciton recombination dynamics we assess the exciton fine structure in these systems. In addition to the typical bright-dark doublet, the photoluminescence stems from an upper bright state in spite of its large energy splitting (∼100 meV). This striking observation results from dramatically lengthened thermalization processes among the fine structure levels and points to optical-phonon bottleneck effects in InP/ZnS nanocrystals. Furthermore, our data show that the radiative recombination of the dark exciton scales linearly with the bright-dark energy splitting for CdSe and InP nanocrystals. This finding strongly suggests a universal dangling bonds-assisted recombination of the dark exciton in colloidal nanostructures.

  11. Periodical energy oscillation and pulse splitting in sinusoidal volume holographic grating.

    PubMed

    Yan, Xiaona; Gao, Lirun; Dai, Ye; Yang, Xihua; Chen, Yuanyuan; Ma, Guohong

    2014-07-28

    This paper presents dynamical diffraction properties of a femtosecond pulse in a sinusoidal volume holographic grating (VHG). By the modified coupled-wave equations of Kogelnik, we show that the diffraction of a femtosecond pulse on the VHG gives rise to periodical energy oscillation and pulse splitting. In the initial stage of diffraction, one diffracted pulse and one transmitted pulse emerge, and energy of the transmitted pulse periodically transfers to the diffracted pulse and vice versa. In the latter stage, both the diffracted and transmitted pulses split into two spatially separated pulses. One pair of transmitted and diffracted pulses propagates in the same direction and forms the output diffracted dual pulses of the VHG, and the other pair of pulses forms the output transmitted dual pulses. The pulse interval between each pair of dual pulses is in linearly proportional to the refractive index modulation and grating thickness. By the interference effect and group velocity difference we give explanations on the periodical energy oscillation and pulse splitting respectively.

  12. The new management policy: Indonesian PSC-Gross split applied on CO2 flooding project

    NASA Astrophysics Data System (ADS)

    Irham, S.; Sibuea, S. N.; Danu, A.

    2018-01-01

    “SIAD” oil field will be developed by CO2 flooding. CO2, a famous pollutant gas, is injected into the oil reservoir to optimize the oil recovery. This technique should be conducted economically according to the energy management policy in Indonesia. In general, Indonesia has two policy contracts on oil and gas: the old one is PSC-Cost-Recovery, and the new one is PSC-Gross-Split (introduced in 2017 as the new energy management plan). The contractor must choose between PSC-Cost-Recovery and PSC-Gross-Split which makes more profit. The aim of this paper is to show the best oil and gas contract policy for the contractor. The methods are calculating and comparing the economic indicators. The result of this study are (1) NPV for the PSC-Cost-Recovery is -46 MUS, while for the PSC-Gross-Split is 73 MUS, and (2) IRR for the PSC-Cost-Recovery is 9%, whereas for the PSC-Gross-Split is 11%. The conclusion is that the NPV and IRR for PSC-Gross-Split are greater than the NPV and IRR of PSC-Cost-Recovery, but POT in PSC-Gross-split is longer than POT in PSC-Cost-Recovery. Thus, in this case, the new energy policy contract can be applied for CO2 flooding technology since it yields higher economic indicators than its antecendent.

  13. "DNA Origami Traffic Lights" with a Split Aptamer Sensor for a Bicolor Fluorescence Readout.

    PubMed

    Walter, Heidi-Kristin; Bauer, Jens; Steinmeyer, Jeannine; Kuzuya, Akinori; Niemeyer, Christof M; Wagenknecht, Hans-Achim

    2017-04-12

    A split aptamer for adenosine triphosphate (ATP) was embedded as a recognition unit into two levers of a nanomechanical DNA origami construct by extension and modification of selected staple strands. An additional optical module in the stem of the split aptamer comprised two different cyanine-styryl dyes that underwent an energy transfer from green (donor) to red (acceptor) emission if two ATP molecules were bound as target molecule to the recognition module and thereby brought the dyes in close proximity. As a result, the ATP as a target triggered the DNA origami shape transition and yielded a fluorescence color change from green to red as readout. Conventional atomic force microscopy (AFM) images confirmed the topology change from the open form of the DNA origami in the absence of ATP into the closed form in the presence of the target molecule. The obtained closed/open ratios in the absence and presence of target molecules tracked well with the fluorescence color ratios and thereby validated the bicolor fluorescence readout. The correct positioning of the split aptamer as the functional unit farthest away from the fulcrum of the DNA origami was crucial for the aptasensing by fluorescence readout. The fluorescence color change allowed additionally to follow the topology change of the DNA origami aptasensor in real time in solution. The concepts of fluorescence energy transfer for bicolor readout in a split aptamer in solution, and AFM on surfaces, were successfully combined in a single DNA origami construct to obtain a bimodal readout. These results are important for future custom DNA devices for chemical-biological and bioanalytical purposes because they are not only working as simple aptamers but are also visible by AFM on the single-molecule level.

  14. La Saturated Absorption Spectroscopy for Applications in Quantum Information

    NASA Astrophysics Data System (ADS)

    Becker, Patrick; Donoghue, Liz; Dungan, Kristina; Liu, Jackie; Olmschenk, Steven

    2015-05-01

    Quantum information may revolutionize computation and communication by utilizing quantum systems based on matter quantum bits and entangled light. Ions are excellent candidates for quantum bits as they can be well-isolated from unwanted external influences by trapping and laser cooling. Doubly-ionized lanthanum in particular shows promise for use in quantum information as it has infrared transitions in the telecom band, with low attenuation in standard optical fiber, potentially allowing for long distance information transfer. However, the hyperfine splittings of the lowest energy levels, required for laser cooling, have not been measured. We present progress and recent results towards measuring the hyperfine splittings of these levels in lanthanum by saturated absorption spectroscopy with a hollow cathode lamp. This research is supported by the Army Research Office, Research Corporation for Science Advancement, and Denison University.

  15. Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

  16. One-Dimensional Metal-Oxide Nanostructures for Solar Photocatalytic Water-Splitting

    NASA Astrophysics Data System (ADS)

    Wang, Fengyun; Song, Longfei; Zhang, Hongchao; Luo, Linqu; Wang, Dong; Tang, Jie

    2017-08-01

    Because of their unique physical and chemical properties, one-dimensional (1-D) metal-oxide nanostructures have been extensively applied in the areas of gas sensors, electrochromic devices, nanogenerators, and so on. Solar water-splitting has attracted extensive research interest because hydrogen generated from solar-driven water splitting is a clean, sustainable, and abundant energy source that not only solves the energy crisis, but also protects the environment. In this comprehensive review, the main synthesis methods, properties, and especially prominent applications in solar water splitting of 1-D metal-oxides, including titanium dioxide (TiO2), zinc oxide (ZnO), tungsten trioxide (WO3), iron oxide (Fe2O3), and copper oxide (CuO) are fully discussed.

  17. Decorating CoP and Pt Nanoparticles on Graphitic Carbon Nitride Nanosheets to Promote Overall Water Splitting by Conjugated Polymers.

    PubMed

    Pan, Zhiming; Zheng, Yun; Guo, Fangsong; Niu, Pingping; Wang, Xinchen

    2017-01-10

    The splitting of water into H 2 and O 2 using solar energy is one of the key steps in artificial photosynthesis for the future production of renewable energy. Here, we show the first use of CoP and Pt nanoparticles as dual co-catalysts to modify graphitic carbon nitride (g-C 3 N 4 ) polymer to achieve overall water splitting under visible light irradiation. Our findings demonstrate that loading dual co-catalysts on delaminated g-C 3 N 4 imparts surface redox sites on the g-C 3 N 4 nanosheets that can not only promote catalytic kinetics but also promote charge separation and migration in the soft interface, thus improving the photocatalytic efficiency for overall water splitting. This robust, abundant, and stable photocatalyst based on covalent organic frameworks is demonstrated to hold great promise by forming heterojunctions with CoP and Pt for catalyzing the direct splitting of water into stoichiometric H 2 and O 2 using energy from photons. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Neutron-proton effective mass splitting in terms of symmetry energy and its density slope

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chakraborty, S.; Sahoo, B.; Sahoo, S., E-mail: sukadevsahoo@yahoo.com

    2015-01-15

    Using a simple density-dependent finite-range effective interaction having Yukawa form, the density dependence of isoscalar and isovector effective masses is studied. The isovector effective mass is found to be different for different pairs of like and unlike nucleons. Using HVH theorem, the neutron-proton effective mass splitting is represented in terms of symmetry energy and its density slope. It is again observed that the neutron-proton effective mass splitting has got a positive value when isoscalar effective mass is greater than the isovector effective mass and has a negative value for the opposite case. Furthermore, the neutron-proton effective mass splitting is foundmore » to have a linear dependence on asymmetry β. The second-order symmetry potential has a vital role in the determination of density slope of symmetry energy but it does not have any contribution on neutron-proton effective mass splitting. The finite-range effective interaction is compared with the SLy2, SKM, f{sub −}, f{sub 0}, and f{sub +} forms of interactions.« less

  19. Pragmatic mode-sum regularization method for semiclassical black-hole spacetimes

    NASA Astrophysics Data System (ADS)

    Levi, Adam; Ori, Amos

    2015-05-01

    Computation of the renormalized stress-energy tensor is the most serious obstacle in studying the dynamical, self-consistent, semiclassical evaporation of a black hole in 4D. The difficulty arises from the delicate regularization procedure for the stress-energy tensor, combined with the fact that in practice the modes of the field need to be computed numerically. We have developed a new method for numerical implementation of the point-splitting regularization in 4D, applicable to the renormalized stress-energy tensor as well as to ⟨ϕ2⟩ren , namely the renormalized ⟨ϕ2⟩. So far we have formulated two variants of this method: t -splitting (aimed for stationary backgrounds) and angular splitting (for spherically symmetric backgrounds). In this paper we introduce our basic approach, and then focus on the t -splitting variant, which is the simplest of the two (deferring the angular-splitting variant to a forthcoming paper). We then use this variant, as a first stage, to calculate ⟨ϕ2⟩ren in Schwarzschild spacetime, for a massless scalar field in the Boulware state. We compare our results to previous ones, obtained by a different method, and find full agreement. We discuss how this approach can be applied (using the angular-splitting variant) to analyze the dynamical self-consistent evaporation of black holes.

  20. Efficient solar-to-fuels production from a hybrid microbial–water-splitting catalyst system

    PubMed Central

    Torella, Joseph P.; Gagliardi, Christopher J.; Chen, Janice S.; Bediako, D. Kwabena; Colón, Brendan; Way, Jeffery C.; Silver, Pamela A.; Nocera, Daniel G.

    2015-01-01

    Photovoltaic cells have considerable potential to satisfy future renewable-energy needs, but efficient and scalable methods of storing the intermittent electricity they produce are required for the large-scale implementation of solar energy. Current solar-to-fuels storage cycles based on water splitting produce hydrogen and oxygen, which are attractive fuels in principle but confront practical limitations from the current energy infrastructure that is based on liquid fuels. In this work, we report the development of a scalable, integrated bioelectrochemical system in which the bacterium Ralstonia eutropha is used to efficiently convert CO2, along with H2 and O2 produced from water splitting, into biomass and fusel alcohols. Water-splitting catalysis was performed using catalysts that are made of earth-abundant metals and enable low overpotential water splitting. In this integrated setup, equivalent solar-to-biomass yields of up to 3.2% of the thermodynamic maximum exceed that of most terrestrial plants. Moreover, engineering of R. eutropha enabled production of the fusel alcohol isopropanol at up to 216 mg/L, the highest bioelectrochemical fuel yield yet reported by >300%. This work demonstrates that catalysts of biotic and abiotic origin can be interfaced to achieve challenging chemical energy-to-fuels transformations. PMID:25675518

  1. Holographic lens spectrum splitting photovoltaic system for increased diffuse collection and annual energy yield

    NASA Astrophysics Data System (ADS)

    Vorndran, Shelby D.; Wu, Yuechen; Ayala, Silvana; Kostuk, Raymond K.

    2015-09-01

    Concentrating and spectrum splitting photovoltaic (PV) modules have a limited acceptance angle and thus suffer from optical loss under off-axis illumination. This loss manifests itself as a substantial reduction in energy yield in locations where a significant portion of insulation is diffuse. In this work, a spectrum splitting PV system is designed to efficiently collect and convert light in a range of illumination conditions. The system uses a holographic lens to concentrate shortwavelength light onto a smaller, more expensive indium gallium phosphide (InGaP) PV cell. The high efficiency PV cell near the axis is surrounded with silicon (Si), a less expensive material that collects a broader portion of the solar spectrum. Under direct illumination, the device achieves increased conversion efficiency from spectrum splitting. Under diffuse illumination, the device collects light with efficiency comparable to a flat-panel Si module. Design of the holographic lens is discussed. Optical efficiency and power output of the module under a range of illumination conditions from direct to diffuse are simulated with non-sequential raytracing software. Using direct and diffuse Typical Metrological Year (TMY3) irradiance measurements, annual energy yield of the module is calculated for several installation sites. Energy yield of the spectrum splitting module is compared to that of a full flat-panel Si reference module.

  2. Effects of spin-orbit coupling and many-body correlations in STM transport through copper phthalocyanine.

    PubMed

    Siegert, Benjamin; Donarini, Andrea; Grifoni, Milena

    2015-01-01

    The interplay of exchange correlations and spin-orbit interaction (SOI) on the many-body spectrum of a copper phtalocyanine (CuPc) molecule and their signatures in transport are investigated. We first derive a minimal model Hamiltonian in a basis of frontier orbitals that is able to reproduce experimentally observed singlet-triplet splittings. In a second step SOI effects are included perturbatively. Major consequences of the SOI are the splitting of former degenerate levels and a magnetic anisotropy, which can be captured by an effective low-energy spin Hamiltonian. We show that scanning tunneling microscopy-based magnetoconductance measurements can yield clear signatures of both these SOI-induced effects.

  3. Objective research of auscultation signals in Traditional Chinese Medicine based on wavelet packet energy and support vector machine.

    PubMed

    Yan, Jianjun; Shen, Xiaojing; Wang, Yiqin; Li, Fufeng; Xia, Chunming; Guo, Rui; Chen, Chunfeng; Shen, Qingwei

    2010-01-01

    This study aims at utilising Wavelet Packet Transform (WPT) and Support Vector Machine (SVM) algorithm to make objective analysis and quantitative research for the auscultation in Traditional Chinese Medicine (TCM) diagnosis. First, Wavelet Packet Decomposition (WPD) at level 6 was employed to split more elaborate frequency bands of the auscultation signals. Then statistic analysis was made based on the extracted Wavelet Packet Energy (WPE) features from WPD coefficients. Furthermore, the pattern recognition was used to distinguish mixed subjects' statistical feature values of sample groups through SVM. Finally, the experimental results showed that the classification accuracies were at a high level.

  4. Building America Case Study: Occupant Comfort from a Mini-Split Heat Pump, San Antonio, Texas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    IBACOS worked with builder Imagine Homes to evaluate the performance of an occupied new construction test house following construction of the house in the hot, humid climate of San Antonio, Texas. The project measures the effectiveness of a space conditioning strategy using a multihead mini-split heat pump (MSHP) system in a reduced-load home to achieve acceptable comfort levels (temperature and humidity) and energy performance. IBACOS collected long-term data and analyzed the energy consumption and comfort conditions of the occupied house after one year of operation. Although measured results indicate that the test system provides comfort both inside and outside themore » ASHRAE Standard 55-2010 range, the occupants of the house claimed both adequate comfort and appreciation of the ease of use and flexibility of the installed MSHP system. IBACOS also assisted the builder to evaluate design and specification changes necessary to comply with Zero Energy Ready Home, but the builder chose to not move forward with it because of concerns about the 'solar ready' requirements of the program.« less

  5. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sousa-Silva, Clara; Tennyson, Jonathan; Yurchenko, Sergey N.

    Splitting due to tunnelling via the potential energy barrier has played a significant role in the study of molecular spectra since the early days of spectroscopy. The observation of the ammonia doublet led to attempts to find a phosphine analogous, but these have so far failed due to its considerably higher barrier. Full dimensional, variational nuclear motion calculations are used to predict splittings as a function of excitation energy. Simulated spectra suggest that such splittings should be observable in the near infrared via overtones of the ν{sub 2} bending mode starting with 4ν{sub 2}.

  6. Level Alignment as Descriptor for Semiconductor/Catalyst Systems in Water Splitting: The Case of Hematite/Cobalt Hexacyanoferrate Photoanodes.

    PubMed

    Hegner, Franziska Simone; Cardenas-Morcoso, Drialys; Giménez, Sixto; López, Núria; Galan-Mascaros, Jose Ramon

    2017-11-23

    The realization of artificial photosynthesis may depend on the efficient integration of photoactive semiconductors and catalysts to promote photoelectrochemical water splitting. Many efforts are currently devoted to the processing of multicomponent anodes and cathodes in the search for appropriate synergy between light absorbers and active catalysts. No single material appears to combine both features. Many experimental parameters are key to achieve the needed synergy between both systems, without clear protocols for success. Herein, we show how computational chemistry can shed some light on this cumbersome problem. DFT calculations are useful to predict adequate energy-level alignment for thermodynamically favored hole transfer. As proof of concept, we experimentally confirmed the limited performance enhancement in hematite photoanodes decorated with cobalt hexacyanoferrate as a competent water-oxidation catalyst. Computational methods describe the misalignment of their energy levels, which is the origin of this mismatch. Photoelectrochemical studies indicate that the catalyst exclusively shifts the hematite surface state to lower potentials, which therefore reduces the onset for water oxidation. Although kinetics will still depend on interface architecture, our simple theoretical approach may identify and predict plausible semiconductor/catalyst combinations, which will speed up experimental work towards promising photoelectrocatalytic systems. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Research of spin-orbit interaction in organic conjugated polymers

    NASA Astrophysics Data System (ADS)

    Li, H.; Zhou, M. Y.; Wu, S. Y.; Liang, X. R.

    2017-06-01

    The effect of spin-orbit interaction on the one-dimensional organic polymer was investigated theoretically. Spin-orbital interaction led to the spatial separation of energy band but did not eliminate spin degeneration, which was different from energy level splitting in the Zeeman Effect. Spin-orbit interaction had little effect on the energy band structure, charge density, and lattice position, etc.; Spin precession was obtained when a polaron was transported along the polymer chain, which theoretically proved that it was feasible to control the spin precession of polaron in organic polymers by the use of external electric field.

  8. 10 CFR 26.165 - Testing split specimens and retesting single specimens.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Testing split specimens and retesting single specimens. 26.165 Section 26.165 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Laboratories... laboratory or maintained in secure storage at the licensee testing facility, as required by § 26.135(a) and...

  9. Full Hybrid: Starting

    Science.gov Websites

    powers the vehicle at low speeds, it is larger and holds much more energy than batteries used to start also used to start the gasoline engine instantly when needed. Power Split Device: The power split low speeds, it is larger and holds much more energy than batteries used to start conventional vehicles

  10. TMD splitting functions in [Formula: see text] factorization: the real contribution to the gluon-to-gluon splitting.

    PubMed

    Hentschinski, M; Kusina, A; Kutak, K; Serino, M

    2018-01-01

    We calculate the transverse momentum dependent gluon-to-gluon splitting function within [Formula: see text]-factorization, generalizing the framework employed in the calculation of the quark splitting functions in Hautmann et al. (Nucl Phys B 865:54-66, arXiv:1205.1759, 2012), Gituliar et al. (JHEP 01:181, arXiv:1511.08439, 2016), Hentschinski et al. (Phys Rev D 94(11):114013, arXiv:1607.01507, 2016) and demonstrate at the same time the consistency of the extended formalism with previous results. While existing versions of [Formula: see text] factorized evolution equations contain already a gluon-to-gluon splitting function i.e. the leading order Balitsky-Fadin-Kuraev-Lipatov (BFKL) kernel or the Ciafaloni-Catani-Fiorani-Marchesini (CCFM) kernel, the obtained splitting function has the important property that it reduces both to the leading order BFKL kernel in the high energy limit, to the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) gluon-to-gluon splitting function in the collinear limit as well as to the CCFM kernel in the soft limit. At the same time we demonstrate that this splitting kernel can be obtained from a direct calculation of the QCD Feynman diagrams, based on a combined implementation of the Curci-Furmanski-Petronzio formalism for the calculation of the collinear splitting functions and the framework of high energy factorization.

  11. Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

    NASA Astrophysics Data System (ADS)

    Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

    2018-03-01

    The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

  12. Carbon dioxide splitting in a dielectric barrier discharge plasma: a combined experimental and computational study.

    PubMed

    Aerts, Robby; Somers, Wesley; Bogaerts, Annemie

    2015-02-01

    Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2 . We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Two-Photon Rabi Splitting in a Coupled System of a Nanocavity and Exciton Complexes.

    PubMed

    Qian, Chenjiang; Wu, Shiyao; Song, Feilong; Peng, Kai; Xie, Xin; Yang, Jingnan; Xiao, Shan; Steer, Matthew J; Thayne, Iain G; Tang, Chengchun; Zuo, Zhanchun; Jin, Kuijuan; Gu, Changzhi; Xu, Xiulai

    2018-05-25

    Two-photon Rabi splitting in a cavity-dot system provides a basis for multiqubit coherent control in a quantum photonic network. Here we report on two-photon Rabi splitting in a strongly coupled cavity-dot system. The quantum dot was grown intentionally large in size for a large oscillation strength and small biexciton binding energy. Both exciton and biexciton transitions couple to a high-quality-factor photonic crystal cavity with large coupling strengths over 130  μeV. Furthermore, the small binding energy enables the cavity to simultaneously couple with two exciton states. Thereby, two-photon Rabi splitting between the biexciton and cavity is achieved, which can be well reproduced by theoretical calculations with quantum master equations.

  14. Two-Photon Rabi Splitting in a Coupled System of a Nanocavity and Exciton Complexes

    NASA Astrophysics Data System (ADS)

    Qian, Chenjiang; Wu, Shiyao; Song, Feilong; Peng, Kai; Xie, Xin; Yang, Jingnan; Xiao, Shan; Steer, Matthew J.; Thayne, Iain G.; Tang, Chengchun; Zuo, Zhanchun; Jin, Kuijuan; Gu, Changzhi; Xu, Xiulai

    2018-05-01

    Two-photon Rabi splitting in a cavity-dot system provides a basis for multiqubit coherent control in a quantum photonic network. Here we report on two-photon Rabi splitting in a strongly coupled cavity-dot system. The quantum dot was grown intentionally large in size for a large oscillation strength and small biexciton binding energy. Both exciton and biexciton transitions couple to a high-quality-factor photonic crystal cavity with large coupling strengths over 130 μ eV . Furthermore, the small binding energy enables the cavity to simultaneously couple with two exciton states. Thereby, two-photon Rabi splitting between the biexciton and cavity is achieved, which can be well reproduced by theoretical calculations with quantum master equations.

  15. Energy splitting of excitons in gapped Dirac materials

    NASA Astrophysics Data System (ADS)

    Xiao, Di; Zhou, Jianhui; Shan, Wenyu; Yao, Wang; Okamoto, Satoshi

    2015-03-01

    We show that there is an energy splitting between excitons with opposite angular momentum in gapped Dirac materials, such as monolayers of transition metal dichalcogenides and gapped surface states of topological insulators. This splitting can be traced back to the chiral nature of Dirac electrons. We also discuss the optical selection rule of excitons in gap Dirac materials and clarify the relationship to its single-particle counterpart. A simple estimation of the splitting (~ 10 meV) in monolayer transition metal dichalcogenides is given . Our result reveals the limitation of the venerable hydrogenic model of excitons, and highlights the importance of the Berry phase in This work is supported by DOE (No. DE-SC0012509), and AFOSR (No. FA9550-14-1-0277).

  16. Detecting primordial gravitational waves with circular polarization of the redshifted 21 cm line. I. Formalism

    NASA Astrophysics Data System (ADS)

    Hirata, Christopher M.; Mishra, Abhilash; Venumadhav, Tejaswi

    2018-05-01

    We propose a new method to measure the tensor-to-scalar ratio r using the circular polarization of the 21 cm radiation from the pre-reionization epoch. Our method relies on the splitting of the F =1 hyperfine level of neutral hydrogen due to the quadrupole moment of the cosmic microwave background (CMB). We show that unlike the Zeeman effect, where MF=±1 have opposite energy shifts, the CMB quadrupole shifts MF=±1 together relative to MF=0 . This splitting leads to a small circular polarization of the emitted 21 cm radiation. In this paper (Paper I in a series on this effect), we present calculations on the microphysics behind this effect, accounting for all processes that affect the hyperfine transition. We conclude with an analytic formula for the circular polarization from the Dark Ages as a function of pre-reionization parameters and the value of the remote quadrupole of the CMB. We also calculate the splitting of the F =1 hyperfine level due to other anisotropic radiation sources and show that they are not dominant. In a companion paper (Paper II) we make forecasts for measuring the tensor-to-scalar ratio r using future radio arrays.

  17. Understanding the magnetoelastic behavior of pure and Co substituted GdNi

    NASA Astrophysics Data System (ADS)

    Paudyal, Durga; Mudryk, Y.; Pecharsky, V. K.; Gschneidner, K. A., Jr.

    Total-energy calculations employing local spin density approximation including Hubbard U (onsite electron correlation) parameter and temperature and magnetic field dependent x-ray diffraction experiments show large anisotropic shifts in lattice parameters and a giant linear magnetostriction without a structural transformation and a negligible volume magnetostriction in GdNi. In agreement with the magnetization and heat-capacity experiments, the total-energy and band splitting results confirm that the anisotropic shape changes in GdNi are associated with the second-order ferromagnetic to paramagnetic transformation. When the band splitting due to the ferromagnetic ordering of the 4 fmoments increases, the concomitant anisotropic changes in the lattice minimize the total free energy of the crystal indicating an unusual interplay between magnetism and crystal structure. The positive formation energy at 0K and the nature of the density of states at the Fermi level confirm an unstable equiatomic Gd compound when Ni is fully substituted by Co. However, the enhanced effective exchange interactions with small Co substitutions increase the Curie temperature without losing the chemical stability. The Ames Laboratory is operated for the US DOE by Iowa State. This work was supported by the DOE, Office of Basic Energy Sciences, Materials Sciences Division under Contract No. DE-AC02-07CH11358.

  18. Optical properties of BaY2F8:Ce3+

    NASA Astrophysics Data System (ADS)

    Fabeni, P.; di Martino, D.; Nikl, M.; Pazzi, G. P.; Sani, E.; Toncelli, A.; Tonelli, M.; Vedda, A.

    2005-01-01

    The optical properties of Ce3+-doped BaY2F8 crystals were investigated under selective laser excitation and X-ray irradiation. In both cases, the emission spectrum is dominated by the characteristic doublet transition from the lowest energy level of the 5d configuration to the spin-orbit split 2F ground state of Ce3+. Excitation bands at 4.1, 5.0, 5.9 and 6.2 eV, due to transitions between 4f and split 5d levels were observed. The emission time decay was satisfactorily analyzed by a single exponential component, characterized by a decay time of approximately 28 ns at 10 K and slightly increasing with temperature. A monotonic temperature quenching of the photo-luminescence intensity was observed; on the other hand, the temperature dependence of radio-luminescence intensity is modulated by the presence of shallow traps competing with Ce3+ ions in carrier trapping during irradiation.

  19. Anomalous Rashba spin-orbit interaction in electrically controlled topological insulator based on InN/GaN quantum wells

    NASA Astrophysics Data System (ADS)

    Łepkowski, Sławomir P.; Bardyszewski, Witold

    2017-05-01

    We study theoretically the topological phase transition and the Rashba spin-orbit interaction in electrically biased InN/GaN quantum wells. We show that that for properly chosen widths of quantum wells and barriers, one can effectively tune the system through the topological phase transition applying an external electric field perpendicular to the QW plane. We find that in InN/GaN quantum wells with the inverted band structure, when the conduction band s-type level is below the heavy hole and light hole p-type levels, the spin splitting of the subbands decreases with increasing the amplitude of the electric field in the quantum wells, which reveals the anomalous Rashba effect. Derived effective Rashba Hamiltonians can describe the subband spin splitting only for very small wave vectors due to strong coupling between the subbands. Furthermore, we demonstrate that for InN/GaN quantum wells in a Hall bar geometry, the critical voltage for the topological phase transition depends distinctly on the width of the structure and a significant spin splitting of the edge states lying in the 2D band gap can be almost switched off by increasing the electric field in quantum wells only by a few percent. We show that the dependence of the spin splitting of the upper branch of the edge state dispersion curve on the wave vector has a threshold-like behavior with the on/off spin splitting ratio reaching two orders of magnitude for narrow Hall bars. The threshold wave vector depends weakly on the Hall bar width, whereas it increases significantly with the bias voltage due to an increase of the energetic distance between the s-type and p-type quantum well energy levels and a reduction of the coupling between the subbands.

  20. Anomalous Rashba spin-orbit interaction in electrically controlled topological insulator based on InN/GaN quantum wells.

    PubMed

    Łepkowski, Sławomir P; Bardyszewski, Witold

    2017-05-17

    We study theoretically the topological phase transition and the Rashba spin-orbit interaction in electrically biased InN/GaN quantum wells. We show that that for properly chosen widths of quantum wells and barriers, one can effectively tune the system through the topological phase transition applying an external electric field perpendicular to the QW plane. We find that in InN/GaN quantum wells with the inverted band structure, when the conduction band s-type level is below the heavy hole and light hole p-type levels, the spin splitting of the subbands decreases with increasing the amplitude of the electric field in the quantum wells, which reveals the anomalous Rashba effect. Derived effective Rashba Hamiltonians can describe the subband spin splitting only for very small wave vectors due to strong coupling between the subbands. Furthermore, we demonstrate that for InN/GaN quantum wells in a Hall bar geometry, the critical voltage for the topological phase transition depends distinctly on the width of the structure and a significant spin splitting of the edge states lying in the 2D band gap can be almost switched off by increasing the electric field in quantum wells only by a few percent. We show that the dependence of the spin splitting of the upper branch of the edge state dispersion curve on the wave vector has a threshold-like behavior with the on/off spin splitting ratio reaching two orders of magnitude for narrow Hall bars. The threshold wave vector depends weakly on the Hall bar width, whereas it increases significantly with the bias voltage due to an increase of the energetic distance between the s-type and p-type quantum well energy levels and a reduction of the coupling between the subbands.

  1. Water splitting on semiconductor catalysts under visible-light irradiation.

    PubMed

    Navarro Yerga, Rufino M; Alvarez Galván, M Consuelo; del Valle, F; Villoria de la Mano, José A; Fierro, José L G

    2009-01-01

    Sustainable hydrogen production is a key target for the development of alternative, future energy systems that will provide a clean and affordable energy supply. The Sun is a source of silent and precious energy that is distributed fairly all over the Earth daily. However, its tremendous potential as a clean, safe, and economical energy source cannot be exploited unless the energy is accumulated or converted into more useful forms. The conversion of solar energy into hydrogen via the water-splitting process, assisted by photo-semiconductor catalysts, is one of the most promising technologies for the future because large quantities of hydrogen can potentially be generated in a clean and sustainable manner. This Minireview provides an overview of the principles, approaches, and research progress on solar hydrogen production via the water-splitting reaction on photo-semiconductor catalysts. It presents a survey of the advances made over the last decades in the development of catalysts for photochemical water splitting under visible-light irradiation. The Minireview also analyzes the energy requirements and main factors that determine the activity of photocatalysts in the conversion of water into hydrogen and oxygen using sunlight. Remarkable progress has been made since the pioneering work by Fujishima and Honda in 1972, but he development of photocatalysts with improved efficiencies for hydrogen production from water using solar energy still faces major challenges. Research strategies and approaches adopted in the search for active and efficient photocatalysts, for example through new materials and synthesis methods, are presented and analyzed.

  2. Todd G. Deutsch | NREL

    Science.gov Websites

    page. Research Interests Solar energy conversion to hydrogen fuel via PEC water splitting III-V ://orcid.org/0000-0001-6577-1226 Dr. Deutsch has been studying photoelectrochemical (PEC) water splitting since semiconductor water-splitting systems under the joint guidance of Dr. Turner and Prof. Carl A. Koval in the

  3. 76 FR 19759 - Energy Conservation Program for Certain Industrial Equipment: Publication of the Petition for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-08

    ... (``VRF'') multi-split systems. Carrier requests this waiver for the SMMSi systems because the basic design of VRF multi-split systems prevents testing or rating according to DOE's prescribed test... adopted by AHRI--``ANSI/AHRI 1230--2010: Performance Rating of Variable Refrigerant Flow (VRF) Multi-Split...

  4. Hydrogen generation due to water splitting on Si - terminated 4H-Sic(0001) surfaces

    NASA Astrophysics Data System (ADS)

    Li, Qingfang; Li, Qiqi; Yang, Cuihong; Rao, Weifeng

    2018-02-01

    The chemical reactions of hydrogen gas generation via water splitting on Si-terminated 4H-SiC surfaces with or without C/Si vacancies were studied by using first-principles. We studied the reaction mechanisms of hydrogen generation on the 4H-SiC(0001) surface. Our calculations demonstrate that there are major rearrangements in surface when H2O approaches the SiC(0001) surface. The first H splitting from water can occur with ground-state electronic structures. The second H splitting involves an energy barrier of 0.65 eV. However, the energy barrier for two H atoms desorbing from the Si-face and forming H2 gas is 3.04 eV. In addition, it is found that C and Si vacancies can form easier in SiC(0001)surfaces than in SiC bulk and nanoribbons. The C/Si vacancies introduced can enhance photocatalytic activities. It is easier to split OH on SiC(0001) surface with vacancies compared to the case of clean SiC surface. H2 can form on the 4H-SiC(0001) surface with C and Si vacancies if the energy barriers of 1.02 and 2.28 eV are surmounted, respectively. Therefore, SiC(0001) surface with C vacancy has potential applications in photocatalytic water-splitting.

  5. Solar water splitting by photovoltaic-electrolysis with a solar-to-hydrogen efficiency over 30%

    PubMed Central

    Jia, Jieyang; Seitz, Linsey C.; Benck, Jesse D.; Huo, Yijie; Chen, Yusi; Ng, Jia Wei Desmond; Bilir, Taner; Harris, James S.; Jaramillo, Thomas F.

    2016-01-01

    Hydrogen production via electrochemical water splitting is a promising approach for storing solar energy. For this technology to be economically competitive, it is critical to develop water splitting systems with high solar-to-hydrogen (STH) efficiencies. Here we report a photovoltaic-electrolysis system with the highest STH efficiency for any water splitting technology to date, to the best of our knowledge. Our system consists of two polymer electrolyte membrane electrolysers in series with one InGaP/GaAs/GaInNAsSb triple-junction solar cell, which produces a large-enough voltage to drive both electrolysers with no additional energy input. The solar concentration is adjusted such that the maximum power point of the photovoltaic is well matched to the operating capacity of the electrolysers to optimize the system efficiency. The system achieves a 48-h average STH efficiency of 30%. These results demonstrate the potential of photovoltaic-electrolysis systems for cost-effective solar energy storage. PMID:27796309

  6. Solar water splitting by photovoltaic-electrolysis with a solar-to-hydrogen efficiency over 30.

    PubMed

    Jia, Jieyang; Seitz, Linsey C; Benck, Jesse D; Huo, Yijie; Chen, Yusi; Ng, Jia Wei Desmond; Bilir, Taner; Harris, James S; Jaramillo, Thomas F

    2016-10-31

    Hydrogen production via electrochemical water splitting is a promising approach for storing solar energy. For this technology to be economically competitive, it is critical to develop water splitting systems with high solar-to-hydrogen (STH) efficiencies. Here we report a photovoltaic-electrolysis system with the highest STH efficiency for any water splitting technology to date, to the best of our knowledge. Our system consists of two polymer electrolyte membrane electrolysers in series with one InGaP/GaAs/GaInNAsSb triple-junction solar cell, which produces a large-enough voltage to drive both electrolysers with no additional energy input. The solar concentration is adjusted such that the maximum power point of the photovoltaic is well matched to the operating capacity of the electrolysers to optimize the system efficiency. The system achieves a 48-h average STH efficiency of 30%. These results demonstrate the potential of photovoltaic-electrolysis systems for cost-effective solar energy storage.

  7. All solution-processed lead halide perovskite-BiVO4 tandem assembly for photolytic solar fuels production.

    PubMed

    Chen, Yong-Siou; Manser, Joseph S; Kamat, Prashant V

    2015-01-21

    The quest for economic, large-scale hydrogen production has motivated the search for new materials and device designs capable of splitting water using only energy from the sun. Here we introduce an all solution-processed tandem water splitting assembly composed of a BiVO4 photoanode and a single-junction CH3NH3PbI3 hybrid perovskite solar cell. This unique configuration allows efficient solar photon management, with the metal oxide photoanode selectively harvesting high energy visible photons, and the underlying perovskite solar cell capturing lower energy visible-near IR wavelengths in a single-pass excitation. Operating without external bias under standard AM 1.5G illumination, the photoanode-photovoltaic architecture, in conjunction with an earth-abundant cobalt phosphate catalyst, exhibits a solar-to-hydrogen conversion efficiency of 2.5% at neutral pH. The design of low-cost tandem water splitting assemblies employing single-junction hybrid perovskite materials establishes a potentially promising new frontier for solar water splitting research.

  8. Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

    NASA Astrophysics Data System (ADS)

    Urru, Andrea; Dal Corso, Andrea

    2018-05-01

    We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

  9. Improving analytical methods for protein-protein interaction through implementation of chemically inducible dimerization

    PubMed Central

    Andersen, Tonni Grube; Nintemann, Sebastian J.; Marek, Magdalena; Halkier, Barbara A.; Schulz, Alexander; Burow, Meike

    2016-01-01

    When investigating interactions between two proteins with complementary reporter tags in yeast two-hybrid or split GFP assays, it remains troublesome to discriminate true- from false-negative results and challenging to compare the level of interaction across experiments. This leads to decreased sensitivity and renders analysis of weak or transient interactions difficult to perform. In this work, we describe the development of reporters that can be chemically induced to dimerize independently of the investigated interactions and thus alleviate these issues. We incorporated our reporters into the widely used split ubiquitin-, bimolecular fluorescence complementation (BiFC)- and Förster resonance energy transfer (FRET)- based methods and investigated different protein-protein interactions in yeast and plants. We demonstrate the functionality of this concept by the analysis of weakly interacting proteins from specialized metabolism in the model plant Arabidopsis thaliana. Our results illustrate that chemically induced dimerization can function as a built-in control for split-based systems that is easily implemented and allows for direct evaluation of functionality. PMID:27282591

  10. TH-CD-202-04: Evaluation of Virtual Non-Contrast Images From a Novel Split-Filter Dual-Energy CT Technique

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, J; Szczykutowicz, T; Bayouth, J

    Purpose: To compare the ability of two dual-energy CT techniques, a novel split-filter single-source technique of superior temporal resolution against an established sequential-scan technique, to remove iodine contrast from images with minimal impact on CT number accuracy. Methods: A phantom containing 8 tissue substitute materials and vials of varying iodine concentrations (1.7–20.1 mg I /mL) was imaged using a Siemens Edge CT scanner. Dual-energy virtual non-contrast (VNC) images were generated using the novel split-filter technique, in which a 120kVp spectrum is filtered by tin and gold to create high- and low-energy spectra with < 1 second temporal separation between themore » acquisition of low- and high-energy data. Additionally, VNC images were generated with the sequential-scan technique (80 and 140kVp) for comparison. CT number accuracy was evaluated for all materials at 15, 25, and 35mGy CTDIvol. Results: The spectral separation was greater for the sequential-scan technique than the split-filter technique with dual-energy ratios of 2.18 and 1.26, respectively. Both techniques successfully removed iodine contrast, resulting in mean CT numbers within 60HU of 0HU (split-filter) and 40HU of 0HU (sequential-scan) for all iodine concentrations. Additionally, for iodine vials of varying diameter (2–20 mm) with the same concentration (9.9 mg I /mL), the system accurately detected iodine for all sizes investigated. Both dual-energy techniques resulted in reduced CT numbers for bone materials (by >400HU for the densest bone). Increasing the imaging dose did not improve the CT number accuracy for bone in VNC images. Conclusion: VNC images from the split-filter technique successfully removed iodine contrast. These results demonstrate a potential for improving dose calculation accuracy and reducing patient imaging dose, while achieving superior temporal resolution in comparison sequential scans. For both techniques, inaccuracies in CT numbers for bone materials necessitate consideration for radiation therapy treatment planning.« less

  11. Solvable multistate model of Landau-Zener transitions in cavity QED

    DOE PAGES

    Sinitsyn, Nikolai; Li, Fuxiang

    2016-06-29

    We consider the model of a single optical cavity mode interacting with two-level systems (spins) driven by a linearly time-dependent field. When this field passes through values at which spin energy level splittings become comparable to spin coupling to the optical mode, a cascade of Landau-Zener (LZ) transitions leads to co-flips of spins in exchange for photons of the cavity. We derive exact transition probabilities between different diabatic states induced by such a sweep of the field.

  12. Magneto-Optics of Massive Dirac Fermions in Bulk Bi2Se3

    NASA Astrophysics Data System (ADS)

    Orlita, M.; Piot, B. A.; Martinez, G.; Kumar, N. K. Sampath; Faugeras, C.; Potemski, M.; Michel, C.; Hankiewicz, E. M.; Brauner, T.; Drašar, Č.; Schreyeck, S.; Grauer, S.; Brunner, K.; Gould, C.; Brüne, C.; Molenkamp, L. W.

    2015-05-01

    We report on magneto-optical studies of Bi2Se3, a representative member of the 3D topological insulator family. Its electronic states in bulk are shown to be well described by a simple Dirac-type Hamiltonian for massive particles with only two parameters: the fundamental band gap and the band velocity. In a magnetic field, this model implies a unique property—spin splitting equal to twice the cyclotron energy: Es=2 Ec. This explains the extensive magnetotransport studies concluding a fortuitous degeneracy of the spin and orbital split Landau levels in this material. The Es=2 Ec match differentiates the massive Dirac electrons in bulk Bi2Se3 from those in quantum electrodynamics, for which Es=Ec always holds.

  13. Transition metal ions in ZnO: Effects of intrashell coulomb repulsion on electronic properties

    NASA Astrophysics Data System (ADS)

    Ciechan, A.; Bogusławski, P.

    2018-05-01

    Electronic structure of the transition metal (TM) dopants in ZnO is calculated by first principles approach. Analysis of the results is focused on the properties determined by the intrashell Coulomb coupling. The role of both direct and exchange interaction channel is analyzed. The coupling is manifested in the strong charge state dependence of the TM gap levels, which leads to the metastability of photoexcited Mn, and determines the accessible equilibrium charge states of TM ions. The varying magnitude of the exchange coupling is reflected in the dependence of the spin splitting energy on the chemical identity across the 3d series, as well as the charge state dependence of spin-up spin-down exchange splitting.

  14. Quasi-particle spectrum in trilayer graphene: Role of onsite coulomb interaction and interlayer coupling

    NASA Astrophysics Data System (ADS)

    Kumar, Sanjay; Ajay

    2015-01-01

    Stacking dependent quasi-particle spectrum and density of states (DOS) in trilayer (ABC-, ABA- and AAA-stacked) graphene are analyzed using mean-field Green's function equations of motion method. Interlayer coupling (t1) is found to be responsible for the splitting of quasi-particle peaks in each stacking order. Coulomb interaction suppresses the trilayer splitting and generates a finite gap at Fermi level in ABC- while a tiny gap in ABA-stacked trilayer graphene. Influence of t⊥ is prominent for AAA-stacking as compared to ABC- and ABA-stacking orders. The theoretically obtained quasi-particle energies and DOS has been viewed in terms of recent angle resolved photoemission spectroscopic (ARPES) and scanning tunneling microscopic (STM) data available on these systems.

  15. Strong Landau-quantization effects in high-magnetic-field superconductivity of a two-dimensional multiple-band metal near the Lifshitz transition

    DOE PAGES

    Song, Kok Wee; Koshelev, Alexei E.

    2017-05-04

    We investigate the onset of superconductivity in a magnetic field for a clean two-dimensional multiple-band superconductor in the vicinity of the Lifshitz transition when one of the bands is very shallow. Due to the small number of carriers in this band, the quasiclassical Werthamer-Helfand approximation breaks down and Landau quantization has to be taken into account. We found that the transition temperature T C2( H) has giant oscillations and is resonantly enhanced at the magnetic fields corresponding to the matching of the chemical potential with the Landau levels in the shallow band. This enhancement is especially pronounced for the lowestmore » Landau level. As a consequence, the reentrant superconducting regions in the temperature-field phase diagram emerge at low temperatures near the magnetic fields at which the shallow-band Landau levels cross the chemical potential. The specific behavior depends on the relative strength of the intraband and interband pairing interactions and the reentrance is most pronounced in the purely interband coupling scenario. The reentrant behavior is suppressed by the Zeeman spin splitting in the shallow band; the separated regions disappear already for very small spin-splitting factors. On the other hand, the reentrance is restored in the resonance cases when the spin-splitting energy exactly matches the separation between the Landau levels. As a result, the predicted behavior may be realized in the gate-tuned FeSe monolayer.« less

  16. Strong Landau-quantization effects in high-magnetic-field superconductivity of a two-dimensional multiple-band metal near the Lifshitz transition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Song, Kok Wee; Koshelev, Alexei E.

    We investigate the onset of superconductivity in a magnetic field for a clean two-dimensional multiple-band superconductor in the vicinity of the Lifshitz transition when one of the bands is very shallow. Due to the small number of carriers in this band, the quasiclassical Werthamer-Helfand approximation breaks down and Landau quantization has to be taken into account. We found that the transition temperature T C2( H) has giant oscillations and is resonantly enhanced at the magnetic fields corresponding to the matching of the chemical potential with the Landau levels in the shallow band. This enhancement is especially pronounced for the lowestmore » Landau level. As a consequence, the reentrant superconducting regions in the temperature-field phase diagram emerge at low temperatures near the magnetic fields at which the shallow-band Landau levels cross the chemical potential. The specific behavior depends on the relative strength of the intraband and interband pairing interactions and the reentrance is most pronounced in the purely interband coupling scenario. The reentrant behavior is suppressed by the Zeeman spin splitting in the shallow band; the separated regions disappear already for very small spin-splitting factors. On the other hand, the reentrance is restored in the resonance cases when the spin-splitting energy exactly matches the separation between the Landau levels. As a result, the predicted behavior may be realized in the gate-tuned FeSe monolayer.« less

  17. ZnO/CuO/M (M = Ag, Au) Hierarchical Nanostructure by Successive Photoreduction Process for Solar Hydrogen Generation.

    PubMed

    Kwon, Jinhyeong; Cho, Hyunmin; Jung, Jinwook; Lee, Habeom; Hong, Sukjoon; Yeo, Junyeob; Han, Seungyong; Ko, Seung Hwan

    2018-05-12

    To date, solar energy generation devices have been widely studied to meet a clean and sustainable energy source. Among them, water splitting photoelectrochemical cell is regarded as a promising energy generation way for splitting water molecules and generating hydrogen by sunlight. While many nanostructured metal oxides are considered as a candidate, most of them have an improper bandgap structure lowering energy transition efficiency. Herein, we introduce a novel wet-based, successive photoreduction process that can improve charge transfer efficiency by surface plasmon effect for a solar-driven water splitting device. The proposed process enables to fabricate ZnO/CuO/Ag or ZnO/CuO/Au hierarchical nanostructure, having an enhanced electrical, optical, photoelectrochemical property. The fabricated hierarchical nanostructures are demonstrated as a photocathode in the photoelectrochemical cell and characterized by using various analytic tools.

  18. Energy distribution analysis in boosted HCCI-like / LTGC engines – Understanding the trade-offs to maximize the thermal efficiency

    DOE PAGES

    Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

    2015-04-14

    A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

  19. ZnO/CuO/M (M = Ag, Au) Hierarchical Nanostructure by Successive Photoreduction Process for Solar Hydrogen Generation

    PubMed Central

    Kwon, Jinhyeong; Cho, Hyunmin; Jung, Jinwook; Lee, Habeom; Han, Seungyong

    2018-01-01

    To date, solar energy generation devices have been widely studied to meet a clean and sustainable energy source. Among them, water splitting photoelectrochemical cell is regarded as a promising energy generation way for splitting water molecules and generating hydrogen by sunlight. While many nanostructured metal oxides are considered as a candidate, most of them have an improper bandgap structure lowering energy transition efficiency. Herein, we introduce a novel wet-based, successive photoreduction process that can improve charge transfer efficiency by surface plasmon effect for a solar-driven water splitting device. The proposed process enables to fabricate ZnO/CuO/Ag or ZnO/CuO/Au hierarchical nanostructure, having an enhanced electrical, optical, photoelectrochemical property. The fabricated hierarchical nanostructures are demonstrated as a photocathode in the photoelectrochemical cell and characterized by using various analytic tools. PMID:29757225

  20. 76 FR 31951 - Energy Conservation Program for Certain Commercial and Industrial Equipment: Decision and Order...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-02

    ... specific to the Carrier Super Modular Multi-System (SMMSi) variable refrigerant flow (VRF) multi-split... in this notice to test and rate its SMMSi VRF multi-split commercial heat pumps. DATES: This Decision... its SMMSi VRF multi-split products. Carrier must use the alternate test procedure provided in this...

  1. Reduction of Biomass Moisture by Crushing/Splitting - A Concept

    Treesearch

    Paul E. Barnett; Donald L. Sirois; Colin Ashmore

    1986-01-01

    A biomass crusher/splitter concept is presented as a possible n&ant of tsafntainfng rights-of-way (ROW) or harvesting energy wood plantations. The conceptual system would cut, crush, and split small woody biomass leaving it in windrows for drying. A subsequent operation would bale and transport the dried material for use as an energy source. A survey of twenty...

  2. Layer Splitting in a Complex Plasma

    NASA Astrophysics Data System (ADS)

    Smith, Bernard; Hyde, Truell; Matthews, Lorin; Johnson, Megan; Cook, Mike; Schmoke, Jimmy

    2009-11-01

    Dust particle clouds are found in most plasma processing environments and many astrophysical environments. Dust particles suspended within such plasmas often acquire an electric charge from collisions with free electrons in the plasma. Depending upon the ratio of interparticle potential energy to average kinetic energy, charged dust particles can form a gaseous, liquid or crystalline structure with short to longer range ordering. An interesting facet of complex plasma behavior is that particle layers appear to split as the DC bias is increased. This splitting of layers points to a phase transition differing from the normal phase transitions found in two-dimensional solids. In 1993, Dubin noted that as the charged particle density of an initially two-dimensional Coulomb crystal increases the system's layers split at specific charge densities. This work modeled ions in a Paul or Penning trap, but may be applicable to dusty plasma systems as well. This work will discuss this possibility along with splitting observed in the CASPER GEC rf Reference Cell at specific pressures and powers.

  3. Pan Am gets big savings at no cost

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tanz, D.

    Pan American World Airways' contract with an energy management control systems distributor enabled the company's terminal and maintenance facilities at JFK airport in New York to shift from housekeeping to major savings without additional cost. Energy savings from a pneumatic control system were split almost equally between Pan Am and Thomas S. Brown Associates (TSBA) Inc., and further savings are expected from a planned computer-controlled system. A full-time energy manager, able to give top priority to energy-consumption problems, was considered crucial to the program's success. Early efforts in light-level reduction and equipment scheduling required extensive persuasion and policing, but successfulmore » energy savings allowed the manager to progress to the more-extensive plants with TSBA.« less

  4. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

    A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

  5. Pure MW Data for v=0-6 of PbI Give Vibrational Spacings and a Full Analytic Potential Energy Function

    NASA Astrophysics Data System (ADS)

    Yoo, Ji Ho (Chris); Evans, Corey; Walker, Nick; Le Roy, Robert J.

    2015-06-01

    At last year's ISMS meeting, Zaleski et al. reported new broadband MW spectroscopy measurements of pure rotational transitions in the v=0-6 levels of the ^2Π1/2 ground electronic state of PbI. The analysis presented at that time was a conventional v-level by v-level `band-constant' analysis performed using the PGopher program. That level-by-level PGopher analysis yielded values of B_v, D_v and five spin-splitting parameters for each vibrational level of each isotopologue. Ignoring the spin-splitting information, the B_v and D_v values were used to generate a set of synthetic pure R(0) transitions for each level that were taken to represent the ``mechanical'' information about the molecule contained in these spectra. A standard direct-potential-fit (DPF) analysis was then used to fit these data to an ``Expanded Morse Oscillator'' (EMO) potential function form. The well-depth parameter D_e was fixed at the literature value, while values of the equilibrium distance r_e and three EMO exponent-coefficient expansion `potential shape' parameters are determined from the fits. The best fits to the data yield potentials whose fundamental vibrational spacings are in excellent agreement with experiment together with reliable predictions for the first five overtone energies. D.P. Zaleski, H. Köckert, S.L. Stephens, N. Walker, L.-M. Dickens, and C. Evans, paper RE08 at the 69th International Symposium on Molecular Spectroscopy, University of Illinois (2014). PGopher - a Program for Simulating Rotational Structure, C. M. Western, University of Bristol, http://pgopher.chm.bris.ac.uk DPotFit 2.0: A Computer Program for fitting Diatomic Molecule Spectra to Potential Energy Functions, R.J. Le Roy, J. Seto and Y. Huang, University of Waterloo Chemical Physics Research Report CP-667 (2013); see http://leroy.uwaterloo.ca/programs/. K. Ziebarth, R. Breidohr, O. Shestakov and E.H. Fink, Chem. Phys. Lett. 190, 271 (1992).

  6. Performance of Variable Capacity Heat Pumps in a Mixed Humid Climate

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Munk, Jeffrey D; Gehl, Anthony C; Jackson, Roderick K

    2012-04-01

    Variable capacity heat pumps represent the next wave of technology for heat pumps. In this report, the performance of two variable capacity heat pumps (HPs) is compared to that of a single or two stage baseline system. The units were installed in two existing research houses located in Knoxville, TN. These houses were instrumented to collect energy use and temperature data while both the baseline systems and variable capacity systems were installed. The homes had computer controlled simulated occupancy, which provided consistent schedules for hot water use and lighting. The temperature control and energy use of the systems were comparedmore » during both the heating and cooling seasons. Multiple linear regression models were used along with TMY3 data for Knoxville, TN in order to normalize the effect that the outdoor air temperature has on energy use. This enables a prediction of each system's energy use over a year with the same weather. The first system was a multi-split system consisting of 8 indoor units and a single outdoor unit. This system replaced a 16 SEER single stage HP with a zoning system, which served as the baseline. Data was collected on the baseline system from August 2009 to December 2010 and on the multi-split system from January 2011 to January 2012. Soon after the installation of the multi-split system, some of the smaller rooms began over-conditioning. This was determined to be caused by a small amount of continuous refrigerant flow to all of the indoor units when the outdoor unit was running regardless of whether they were calling for heat. This, coupled with the fact that the indoor fans run continuously, was providing enough heat in some rooms to exceed the set point. In order to address this, the indoor fans were disabled when not actively heating per the manufacturer's recommendation. Based on the measured data, the multi-split system was predicted to use 40% more energy in the heating season and 16% more energy in the cooling season than the baseline system, for the typical meteorological year weather data. The AHRI ratings indicated that the baseline system would perform slightly better than the multi-split system, but not by as large of a margin as seen in this study. The multi-split system was able to maintain more consistent temperature throughout the house than the baseline system, but it did allow relative humidity levels to increase above 60% in the summer. The second system was a split system with an inverter driven compressor and a single ducted air handler. This unit replaced a 16 SEER two stage HP with a zoning system. Data was collected on the baseline system from July 2009 to November 2010 and on the ducted inverter system from December 2010 to January 2012. The ducted inverter system did not offer a zone controller, so it functioned as a single zone system. Due to this fact, the registers had to be manually adjusted in order to better maintain consistent temperatures between the two levels of the house. The predicted heating season energy use for the ducted inverter system, based on the measured energy use, was 30% less than that of the baseline system for the typical meteorological year. However, the baseline system was unable to operate in its high stage due to a wiring issue with the zone controller. This resulted in additional resistance heat use during the winter and therefore higher energy use than would be expected in a properly performing unit. The AHRI ratings would indicate that the baseline system would use less energy than the ducted inverter system, which is opposite to the results of this study. During the cooling season, the ducted inverter system was predicted to use 23% more energy than the baseline system during the typical meteorological year. This is also opposite of the results expected by comparing the AHRI ratings. After a detailed comparison of the ducted inverter system's power use compared to that of a recently installed identical system at a retro-fit study house, there is concern that the unit is not operating as intended. The power use and cycles indicate that the unit is performing more like a single stage unit than a variable capacity unit. Analysis of the data indicates that a change in operating behavior occurred during a service call shortly after the installation of the unit. The logbook only indicates that refrigerant charge was added, but does not indicate any other change. This is being investigated further. While the energy comparison results of these two variable capacity heat pumps is generally underwhelming, it is difficult to draw any hard conclusions about the maximum attainable efficiency of these units when optimally installed. Both units appear to have undesirable conditions associated with the installation or operation, which could have had an adverse effect on their energy use.« less

  7. Asymmetric valley-resolved beam splitting and incident modes in slanted graphene junctions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hsieh, S. H.; Chu, C. S.

    2016-01-18

    Electron injection into a graphene sheet through a slanted armchair graphene nanoribbon (AGNR) is investigated. An incident mode, or subband, in the AGNR is valley-unpolarized. Our attention is on the valley-resolved nature of the injected electron beams and its connection to the incident mode. It is known for a normal injection that an incident mode will split symmetrically into two valley-resolved beams of equal intensity. We show, in contrast, that slanted injections result in asymmetric valley-resolved beam splitting. The most asymmetric beam splitting cases, when one of the valley-resolved beams has basically disappeared, are found and the condition derived. Thismore » is shown not due to trigonal warping because it holds even in the low incident energy regime, as long as collimation allows. These most asymmetric beam splitting cases occur at energies within an energy interval near and include the subband edge of an incident mode. The physical picture is best illustrated by a projection of the slanted AGNR subband states onto that of the 2D graphene sheet. It follows that the disappearing of a valley-resolved beam coincides with the situation that the group velocities of the projected states in the corresponding valley are in backward directions.« less

  8. Improving the efficiency of water splitting in dye-sensitized solar cells by using a biomimetic electron transfer mediator

    PubMed Central

    Zhao, Yixin; Swierk, John R.; Megiatto, Jackson D.; Sherman, Benjamin; Youngblood, W. Justin; Qin, Dongdong; Lentz, Deanna M.; Moore, Ana L.; Moore, Thomas A.; Gust, Devens; Mallouk, Thomas E.

    2012-01-01

    Photoelectrochemical water splitting directly converts solar energy to chemical energy stored in hydrogen, a high energy density fuel. Although water splitting using semiconductor photoelectrodes has been studied for more than 40 years, it has only recently been demonstrated using dye-sensitized electrodes. The quantum yield for water splitting in these dye-based systems has, so far, been very low because the charge recombination reaction is faster than the catalytic four-electron oxidation of water to oxygen. We show here that the quantum yield is more than doubled by incorporating an electron transfer mediator that is mimetic of the tyrosine-histidine mediator in Photosystem II. The mediator molecule is covalently bound to the water oxidation catalyst, a colloidal iridium oxide particle, and is coadsorbed onto a porous titanium dioxide electrode with a Ruthenium polypyridyl sensitizer. As in the natural photosynthetic system, this molecule mediates electron transfer between a relatively slow metal oxide catalyst that oxidizes water on the millisecond timescale and a dye molecule that is oxidized in a fast light-induced electron transfer reaction. The presence of the mediator molecule in the system results in photoelectrochemical water splitting with an internal quantum efficiency of approximately 2.3% using blue light. PMID:22547794

  9. Existing Whole-House Solutions Case Study: Retrofitting a 1960s Split-Level Cold-Climate Home

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Puttagunta, S.

    2015-08-01

    National programs such as Home Performance with ENERGY STAR® and numerous other utility air sealing programs have brought awareness to homeowners of the benefits of energy efficiency retrofits. Yet, these programs tend to focus on the low-hanging fruit: air-sealing the thermal envelope and ductwork where accessible, switch to efficient lighting, and low-flow fixtures. At the other end of the spectrum, deep-energy retrofit programs are also being encouraged by various utilities across the country. While deep energy retrofits typically seek 50% energy savings, they are often quite costly and most applicable to gut-rehab projects. A significant potential for lowering energy usagemore » in existing homes lies between the low hanging fruit and deep energy retrofit approaches - retrofits that save approximately 30% in energy over the existing conditions.« less

  10. 76 FR 50204 - Decision and Order Granting a Waiver to Fujitsu General Limited From the Department of Energy...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-12

    ... Refrigerant Flow (VRF) multi-split commercial heat pump models specified in Fujitsu's petition for waiver. As... to test and rate these AIRSTAGE V-II VRF multi-split commercial heat pumps. DATES: This Decision and...) Standard 1230-2010, ``Performance Rating of VRF Multi-Split Air-Conditioning and Heat Pump Equipment'' to...

  11. Evaluation of Mandibular Anatomy Associated With Bad Splits in Sagittal Split Ramus Osteotomy of Mandible.

    PubMed

    Wang, Tongyue; Han, Jeong Joon; Oh, Hee-Kyun; Park, Hong-Ju; Jung, Seunggon; Park, Yeong-Joon; Kook, Min-Suk

    2016-07-01

    This study aimed to identify risk factors associated with bad splits during sagittal split ramus osteotomy by using three-dimensional computed tomography. This study included 8 bad splits and 47 normal patients without bad splits. Mandibular anatomic parameters related to osteotomy line were measured. These included anteroposterior width of the ramus at level of lingula, distance between external oblique ridge and lingula, distance between sigmoid notch and inferior border of mandible, mandibular angle, distance between inferior outer surface of mandibular canal and inferior border of mandible under distal root of second molar (MCEM), buccolingual thickness of the ramus at level of lingula, and buccolingual thickness of the area just distal to first molar (BTM1) and second molar (BTM2). The incidence of bad splits in 625 sagittal split osteotomies was 1.28%. Compared with normal group, bad split group exhibited significantly thinner BTM2 and shorter sigmoid notch and inferior border of mandible (P <0.05). However, for BTM1 and buccolingual thickness of the ramus at level of lingula, there was no statistical difference between the 2 groups. Mandibular angle, anteroposterior width of the ramus at level of lingula, external oblique ridge and lingula, and MCEM were not significantly different between the groups. This study suggests that patients with shorter ramus and low thickness of the buccolingual alveolar region distal to the second molar had a higher risk of bad splits. These anatomic data may help surgeons to choose the safest surgical techniques and best osteotomy sites.

  12. Multiple Temperature-Sensing Behavior of Green and Red Upconversion Emissions from Stark Sublevels of Er³⁺.

    PubMed

    Cao, Baosheng; Wu, Jinlei; Wang, Xuehan; He, Yangyang; Feng, Zhiqing; Dong, Bin

    2015-12-10

    Upconversion luminescence properties from the emissions of Stark sublevels of Er(3+) were investigated in Er(3+)-Yb(3+)-Mo(6+)-codoped TiO₂ phosphors in this study. According to the energy levels split from Er(3+), green and red emissions from the transitions of four coupled energy levels, ²H11/2(I)/²H11/2(II), ⁴S3/2(I)/⁴S3/2(II), ⁴F9/2(I)/⁴F9/2(II), and ²H11/2(I) + ²H11/2(II)/⁴S3/2(I) + ⁴S3/2(II), were observed under 976 nm laser diode excitation. By utilizing the fluorescence intensity ratio (FIR) technique, temperature-dependent upconversion emissions from these four coupled energy levels were analyzed at length. The optical temperature-sensing behaviors of sensing sensitivity, measurement error, and operating temperature for the four coupled energy levels are discussed, all of which are closely related to the energy gap of the coupled energy levels, FIR value, and luminescence intensity. Experimental results suggest that Er(3+)-Yb(3+)-Mo(6+)-codoped TiO₂ phosphor with four pairs of energy levels coupled by Stark sublevels provides a new and effective route to realize multiple optical temperature-sensing through a wide range of temperatures in an independent system.

  13. Theoretical Study of the Jahn-Teller effect in CH3CN+ (X2E) and CD3CN+ (X2E): multimode spin-vibronic energy level calculations.

    PubMed

    Zhang, Shiyang; Mo, Yuxiang

    2009-10-15

    The spin-vibronic energy levels for CH(3)CN(+)(X(2)E) and CD(3)CN(+)(X(2)E) have been calculated using a diabatic model including multimode vibronic couplings and spin-orbit interaction without adjusting any parameter. The diabatic potential energy surfaces are represented by the Taylor expansions including linear, quadratic and bilinear vibronic coupling terms. The normal coordinates used in the Taylor expansion were expressed by the mass-weighted Cartesian coordinates. The adiabatic potential energy surfaces for CH(3)CN(+) and CD(3)CN(+) were calculated at the level of CASPT2/cc-pvtz, and the spin-orbit coupling constant was calculated at the level of MRCI/CAS/cc-pvtz. The spin-orbit energy splittings for the ground vibrational states of CH(3)CN(+)(X(2)E) and CD(3)CN(+)(X(2)E) are 20 and 16 cm(-1), respectively, which are resulted from the quenching of the spin-orbit coupling strength of 51 cm(-1). The calculated spin-vibronic levels are in good agreement with the experimental data. The calculation results show that the Jahn-Teller effects in CH(3)CN(+)(X(2)E) and CD(3)CN(+)(X(2)E) are essential to understand their spin-vibronic energy structure.

  14. Spectrum and energy levels of kryptonlike ion Nb VI

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reader, J.; Ekberg, J.O.

    1993-05-01

    The spectrum of five-times ionized niobium, Nb, VI, was observed from 238 to 2700 {angstrom} with sliding spark discharges on 10.7-m normal- and grazing-incidence spectrographs. Experimental energies were determined for all levels of the 4s{sup 2}4p{sup 6}, 4s{sup 2}4p{sup 6}, 4s{sup 2}4p{sup 5}4d, 4f, 5s, 5p, 5g, 6s, and 4s4p{sup 6}4d configurations as well as some levels of 4p{sup 5}6g. A total of 291 lines were classified as transitions between 88 observed levels. A previous analysis of this spectrum was found to be totally erroneous. Large hyperfine splittings were found for several levels of the 4p{sup 5}5s and 5p configurations.more » The observed configurations were theoretically interpreted by means of Hartree-Fock calculations and least squares fits of the energy parameters to the observed levels. A revised value of the ionization energy was obtained from the 4p{sup 5}5g and 6g configurations.« less

  15. Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.

    PubMed

    Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H-C

    2016-03-23

    A pair of diiridium bimetallic complexes exhibit a special type of oxidation-reduction reaction that could directly split carbonate into carbon monoxide and molecular oxygen via a low-energy pathway needing no sacrificial reagent. One of the bimetallic complexes, Ir(III)(μ-Cl)2Ir(III), can catch carbonato group from carbonate and reduce it to CO. The second complex, the rare bimetallic complex Ir(IV)(μ-oxo)2Ir(IV), can react with chlorine to release O2 by the oxidation of oxygen ions with synergistic oxidative effect of iridium ions and chlorine atoms. The activation energy needed for the key reaction is quite low (∼20 kJ/mol), which is far less than the dissociation energy of the C═O bond in CO2 (∼750 kJ/mol). These diiridium bimetallic complexes could be applied as a redox switch to split carbonate or combined with well-known processes in the chemical industry to build up a catalytic system to directly split CO2 into CO and O2.

  16. Traveling wave device for combining or splitting symmetric and asymmetric waves

    DOEpatents

    Möbius, Arnold; Ives, Robert Lawrence

    2005-07-19

    A traveling wave device for the combining or splitting of symmetric and asymmetric traveling wave energy includes a feed waveguide for traveling wave energy, the feed waveguide having an input port and a launching port, a reflector for coupling wave energy between the feed waveguide and a final waveguide for the collection and transport of wave energy to or from the reflector. The power combiner has a launching port for symmetrical waves which includes a cylindrical section coaxial to the feed waveguide, and a launching port for asymmetric waves which includes a sawtooth rotated about a central axis.

  17. Improved Fast Centralized Retransmission Scheme for High-Layer Functional Split in 5G Network

    NASA Astrophysics Data System (ADS)

    Xu, Sen; Hou, Meng; Fu, Yu; Bian, Honglian; Gao, Cheng

    2018-01-01

    In order to satisfy the varied 5G critical requirements and the virtualization of the RAN hardware, a two-level architecture for 5G RAN has been studied in 3GPP 5G SI stage. The performance of the PDCP-RLC split option and intra-RLC split option, two mainly concerned options for high layer functional split, exist an ongoing debate. This paper firstly gives an overview of CU-DU split study work in 3GPP. By the comparison of implementation complexity, the standardization impact and system performance, our evaluation result shows the PDCP-RLC split Option outperforms the intra-RLC split option. Aiming to how to reduce the retransmission delay during the intra-CU inter-DU handover, the mainly drawback of PDCP-RLC split option, this paper proposes an improved fast centralized retransmission solution with a low implementation complexity. Finally, system level simulations show that the PDCP-RLC split option with the proposed scheme can significantly improve the UE’s experience.

  18. Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers

    NASA Astrophysics Data System (ADS)

    Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.

    2018-04-01

    In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.

  19. Photosynthetic water splitting by the Mn4Ca2+OX catalyst of photosystem II: its structure, robustness and mechanism.

    PubMed

    Barber, James

    2017-01-01

    The biological energy cycle of our planet is driven by photosynthesis whereby sunlight is absorbed by chlorophyll and other accessory pigments. The excitation energy is then efficiently transferred to a reaction centre where charge separation occurs in a few picoseconds. In the case of photosystem II (PSII), the energy of the charge transfer state is used to split water into oxygen and reducing equivalents. This is accomplished by the relatively low energy content of four photons of visible light. PSII is a large multi-subunit membrane protein complex embedded in the lipid environment of the thylakoid membranes of plants, algae and cyanobacteria. Four high energy electrons, together with four protons (4H+), are used to reduce plastoquinone (PQ), the terminal electron acceptor of PSII, to plastoquinol (PQH2). PQH2 passes its reducing equivalents to an electron transfer chain which feeds into photosystem I (PSI) where they gain additional reducing potential from a second light reaction which is necessary to drive CO2 reduction. The catalytic centre of PSII consists of a cluster of four Mn ions and a Ca2+ linked by oxo bonds. In addition, there are seven amino acid ligands. In this Article, I discuss the structure of this metal cluster, its stability and the probability that an acid-base (nucleophilic-electrophilic) mechanism catalyses the water splitting reaction on the surface of the metal-cluster. Evidence for this mechanism is presented from studies on water splitting catalysts consisting of organo-complexes of ruthenium and manganese and also by comparison with the enzymology of carbon monoxide dehydrogenase (CODH). Finally the relevance of our understanding of PSII is discussed in terms of artificial photosynthesis with emphasis on inorganic water splitting catalysts as oxygen generating photoelectrodes.

  20. Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitions

    DOE PAGES

    Appavoo, Kannatassen; Nie, Wanyi; Blancon, Jean -Christophe; ...

    2017-11-15

    In this paper, connecting the complex electronic excitations of hybrid perovskites to their intricate organic-inorganic lattice structure has critical implications for energy conversion and optoelectronic technologies. Here we detail the multiband, multivalley electronic structure of a halide hybrid perovskite by measuring the absorption transients of a millimeter-scale-grain thin film as it undergoes a thermally controlled reversible tetragonal-to-orthogonal phase transition. Probing nearly single grains of this hybrid perovskite, we observe an unreported energy splitting (degeneracy lifting) of the high-energy 2.6 eV band in the tetragonal phase that further splits as the rotational degrees of freedom of the disordered CH 3NH 3more » + molecules are reduced when the sample is cooled. This energy splitting drastically increases during an extended phase-transition coexistence region that persists from 160 to 120 K, becoming more pronounced in the orthorhombic phase. By tracking the temperature-dependent optical transition energies and using symmetry analysis that describes the evolution of electronic states from the tetragonal phase to the orthorhombic phase, we assign this energy splitting to the nearly degenerate transitions in the tetragonal phase from both the R- and M-point-derived states. Importantly, these assignments explain how momentum conservation effects lead to long hot-carrier lifetimes in the room-temperature tetragonal phase, with faster hot-carrier relaxation when the hybrid perovskite structurally transitions to the orthorhombic phase due to enhanced scattering at the Γ point.« less

  1. Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Appavoo, Kannatassen; Nie, Wanyi; Blancon, Jean -Christophe

    In this paper, connecting the complex electronic excitations of hybrid perovskites to their intricate organic-inorganic lattice structure has critical implications for energy conversion and optoelectronic technologies. Here we detail the multiband, multivalley electronic structure of a halide hybrid perovskite by measuring the absorption transients of a millimeter-scale-grain thin film as it undergoes a thermally controlled reversible tetragonal-to-orthogonal phase transition. Probing nearly single grains of this hybrid perovskite, we observe an unreported energy splitting (degeneracy lifting) of the high-energy 2.6 eV band in the tetragonal phase that further splits as the rotational degrees of freedom of the disordered CH 3NH 3more » + molecules are reduced when the sample is cooled. This energy splitting drastically increases during an extended phase-transition coexistence region that persists from 160 to 120 K, becoming more pronounced in the orthorhombic phase. By tracking the temperature-dependent optical transition energies and using symmetry analysis that describes the evolution of electronic states from the tetragonal phase to the orthorhombic phase, we assign this energy splitting to the nearly degenerate transitions in the tetragonal phase from both the R- and M-point-derived states. Importantly, these assignments explain how momentum conservation effects lead to long hot-carrier lifetimes in the room-temperature tetragonal phase, with faster hot-carrier relaxation when the hybrid perovskite structurally transitions to the orthorhombic phase due to enhanced scattering at the Γ point.« less

  2. Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitions

    NASA Astrophysics Data System (ADS)

    Appavoo, Kannatassen; Nie, Wanyi; Blancon, Jean-Christophe; Even, Jacky; Mohite, Aditya D.; Sfeir, Matthew Y.

    2017-11-01

    Connecting the complex electronic excitations of hybrid perovskites to their intricate organic-inorganic lattice structure has critical implications for energy conversion and optoelectronic technologies. Here we detail the multiband, multivalley electronic structure of a halide hybrid perovskite by measuring the absorption transients of a millimeter-scale-grain thin film as it undergoes a thermally controlled reversible tetragonal-to-orthogonal phase transition. Probing nearly single grains of this hybrid perovskite, we observe an unreported energy splitting (degeneracy lifting) of the high-energy 2.6 eV band in the tetragonal phase that further splits as the rotational degrees of freedom of the disordered C H3N H3 + molecules are reduced when the sample is cooled. This energy splitting drastically increases during an extended phase-transition coexistence region that persists from 160 to 120 K, becoming more pronounced in the orthorhombic phase. By tracking the temperature-dependent optical transition energies and using symmetry analysis that describes the evolution of electronic states from the tetragonal phase to the orthorhombic phase, we assign this energy splitting to the nearly degenerate transitions in the tetragonal phase from both the R - and M -point-derived states. Importantly, these assignments explain how momentum conservation effects lead to long hot-carrier lifetimes in the room-temperature tetragonal phase, with faster hot-carrier relaxation when the hybrid perovskite structurally transitions to the orthorhombic phase due to enhanced scattering at the Γ point.

  3. Native interstitial defects in ZnGeN2

    NASA Astrophysics Data System (ADS)

    Skachkov, Dmitry; Lambrecht, Walter R. L.

    2017-10-01

    A density functional study is presented of the interstitial Zni, Gei, and Ni in ZnGeN2. Corrections to the band gap are included by means of the LDA+U method. The Zn and Ge interstitials are both found to strongly prefer the larger octahedral site compared to the two types of tetrahedral sites. The Zn interstitial is found to be a shallow double donor, but it has higher energy than previously studied antisite defects. It has a resonance in the conduction band that is Zn-s like. The Ge interstitial is an even higher energy of formation defect and also behaves as a shallow double donor, but it also has a deep level in the gap corresponding to a Ge-s orbital character while the Ge-p forms a resonance in the conduction band. The nitrogen interstitial forms a split-interstitial configuration, as also occurs in GaN. Its electronic levels can be related to that of a N2 molecule. The defect levels in the gap correspond to the πg-like lowest unoccupied molecular orbital of the molecule, which here becomes filled with three electrons in the defect's neutral charge state. They are found to prefer a high-spin configuration in the q =+1 state. The corresponding transition levels are obtained and show that this is an amphoteric trap level occurring in +2 , +1 , 0, and -1 charge states. The two possible sites for this split interstitial, on top of Zn or on top of Ge, differ slightly in N2 bond length. While the Ni defects have the lowest formation energy among the interstitials, it is still higher than that of the antisites. Hence they are not expected to occur in sufficient concentration to affect the intrinsic Fermi level position. In particular, they do not contribute to the unintentional n -type background doping.

  4. Artificial photosynthesis: Where are we now? Where can we go?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    House, Ralph L.; Iha, Neyde Yukie Murakami; Coppo, Rodolfo L.

    2015-12-01

    Widespread implementation of renewable energy technologies, while preventing significant increases in greenhouse gas emissions, appears to be the only viable solution to meeting the world's energy demands for a sustainable energy future. The final energy mix will include conservation and energy efficiency, wind, geothermal, biomass, and others, but none more ubiquitous or abundant than the sun. Over several decades of development, the cost of photovoltaic cells has decreased significantly with lifetimes that exceed 25 years and there is promise for widespread implementation in the future. However, the solar input is intermittent and, to be practical at a truly large scale,more » will require an equally large capability for energy storage. One approach involves artificial photosynthesis and the use of the sun to drive solar fuel reactions for water splitting into hydrogen and oxygen or to reduce CO2 to reduced carbon fuels. An early breakthrough in this area came from an initial report by Honda and Fujishima on photoelectrochemical water splitting at TiO2 with UV excitation. Significant progress has been made since in exploiting semiconductor devices in water splitting with impressive gains in spectral coverage and solar efficiencies. An alternate, hybrid approach, which integrates molecular light absorption and catalysis with the band gap properties of oxide semiconductors, the dye-sensitized photoelectrosynthesis cell (DSPEC), has been pioneered by the University of North Carolina Energy Frontier Research Center (UNC EFRC) on Solar Fuels. By utilizing chromophore-catalyst assemblies, core/shell oxide structures, and surface stabilization, the EFRC recently demonstrated a viable DSPEC for solar water splitting.« less

  5. Wide-range ideal 2D Rashba electron gas with large spin splitting in Bi2Se3/MoTe2 heterostructure

    NASA Astrophysics Data System (ADS)

    Wang, Te-Hsien; Jeng, Horng-Tay

    2017-02-01

    An application-expected ideal two-dimensional Rashba electron gas, i.e., nearly all the conduction electrons occupy the Rashba bands, is crucial for semiconductor spintronic applications. We demonstrate that such an ideal two-dimensional Rashba electron gas with a large Rashba splitting can be realized in a topological insulator Bi2Se3 ultrathin film grown on a transition metal dichalcogenides MoTe2 substrate through first-principle calculations. Our results show the Rashba bands exclusively over a very large energy interval of about 0.6 eV around the Fermi level within the MoTe2 semiconducting gap. Such a wide-range ideal two-dimensional Rashba electron gas with a large spin splitting, which is desirable for real devices utilizing the Rashba effect, has never been found before. Due to the strong spin-orbit coupling, the strength of the Rashba splitting is comparable with that of the heavy-metal surfaces such as Au and Bi surfaces, giving rise to a spin precession length as small as 10 nm. The maximum in-plane spin polarization of the inner (outer) Rashba band near the Γ point is about 70% (60%). The room-temperature coherence length is at least several times longer than the spin precession length, providing good coherency through the spin processing devices. The wide energy window for ideal Rashba bands, small spin precession length, as well as long spin coherence length in this two-dimensional topological insulator/transition metal dichalcogenides heterostructure pave the way for realizing an ultrathin nano-scale spintronic device such as the Datta-Das spin transistor at room-temperature.

  6. Cool covered sky-splitting spectrum-splitting FK

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mohedano, Rubén; Chaves, Julio; Falicoff, Waqidi

    2014-09-26

    Placing a plane mirror between the primary lens and the receiver in a Fresnel Köhler (FK) concentrator gives birth to a quite different CPV system where all the high-tech components sit on a common plane, that of the primary lens panels. The idea enables not only a thinner device (a half of the original) but also a low cost 1-step manufacturing process for the optics, automatic alignment of primary and secondary lenses, and cell/wiring protection. The concept is also compatible with two different techniques to increase the module efficiency: spectrum splitting between a 3J and a BPC Silicon cell formore » better usage of Direct Normal Irradiance DNI, and sky splitting to harvest the energy of the diffuse radiation and higher energy production throughout the year. Simple calculations forecast the module would convert 45% of the DNI into electricity.« less

  7. Mechanistic Understanding of the Plasmonic Enhancement for Solar Water Splitting.

    PubMed

    Zhang, Peng; Wang, Tuo; Gong, Jinlong

    2015-09-23

    H2 generation by solar water splitting is one of the most promising solutions to meet the increasing energy demands of the fast developing society. However, the efficiency of solar-water-splitting systems is still too low for practical applications, which requires further enhancement via different strategies such as doping, construction of heterojunctions, morphology control, and optimization of the crystal structure. Recently, integration of plasmonic metals to semiconductor photocatalysts has been proved to be an effective way to improve their photocatalytic activities. Thus, in-depth understanding of the enhancement mechanisms is of great importance for better utilization of the plasmonic effect. This review describes the relevant mechanisms from three aspects, including: i) light absorption and scattering; ii) hot-electron injection and iii) plasmon-induced resonance energy transfer (PIRET). Perspectives are also proposed to trigger further innovative thinking on plasmonic-enhanced solar water splitting. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

    NASA Technical Reports Server (NTRS)

    Grossman, B.; Cinella, P.

    1988-01-01

    A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

  9. A test for correction made to spin systematics for coupled band in doubly-odd nuclei

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kumar, Vinod, E-mail: vinod2.k2@gmail.com

    2015-12-15

    Systematic Spin Assignments were generally made by using the argument that the energy of levels is a function of neutron number. In the present systematics, the excitation energy of the levels incorporated the effect of nuclear deformation and signature splitting. The nuclear deformation changes toward the mid-shell, therefore a smooth variation in the excitation energy of the levels is observed towards the mid-shell, that intended to make systematics as a function of neutron number towards the mid-shell. Another term “signature splitting” that push the energy of levels for odd- and even-spin sequences up and down, caused the different energy variationmore » pattern for odd- and even-spin sequences. The corrections made in the spin systematics were tested for the known spins of various isotopic chain. In addition, the inconsistency in spin assignments made by the spin systematics and other methods of the configuration πh{sub 11/2} ⊗ νh{sub 11/2} band belonging to {sup 112,114,116}Cs, {sup 126}Pr, and {sup 138}Pr, as an example, was resolved by the correctionmade in the present spin systematics.« less

  10. High brightness InP micropillars grown on silicon with Fermi level splitting larger than 1 eV.

    PubMed

    Tran, Thai-Truong D; Sun, Hao; Ng, Kar Wei; Ren, Fan; Li, Kun; Lu, Fanglu; Yablonovitch, Eli; Chang-Hasnain, Constance J

    2014-06-11

    The growth of III-V nanowires on silicon is a promising approach for low-cost, large-scale III-V photovoltaics. However, performances of III-V nanowire solar cells have not yet been as good as their bulk counterparts, as nanostructured light absorbers are fundamentally challenged by enhanced minority carriers surface recombination rates. The resulting nonradiative losses lead to significant reductions in the external spontaneous emission quantum yield, which, in turn, manifest as penalties in the open-circuit voltage. In this work, calibrated photoluminescence measurements are utilized to construct equivalent voltage-current characteristics relating illumination intensities to Fermi level splitting ΔF inside InP microillars. Under 1 sun, we show that splitting can exceed ΔF ∼ 0.90 eV in undoped pillars. This value can be increased to values of ΔF ∼ 0.95 eV by cleaning pillar surfaces in acidic etchants. Pillars with nanotextured surfaces can yield splitting of ΔF ∼ 0.90 eV, even though they exhibit high densities of stacking faults. Finally, by introducing n-dopants, ΔF of 1.07 eV can be achieved due to a wider bandgap energy in n-doped wurzite InP, the higher brightness of doped materials, and the extraordinarily low surface recombination velocity of InP. This is the highest reported value for InP materials grown on a silicon substrate. These results provide further evidence that InP micropillars on silicon could be a promising material for low-cost, large-scale solar cells with high efficiency.

  11. A Splash to Nano-Sized Inorganic Energy-Materials by the Low-Temperature Molecular Precursor Approach.

    PubMed

    Driess, Matthias; Panda, Chakadola; Menezes, Prashanth Wilfried

    2018-05-07

    The low-temperature synthesis of inorganic materials and their interfaces at the atomic and molecular level provides numerous opportunities for the design and improvement of inorganic materials in heterogeneous catalysis for sustainable chemical energy conversion or other energy-saving areas. Using suitable molecular precursors for functional inorganic nanomaterial synthesis allows for facile control over uniform particle size distribution, stoichiometry, and leads to desired chemical and physical properties. This minireview outlines some advantages of the molecular precursor approach in light of selected recent developments of molecule-to-nanomaterials synthesis for renewable energy applications, relevant for the oxygen evolution reaction (OER), hydrogen evolution reaction (HER) and overall water-splitting. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. A new strategy for efficient solar energy conversion: Parallel-processing with surface plasmons

    NASA Technical Reports Server (NTRS)

    Anderson, L. M.

    1982-01-01

    This paper introduces an advanced concept for direct conversion of sunlight to electricity, which aims at high efficiency by tailoring the conversion process to separate energy bands within the broad solar spectrum. The objective is to obtain a high level of spectrum-splitting without sequential losses or unique materials for each frequency band. In this concept, sunlight excites a spectrum of surface plasma waves which are processed in parallel on the same metal film. The surface plasmons transport energy to an array of metal-barrier-semiconductor diodes, where energy is extracted by inelastic tunneling. Diodes are tuned to different frequency bands by selecting the operating voltage and geometry, but all diodes share the same materials.

  13. Landau level splitting in Cd3As2 under high magnetic fields

    NASA Astrophysics Data System (ADS)

    Cao, Junzhi; Liang, Sihang; Zhang, Cheng; Liu, Yanwen; Huang, Junwei; Jin, Zhao; Chen, Zhi-Gang; Wang, Zhijun; Wang, Qisi; Zhao, Jun; Li, Shiyan; Dai, Xi; Zou, Jin; Xia, Zhengcai; Li, Liang; Xiu, Faxian

    2015-07-01

    Three-dimensional topological Dirac semimetals (TDSs) are a new kind of Dirac materials that exhibit linear energy dispersion in the bulk and can be viewed as three-dimensional graphene. It has been proposed that TDSs can be driven to other exotic phases like Weyl semimetals, topological insulators and topological superconductors by breaking certain symmetries. Here we report the first transport experiment on Landau level splitting in TDS Cd3As2 single crystals under high magnetic fields, suggesting the removal of spin degeneracy by breaking time reversal symmetry. The detected Berry phase develops an evident angular dependence and possesses a crossover from non-trivial to trivial state under high magnetic fields, a strong hint for a fierce competition between the orbit-coupled field strength and the field-generated mass term. Our results unveil the important role of symmetry breaking in TDSs and further demonstrate a feasible path to generate a Weyl semimetal phase by breaking time reversal symmetry.

  14. Landau level splitting in Cd3As2 under high magnetic fields.

    PubMed

    Cao, Junzhi; Liang, Sihang; Zhang, Cheng; Liu, Yanwen; Huang, Junwei; Jin, Zhao; Chen, Zhi-Gang; Wang, Zhijun; Wang, Qisi; Zhao, Jun; Li, Shiyan; Dai, Xi; Zou, Jin; Xia, Zhengcai; Li, Liang; Xiu, Faxian

    2015-07-13

    Three-dimensional topological Dirac semimetals (TDSs) are a new kind of Dirac materials that exhibit linear energy dispersion in the bulk and can be viewed as three-dimensional graphene. It has been proposed that TDSs can be driven to other exotic phases like Weyl semimetals, topological insulators and topological superconductors by breaking certain symmetries. Here we report the first transport experiment on Landau level splitting in TDS Cd3As2 single crystals under high magnetic fields, suggesting the removal of spin degeneracy by breaking time reversal symmetry. The detected Berry phase develops an evident angular dependence and possesses a crossover from non-trivial to trivial state under high magnetic fields, a strong hint for a fierce competition between the orbit-coupled field strength and the field-generated mass term. Our results unveil the important role of symmetry breaking in TDSs and further demonstrate a feasible path to generate a Weyl semimetal phase by breaking time reversal symmetry.

  15. Landau level splitting in Cd3As2 under high magnetic fields

    PubMed Central

    Cao, Junzhi; Liang, Sihang; Zhang, Cheng; Liu, Yanwen; Huang, Junwei; Jin, Zhao; Chen, Zhi-Gang; Wang, Zhijun; Wang, Qisi; Zhao, Jun; Li, Shiyan; Dai, Xi; Zou, Jin; Xia, Zhengcai; Li, Liang; Xiu, Faxian

    2015-01-01

    Three-dimensional topological Dirac semimetals (TDSs) are a new kind of Dirac materials that exhibit linear energy dispersion in the bulk and can be viewed as three-dimensional graphene. It has been proposed that TDSs can be driven to other exotic phases like Weyl semimetals, topological insulators and topological superconductors by breaking certain symmetries. Here we report the first transport experiment on Landau level splitting in TDS Cd3As2 single crystals under high magnetic fields, suggesting the removal of spin degeneracy by breaking time reversal symmetry. The detected Berry phase develops an evident angular dependence and possesses a crossover from non-trivial to trivial state under high magnetic fields, a strong hint for a fierce competition between the orbit-coupled field strength and the field-generated mass term. Our results unveil the important role of symmetry breaking in TDSs and further demonstrate a feasible path to generate a Weyl semimetal phase by breaking time reversal symmetry. PMID:26165390

  16. Decoupling Hydrogen and Oxygen Production in Acidic Water Electrolysis Using a Polytriphenylamine-Based Battery Electrode.

    PubMed

    Ma, Yuanyuan; Dong, Xiaoli; Wang, Yonggang; Xia, Yongyao

    2018-03-05

    Hydrogen production through water splitting is considered a promising approach for solar energy harvesting. However, the variable and intermittent nature of solar energy and the co-production of H 2 and O 2 significantly reduce the flexibility of this approach, increasing the costs of its use in practical applications. Herein, using the reversible n-type doping/de-doping reaction of the solid-state polytriphenylamine-based battery electrode, we decouple the H 2 and O 2 production in acid water electrolysis. In this architecture, the H 2 and O 2 production occur at different times, which eliminates the issue of gas mixing and adapts to the variable and intermittent nature of solar energy, facilitating the conversion of solar energy to hydrogen (STH). Furthermore, for the first time, we demonstrate a membrane-free solar water splitting through commercial photovoltaics and the decoupled acid water electrolysis, which potentially paves the way for a new approach for solar water splitting. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Research progress in radiation detectors, pattern recognition programs, and radiation damage determination in DNA

    NASA Technical Reports Server (NTRS)

    Baily, N. A.

    1973-01-01

    The radiological implications of statistical variations in energy deposition by ionizing radiation were investigated in the conduct of the following experiments: (1) study of the production of secondary particles generated by the passage of the primary radiation through bone and muscle; (2) the study of the ratio of nonreparable to reparable damage in DNA as a function of different energy deposition patterns generated by X rays versus heavy fast charged particles; (3) the use of electronic radiography systems for direct fluoroscopic tomography and for the synthesis of multiple planes and; (4) the determination of the characteristics of systems response to split fields having different contrast levels, and of minimum detectable contrast levels between the halves under realistic clinical situations.

  18. Finsler-type modification of the Coulomb law

    NASA Astrophysics Data System (ADS)

    Itin, Yakov; Lämmerzahl, Claus; Perlick, Volker

    2014-12-01

    Finsler geometry is a natural generalization of pseudo-Riemannian geometry. It can be motivated e.g. by a modified version of the Ehlers-Pirani-Schild axiomatic approach to space-time theory. Also, some scenarios of quantum gravity suggest a modified dispersion relation which could be phrased in terms of Finsler geometry. On a Finslerian space-time, the universality of free fall is still satisfied but local Lorentz invariance is violated in a way not covered by standard Lorentz invariance violation schemes. In this paper we consider a Finslerian modification of Maxwell's equations. The corrections to the Coulomb potential and to the hydrogen energy levels are computed. We find that the Finsler metric corrections yield a splitting of the energy levels. Experimental data provide bounds for the Finsler parameters.

  19. Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

    NASA Astrophysics Data System (ADS)

    Lany, Stephan

    2018-02-01

    The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

  20. Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

    DOE PAGES

    Lany, Stephan

    2018-02-21

    The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

  1. Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lany, Stephan

    The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

  2. Flagged uniform particle splitting for variance reduction in proton and carbon ion track-structure simulations

    NASA Astrophysics Data System (ADS)

    Ramos-Méndez, José; Schuemann, Jan; Incerti, Sebastien; Paganetti, Harald; Schulte, Reinhard; Faddegon, Bruce

    2017-08-01

    Flagged uniform particle splitting was implemented with two methods to improve the computational efficiency of Monte Carlo track structure simulations with TOPAS-nBio by enhancing the production of secondary electrons in ionization events. In method 1 the Geant4 kernel was modified. In method 2 Geant4 was not modified. In both methods a unique flag number assigned to each new split electron was inherited by its progeny, permitting reclassification of the split events as if produced by independent histories. Computational efficiency and accuracy were evaluated for simulations of 0.5-20 MeV protons and 1-20 MeV u-1 carbon ions for three endpoints: (1) mean of the ionization cluster size distribution, (2) mean number of DNA single-strand breaks (SSBs) and double-strand breaks (DSBs) classified with DBSCAN, and (3) mean number of SSBs and DSBs classified with a geometry-based algorithm. For endpoint (1), simulation efficiency was 3 times lower when splitting electrons generated by direct ionization events of primary particles than when splitting electrons generated by the first ionization events of secondary electrons. The latter technique was selected for further investigation. The following results are for method 2, with relative efficiencies about 4.5 times lower for method 1. For endpoint (1), relative efficiency at 128 split electrons approached maximum, increasing with energy from 47.2  ±  0.2 to 66.9  ±  0.2 for protons, decreasing with energy from 51.3  ±  0.4 to 41.7  ±  0.2 for carbon. For endpoint (2), relative efficiency increased with energy, from 20.7  ±  0.1 to 50.2  ±  0.3 for protons, 15.6  ±  0.1 to 20.2  ±  0.1 for carbon. For endpoint (3) relative efficiency increased with energy, from 31.0  ±  0.2 to 58.2  ±  0.4 for protons, 23.9  ±  0.1 to 26.2  ±  0.2 for carbon. Simulation results with and without splitting agreed within 1% (2 standard deviations) for endpoints (1) and (2), within 2% (1 standard deviation) for endpoint (3). In conclusion, standard particle splitting variance reduction techniques can be successfully implemented in Monte Carlo track structure codes.

  3. Space-Confined Earth-Abundant Bifunctional Electrocatalyst for High-Efficiency Water Splitting.

    PubMed

    Tang, Yanqun; Fang, Xiaoyu; Zhang, Xin; Fernandes, Gina; Yan, Yong; Yan, Dongpeng; Xiang, Xu; He, Jing

    2017-10-25

    Hydrogen generation from water splitting could be an alternative way to meet increasing energy demands while also balancing the impact of energy being supplied by fossil-based fuels. The efficacy of water splitting strongly depends on the performance of electrocatalysts. Herein, we report a unique space-confined earth-abundant electrocatalyst having the bifunctionality of simultaneous hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), leading to high-efficiency water splitting. Outperforming Pt/C or RuO 2 catalysts, this mesoscopic, space-confined, bifunctional configuration is constructed from a monolithic zeolitic imidazolate framework@layered double hydroxide (ZIF@LDH) precursor on Ni foam. Such a confinement leads to a high dispersion of ultrafine Co 3 O 4 nanoparticles within the N-doped carbon matrix by temperature-dependent calcination of the ZIF@LDH. We demonstrate that the OER has an overpotential of 318 mV at a current density of 10 mA cm -2 , while that of HER is -106 mV @ -10 mA cm -2 . The voltage applied to a two-electrode cell for overall water splitting is 1.59 V to achieve a stable current density of 10 mA cm -2 while using the monolithic catalyst as both the anode and the cathode. It is anticipated that our space-confined method, which focuses on earth-abundant elements with structural integrity, may provide a novel and economically sound strategy for practical energy conversion applications.

  4. Mimicking Natural Photosynthesis: Solar to Renewable H2 Fuel Synthesis by Z-Scheme Water Splitting Systems

    PubMed Central

    2018-01-01

    Visible light-driven water splitting using cheap and robust photocatalysts is one of the most exciting ways to produce clean and renewable energy for future generations. Cutting edge research within the field focuses on so-called “Z-scheme” systems, which are inspired by the photosystem II–photosystem I (PSII/PSI) coupling from natural photosynthesis. A Z-scheme system comprises two photocatalysts and generates two sets of charge carriers, splitting water into its constituent parts, hydrogen and oxygen, at separate locations. This is not only more efficient than using a single photocatalyst, but practically it could also be safer. Researchers within the field are constantly aiming to bring systems toward industrial level efficiencies by maximizing light absorption of the materials, engineering more stable redox couples, and also searching for new hydrogen and oxygen evolution cocatalysts. This review provides an in-depth survey of relevant Z-schemes from past to present, with particular focus on mechanistic breakthroughs, and highlights current state of the art systems which are at the forefront of the field. PMID:29676566

  5. Mimicking Natural Photosynthesis: Solar to Renewable H2 Fuel Synthesis by Z-Scheme Water Splitting Systems.

    PubMed

    Wang, Yiou; Suzuki, Hajime; Xie, Jijia; Tomita, Osamu; Martin, David James; Higashi, Masanobu; Kong, Dan; Abe, Ryu; Tang, Junwang

    2018-05-23

    Visible light-driven water splitting using cheap and robust photocatalysts is one of the most exciting ways to produce clean and renewable energy for future generations. Cutting edge research within the field focuses on so-called "Z-scheme" systems, which are inspired by the photosystem II-photosystem I (PSII/PSI) coupling from natural photosynthesis. A Z-scheme system comprises two photocatalysts and generates two sets of charge carriers, splitting water into its constituent parts, hydrogen and oxygen, at separate locations. This is not only more efficient than using a single photocatalyst, but practically it could also be safer. Researchers within the field are constantly aiming to bring systems toward industrial level efficiencies by maximizing light absorption of the materials, engineering more stable redox couples, and also searching for new hydrogen and oxygen evolution cocatalysts. This review provides an in-depth survey of relevant Z-schemes from past to present, with particular focus on mechanistic breakthroughs, and highlights current state of the art systems which are at the forefront of the field.

  6. Giant plasmonic mode splitting in THz metamaterials mediated by coupling with Lorentz phonon mode

    NASA Astrophysics Data System (ADS)

    Yu, Leilei; Huang, Yuanyuan; Liu, Changji; Hu, Fangrong; Jin, Yanping; Yan, Yi; Xu, Xinlong

    2018-04-01

    Giant plasmonic mode splitting has been observed in THz metamaterials due to the mediation by the Lorentz phonon dielectric material. This splitting mode is confirmed by the surface current distribution, indicating that plasmonic modes behave like dipole resonances, while the phonon mode behaves like multipole resonance due to coupling. The splitting of the plasmonic modes demonstrates an anti-crossing behavior with the change in Lorentz central frequency, which suggests that there is energy redistribution between plasmon and phonon modes. Similar to the Stark effect, the splitting frequency difference increases with the increasing direct current dielectric function. We also propose an interaction Hamiltonian to understand the physical mechanism of the plasmonic splitting. Furthermore, the splitting is convincible for small Lorentz dielectrics such as sugar and amino acid in the THz region, which could be used for biomolecular sensing applications.

  7. Temperature dependent behavior of localized and delocalized electrons in nitrogen-doped 6H SiC crystals as studied by electron spin resonance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Savchenko, D., E-mail: dariyasavchenko@gmail.com; National Technical University of Ukraine “Kyiv Polytechnic Institute”, Kyiv 03056; Kalabukhova, E.

    2016-01-28

    We have studied the temperature behavior of the electron spin resonance (ESR) spectra of nitrogen (N) donors in n-type 6H SiC crystals grown by Lely and sublimation sandwich methods (SSM) with donor concentration of 10{sup 17 }cm{sup −3} at T = 60–150 K. A broad signal in the ESR spectrum was observed at T ≥ 80 K with Lorentzian lineshape and g{sub ||} = 2.0043(3), g{sub ⊥} = 2.0030(3), which was previously assigned in the literature to the N donors in the 1s(E) excited state. Based on the analysis of the ESR lineshape, linewidth and g-tensor we attribute this signal to the conduction electrons (CE). The emergence of the CE ESRmore » signal at T > 80 K was explained by the ionization of electrons from the 1s(A{sub 1}) ground and 1s(E) excited states of N donors to the conduction band while the observed reduction of the hyperfine (hf) splitting for the N{sub k1,k2} donors with the temperature increase is attributed to the motional narrowing effect of the hf splitting. The temperature dependence of CE ESR linewidth is described by an exponential law (Orbach process) with the activation energy corresponding to the energy separation between 1s(A{sub 1}) and 1s(E) energy levels for N residing at quasi-cubic sites (N{sub k1,k2}). The theoretical analysis of the temperature dependence of microwave conductivity measured by the contact-free method shows that due to the different position of the Fermi level in two samples the ionization of free electrons occurs from the energy levels of N{sub k1,k2} donors in Lely grown samples and from the energy level of N{sub h} residing at hexagonal position in 6H SiC grown by SSM.« less

  8. Anisotropic in-plane spin splitting in an asymmetric (001) GaAs/AlGaAs quantum well

    PubMed Central

    2011-01-01

    The in-plane spin splitting of conduction-band electron has been investigated in an asymmetric (001) GaAs/AlxGa1-xAs quantum well by time-resolved Kerr rotation technique under a transverse magnetic field. The distinctive anisotropy of the spin splitting was observed while the temperature is below approximately 200 K. This anisotropy emerges from the combined effect of Dresselhaus spin-orbit coupling plus asymmetric potential gradients. We also exploit the temperature dependence of spin-splitting energy. Both the anisotropy of spin splitting and the in-plane effective g-factor decrease with increasing temperature. PACS: 78.47.jm, 71.70.Ej, 75.75.+a, 72.25.Fe, PMID:21888636

  9. Resonant Tunneling Spin Pump

    NASA Technical Reports Server (NTRS)

    Ting, David Z.

    2007-01-01

    The resonant tunneling spin pump is a proposed semiconductor device that would generate spin-polarized electron currents. The resonant tunneling spin pump would be a purely electrical device in the sense that it would not contain any magnetic material and would not rely on an applied magnetic field. Also, unlike prior sources of spin-polarized electron currents, the proposed device would not depend on a source of circularly polarized light. The proposed semiconductor electron-spin filters would exploit the Rashba effect, which can induce energy splitting in what would otherwise be degenerate quantum states, caused by a spin-orbit interaction in conjunction with a structural-inversion asymmetry in the presence of interfacial electric fields in a semiconductor heterostructure. The magnitude of the energy split is proportional to the electron wave number. Theoretical studies have suggested the possibility of devices in which electron energy states would be split by the Rashba effect and spin-polarized currents would be extracted by resonant quantum-mechanical tunneling.

  10. A search for muon neutrino to electron neutrino oscillation mediated by sterile neutrinos in MINOS+

    NASA Astrophysics Data System (ADS)

    Germani, Stefano; Schreckenberger, Adam P.

    2017-09-01

    The MINOS experiment made precision measurements of the neutrino oscillation parameters that are governed by the atmospheric mass-squared splitting. These measurements were made with data that were collected while the NuMI muon neutrino beam operated in a low energy mode that peaks around 3 GeV. Today the NuMI beam is running with a higher energy mode that produces a neutrino energy spectrum that peaks around 7 GeV, allowing the MINOS+ experiment to probe neutrino oscillation phenomena that could potentially be governed by a fourth mass-squared splitting. If observed, the presence of a fourth mass-squared splitting would be compelling evidence for a sterile neutrino state. In this analysis, we will present the results of a search for νµ → νe oscillation mediated by sterile neutrinos in MINOS+. The results will be contrasted against the measurements made by the LSND experiment.

  11. Water splitting-biosynthetic system with CO₂ reduction efficiencies exceeding photosynthesis.

    PubMed

    Liu, Chong; Colón, Brendan C; Ziesack, Marika; Silver, Pamela A; Nocera, Daniel G

    2016-06-03

    Artificial photosynthetic systems can store solar energy and chemically reduce CO2 We developed a hybrid water splitting-biosynthetic system based on a biocompatible Earth-abundant inorganic catalyst system to split water into molecular hydrogen and oxygen (H2 and O2) at low driving voltages. When grown in contact with these catalysts, Ralstonia eutropha consumed the produced H2 to synthesize biomass and fuels or chemical products from low CO2 concentration in the presence of O2 This scalable system has a CO2 reduction energy efficiency of ~50% when producing bacterial biomass and liquid fusel alcohols, scrubbing 180 grams of CO2 per kilowatt-hour of electricity. Coupling this hybrid device to existing photovoltaic systems would yield a CO2 reduction energy efficiency of ~10%, exceeding that of natural photosynthetic systems. Copyright © 2016, American Association for the Advancement of Science.

  12. A novel theoretical probe of the SrTiO3 surface under water-splitting conditions

    NASA Astrophysics Data System (ADS)

    Letchworth-Weaver, Kendra; Gunceler, Deniz; Arias, Tomás; Plaza, Manuel; Huang, Xin; Brock, Joel; Rodriguez-López, Joaquin; Abruña, Hector

    2014-03-01

    Understanding the reaction mechanisms required to generate hydrogen fuel by photoelectrolysis of water is essential to energy conversion research. These reaction pathways are strongly influenced by the geometry and electronic structure of the electrode surface under water-splitting conditions. Electrochemical microscopy has demonstrated that biasing a SrTiO3 (001) surface can lead to an increase in water-splitting activity. In operando X-ray reflectivity measurements at the Cornell High Energy Synchrotron Source (CHESS) correlate this increase in activity to a significant reorganization in the surface structure but are unable to determine the exact nature of this change. Joint Density-Functional Theory (JDFT), a rigorous yet computationally efficient alternative to molecular dynamics, provides a quantum-mechanical description of an electrode surface in contact with an aqueous environment, and a microscopically detailed description of the interfacial liquid structure. Our JDFT calculations determine the structure of the activated SrTiO3 surface and explore why it is correlated with higher activity for water splitting. With no empirical parameters whatsoever, we predict the X-ray crystal truncation rods for SrTiO3, finding excellent agreement with experiment. Funded by the Energy Materials Center at Cornell (EMC2).

  13. High-spin level structure and Ground-state phase transition in the odd-mass 103-109Rh isotopes in the framework of exactly solvable sdg interacting boson-fermion model

    NASA Astrophysics Data System (ADS)

    Ghapanvari, M.; Ghorashi, A. H.; Ranjbar, Z.; Jafarizadeh, M. A.

    2018-03-01

    In this article, the negative-parity states in the odd-mass 103 - 109Rh isotopes in terms of the sd and sdg interacting-boson fermion models were studied. The transitional interacting boson-fermion model Hamiltonians in sd and sdg-IBFM versions based on affine SU (1 , 1) Lie Algebra were employed to describe the evolution from the spherical to deformed gamma unstable shapes along with the chain of Rh isotopes. In this method, sdg-IBFM Hamiltonian, which is a three level pairing Hamiltonian was determined easily via the exactly solvable method. Some observables of the shape phase transitions such as energy levels, the two neutron separation energies, signature splitting of the γ-vibrational band, the α-decay and double β--decay energies were calculated and examined for these isotopes. The present calculation correctly reproduces the spherical to gamma-soft phase transition in the Rh isotopes. Some comparisons were made with sd-IBFM.

  14. SplitRacer - a new Semi-Automatic Tool to Quantify And Interpret Teleseismic Shear-Wave Splitting

    NASA Astrophysics Data System (ADS)

    Reiss, M. C.; Rumpker, G.

    2017-12-01

    We have developed a semi-automatic, MATLAB-based GUI to combine standard seismological tasks such as the analysis and interpretation of teleseismic shear-wave splitting. Shear-wave splitting analysis is widely used to infer seismic anisotropy, which can be interpreted in terms of lattice-preferred orientation of mantle minerals, shape-preferred orientation caused by fluid-filled cracks or alternating layers. Seismic anisotropy provides a unique link between directly observable surface structures and the more elusive dynamic processes in the mantle below. Thus, resolving the seismic anisotropy of the lithosphere/asthenosphere is of particular importance for geodynamic modeling and interpretations. The increasing number of seismic stations from temporary experiments and permanent installations creates a new basis for comprehensive studies of seismic anisotropy world-wide. However, the increasingly large data sets pose new challenges for the rapid and reliably analysis of teleseismic waveforms and for the interpretation of the measurements. Well-established routines and programs are available but are often impractical for analyzing large data sets from hundreds of stations. Additionally, shear wave splitting results are seldom evaluated using the same well-defined quality criteria which may complicate comparison with results from different studies. SplitRacer has been designed to overcome these challenges by incorporation of the following processing steps: i) downloading of waveform data from multiple stations in mseed-format using FDSNWS tools; ii) automated initial screening and categorizing of XKS-waveforms using a pre-set SNR-threshold; iii) particle-motion analysis of selected phases at longer periods to detect and correct for sensor misalignment; iv) splitting analysis of selected phases based on transverse-energy minimization for multiple, randomly-selected, relevant time windows; v) one and two-layer joint-splitting analysis for all phases at one station by simultaneously minimizing their transverse energy - this includes the analysis of null measurements. vi) comparison of results with theoretical splitting parameters determined for one, two, or continuously-varying anisotropic layer(s). Examples for the application of SplitRacer will be presented.

  15. Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

    NASA Astrophysics Data System (ADS)

    Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

    2014-04-01

    A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

  16. Energy spectrum and electrical conductivity of graphene with a nitrogen impurity

    NASA Astrophysics Data System (ADS)

    Repetskii, S. P.; Vyshivanaya, I. G.; Skotnikov, V. A.; Yatsenyuk, A. A.

    2015-04-01

    The electronic structure of graphene with a nitrogen impurity has been studied based on the model of tight binding using exchange-correlation potentials in the density-functional theory. Wave functions of 2 s and 2 p states of neutral noninteracting carbon atoms have been chosen as the basis. When studying the matrix elements of the Hamiltonian, the first three coordination shells have been taken into account. It has been established that the hybridization of electron-energy bands leads to the splitting of the electron energy spectrum near the Fermi level. Due to the overlap of the energy bands, the arising gap behaves as a quasi-gap, in which the density of the electron levels is much lower than in the rest of the spectrum. It has been established that the conductivity of graphene decreases with increasing nitrogen concentration. Since the increase in the nitrogen concentration leads to an increase in the density of states at the Fermi level, the decrease in the conductivity is due to a sharper decrease in the time of relaxation of the electron sates.

  17. Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures

    NASA Astrophysics Data System (ADS)

    Paz, Alejandro Pérez; Lebedeva, Irina V.; Tokatly, Ilya V.; Rubio, Angel

    2014-12-01

    One of the most accepted models that describe the anomalous thermal behavior of amorphous materials at temperatures below 1 K relies on the quantum mechanical tunneling of atoms between two nearly equivalent potential energy wells forming a two-level system (TLS). Indirect evidence for TLSs is widely available. However, the atomistic structure of these TLSs remains an unsolved topic in the physics of amorphous materials. Here, using classical molecular dynamics, we found several hitherto unknown bistable structural motifs that may be key to understanding the anomalous thermal properties of amorphous alumina at low temperatures. We show through free energy profiles that the complex potential energy surface can be reduced to canonical TLSs. The tunnel splitting predicted from instanton theory, the number density, dipole moment, and coupling to external strain of the discovered motifs are consistent with experiments.

  18. Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

    NASA Technical Reports Server (NTRS)

    Grossman, B.; Cinnella, P.

    1990-01-01

    The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

  19. Microcracking, microcrack-induced delamination, and longitudinal splitting of advanced composite structures

    NASA Technical Reports Server (NTRS)

    Nairn, John A.

    1992-01-01

    A combined analytical and experimental study was conducted to analyze microcracking, microcrack-induced delamination, and longitudinal splitting in polymer matrix composites. Strain energy release rates, calculated by a variational analysis, were used in a failure criterion to predict microcracking. Predictions and test results were compared for static, fatigue, and cyclic thermal loading. The longitudinal splitting analysis accounted for the effects of fiber bridging. Test data are analyzed and compared for longitudinal splitting and delamination under mixed-mode loading. This study emphasizes the importance of using fracture mechanics analyses to understand the complex failure processes that govern composite strength and life.

  20. Quantum-splitting oxide-based phosphors, method of producing, and rules for designing the same

    DOEpatents

    Setlur, Anant Achyut; Comanzo, Holly Ann; Srivastava, Alok Mani

    2003-09-16

    Strontium and strontium calcium aluminates and lanthanum and lanthanum magnesium borates activated with Pr.sup.3+ and Mn.sup.2+ exhibit characteristics of quantum-splitting phosphors. Improved quantum efficiency may be obtained by further doping with Gd.sup.3+. Refined rules for designing quantum-splitting phosphors include the requirement of incorporation of Gd.sup.3+ and Mn.sup.2+ in the host lattice for facilitation of energy migration.

  1. Spectral splitting for thermal management in photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Apostoleris, Harry; Chiou, Yu-Cheng; Chiesa, Matteo; Almansouri, Ibraheem

    2017-09-01

    Spectral splitting is widely employed as a way to divide light between different solar cells or processes to optimize energy conversion. Well-understood but less explored is the use of spectrum splitting or filtering to combat solar cell heating. This has impacts both on cell performance and on the surrounding environment. In this manuscript we explore the design of spectral filtering systems that can improve the thermal and power-conversion performance of commercial PV modules.

  2. Sulfuric acid-sulfur heat storage cycle

    DOEpatents

    Norman, John H.

    1983-12-20

    A method of storing heat is provided utilizing a chemical cycle which interconverts sulfuric acid and sulfur. The method can be used to levelize the energy obtained from intermittent heat sources, such as solar collectors. Dilute sulfuric acid is concentrated by evaporation of water, and the concentrated sulfuric acid is boiled and decomposed using intense heat from the heat source, forming sulfur dioxide and oxygen. The sulfur dioxide is reacted with water in a disproportionation reaction yielding dilute sulfuric acid, which is recycled, and elemental sulfur. The sulfur has substantial potential chemical energy and represents the storage of a significant portion of the energy obtained from the heat source. The sulfur is burned whenever required to release the stored energy. A particularly advantageous use of the heat storage method is in conjunction with a solar-powered facility which uses the Bunsen reaction in a water-splitting process. The energy storage method is used to levelize the availability of solar energy while some of the sulfur dioxide produced in the heat storage reactions is converted to sulfuric acid in the Bunsen reaction.

  3. Quantum chemical characterization of the X((1)A'), a((3)A'') and A((1)A'') states of CHBr and CHI and computed heats of formation for CHI and CI.

    PubMed

    Bacskay, George B

    2010-08-26

    The relative energies of the X, a, and A states of CHBr and CHI and their atomization and dissociation energies in the complete basis limit were determined by extrapolating (R/U)CCSD(T) and Davidson corrected MRCI energies calculated with the aug-cc-pVxZ (x = T,Q,5) basis sets, which were corrected for core-valence correlation, spin-orbit coupling, and zero point energies. The all-electron calculations on the bromine containing molecules were explicitly corrected for scalar relativity, while in the iodo systems they are implicit in the ECP28MDF pseudopotential of iodine. The geometries and vibrational frequencies were calculated at the CASPT2/cc-pVTZ level of theory. The computed singlet-triplet splittings (5.7 and 3.7 kcal mol(-1) for CHBr and CHI respectively) are in close agreement with the recent experimental values, while the predicted A <-- X excitation energies are within approximately 1 kcal mol(-1) of experiment. The barriers to linearity and dissociation on the A surface were also characterized. For CHI and CI, the predicted heats of formation at 298 K are 134.5 +/- 1.0 and 103.9 +/- 1.0 kcal mol(-1), respectively. The spin-orbit splitting in iodomethylidyne (CI) is computed to be 746 cm(-1), although that value may be an underestimate by approximately 20%.

  4. Organic photosensitizers with a heteroleptic dual donor for dye-sensitized solar cells.

    PubMed

    Kim, Joo Young; Kim, Young Sik

    2012-04-01

    Using DFT and TDDFT calculations, we investigated the substitution effect in the electronic and optical properties of dye sensitizers with a dual donor composed of triphenylamine and/or indoline moieties. Due to replacement with the dual donor moieties, the HOMO levels were split into HOMO and HOMO - 1 levels, and the bandgaps between the HOMO and LUMO levels decreased, leading to the creation of bathochromically extended absorption spectra. Nearly degenerated splitting of the HOMO levels resulted from the similarity of the electronic structure between the HOMO and the HOMO - 1 levels, delocalized over both dual-donor moieties, when replacing the dual donors. It was shown that the additional electron-donating group creates an additional absorption band and causes a cascading two-electron process aiding the charge separation process. Owing to a more panchromatic attribute, easier energy transfer and feasible retardation of the recombination between the injected electrons and the electrolyte, it is expected that dyeTI will show better performance than the other dyes (dyeT dyeTT and dyeIT) as denoted here in terms of the conversion efficiency of dye-sensitized solar cells (DSSCs). This work presents the probable benefits of dye sensitizers with dual-donor moieties and provides insight into the development of more efficient dye sensitizers for DSSCs through modification of the Frontier molecular orbitals.

  5. Split Bregman's optimization method for image construction in compressive sensing

    NASA Astrophysics Data System (ADS)

    Skinner, D.; Foo, S.; Meyer-Bäse, A.

    2014-05-01

    The theory of compressive sampling (CS) was reintroduced by Candes, Romberg and Tao, and D. Donoho in 2006. Using a priori knowledge that a signal is sparse, it has been mathematically proven that CS can defY Nyquist sampling theorem. Theoretically, reconstruction of a CS image relies on the minimization and optimization techniques to solve this complex almost NP-complete problem. There are many paths to consider when compressing and reconstructing an image but these methods have remained untested and unclear on natural images, such as underwater sonar images. The goal of this research is to perfectly reconstruct the original sonar image from a sparse signal while maintaining pertinent information, such as mine-like object, in Side-scan sonar (SSS) images. Goldstein and Osher have shown how to use an iterative method to reconstruct the original image through a method called Split Bregman's iteration. This method "decouples" the energies using portions of the energy from both the !1 and !2 norm. Once the energies are split, Bregman iteration is used to solve the unconstrained optimization problem by recursively solving the problems simultaneously. The faster these two steps or energies can be solved then the faster the overall method becomes. While the majority of CS research is still focused on the medical field, this paper will demonstrate the effectiveness of the Split Bregman's methods on sonar images.

  6. Tuning exciton energy and fine-structure splitting in single InAs quantum dots by applying uniaxial stress

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Su, Dan; Dou, Xiuming; Wu, Xuefei

    2016-04-15

    Exciton and biexciton emission energies as well as excitonic fine-structure splitting (FSS) in single InAs/GaAs quantum dots (QDs) have been continuously tuned in situ in an optical cryostat using a developed uniaxial stress device. With increasing tensile stress, the red shift of excitonic emission is up to 5 nm; FSS decreases firstly and then increases monotonically, reaching a minimum value of approximately 10 μeV; biexciton binding energy decreases from 460 to 106 μeV. This technique provides a simple and convenient means to tune QD structural symmetry, exciton energy and biexciton binding energy and can be used for generating entangled andmore » indistinguishable photons.« less

  7. Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

    NASA Astrophysics Data System (ADS)

    Khazaei, Somayeh; Sebastiani, Daniel

    2017-11-01

    We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

  8. Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

    PubMed

    Khazaei, Somayeh; Sebastiani, Daniel

    2017-11-21

    We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

  9. Hood River Passive House, Hood River, Oregon (Fact Sheet)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None, None

    2014-02-01

    The Hood River Passive Project was developed by Root Design Build of Hood River Oregon using the Passive House Planning Package (PHPP) to meet all of the requirements for certification under the European Passive House standards. The Passive House design approach has been gaining momentum among residential designers for custom homes and BEopt modeling indicates that these designs may actually exceed the goal of the U.S. Department of Energy's (DOE) Building America program to "reduce home energy use by 30%-50%" (compared to 2009 energy codes for new homes). This report documents the short term test results of the Shift Housemore » and compares the results of PHPP and BEopt modeling of the project. The design includes high R-Value assemblies, extremely tight construction, high performance doors and windows, solar thermal DHW, heat recovery ventilation, moveable external shutters and a high performance ductless mini-split heat pump. Cost analysis indicates that many of the measures implemented in this project did not meet the BA standard for cost neutrality. The ductless mini-split heat pump, lighting and advanced air leakage control were the most cost effective measures. The future challenge will be to value engineer the performance levels indicated here in modeling using production based practices at a significantly lower cost.« less

  10. First-principles study of electronic structure and Fermi surface in semimetallic YAs

    DOE PAGES

    Swatek, Przemys?aw Wojciech

    2018-03-23

    In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band ordermore » and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.« less

  11. New Whole-House Solutions Case Study: Hood River Passive House

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    2014-02-01

    The Hood River Passive Project was developed by Root Design Build of Hood River Oregon using the Passive House Planning Package (PHPP) to meet all of the requirements for certification under the European Passive House standards. The Passive House design approach has been gaining momentum among residential designers for custom homes and BEopt modeling indicates that these designs may actually exceed the goal of the U.S. Department of Energy's (DOE) Building America program to "reduce home energy use by 30%-50%" (compared to 2009 energy codes for new homes). This report documents the short term test results of the Shift Housemore » and compares the results of PHPP and BEopt modeling of the project. The design includes high R-Value assemblies, extremely tight construction, high performance doors and windows, solar thermal DHW, heat recovery ventilation, moveable external shutters and a high performance ductless mini-split heat pump. Cost analysis indicates that many of the measures implemented in this project did not meet the BA standard for cost neutrality. The ductless mini-split heat pump, lighting and advanced air leakage control were the most cost effective measures. The future challenge will be to value engineer the performance levels indicated here in modeling using production based practices at a significantly lower cost.« less

  12. First-principles study of electronic structure and Fermi surface in semimetallic YAs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Swatek, Przemys?aw Wojciech

    In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band ordermore » and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.« less

  13. Split and sealing of dislocated pipes at the front of a growing crystal

    NASA Astrophysics Data System (ADS)

    Gutkin, M. Yu.; Sheinerman, A. G.

    2004-07-01

    A model is suggested for the split of dislocated pipes at the front a growing crystal. Within the model, the pipe split occurs through the generation of a dislocation semi-loop at the pipe and crystal surfaces and its subsequent expansion into the crystal interior. The strain energy of such a dislocation semi-loop as well as the stress field of a dislocated pipe perpendicular to a flat crystal surface are calculated. The parameter regions are determined at which the expansion of the dislocation semi-loop is energetically favorable and, thus, the pipe split becomes irreversible. A mechanism is proposed for the formation of a stable semi-loop resulting in the split and possible subsequent overgrowth of the dislocated pipe.

  14. The density matrix method in photonic bandgap and antiferromagnetic materials

    NASA Astrophysics Data System (ADS)

    Barrie, Scott B.

    In this thesis, a theory for dispersive polaritonic bandgap (DPBG) and photonic bandgap (PBG) materials is developed. An ensemble of multi-level nanoparticles, such as non-interacting two-, three- and four-level atoms doped in DPBG and PBG materials is considered. The optical properties of these materials such as spontaneous emission, line broadening, fluorescence and narrowing of the natural linewidth have been studied using the density matrix method. Numerical simulations for these properties have been performed for the DPBG materials SiC and InAs, and for a PBG material with a 20 percent gap-to-midgap ratio. When a three-level nanoparticle is doped into a DPBG material, it is predicted that one or two bound states exist when one or both resonance energies, respectively, lie in the bandgap. It is shown when a resonance energy lies below the bandgap, its spectral density peak weakens and broadens as the resonance energy increases to the lower band edge. For the first time it is predicted that when a nanoparticle's resonance energy lies above the bandgap, its spectral density peak weakens and broadens as the resonance energy increases. A relation is also found between spectral structure and gap-to-midgap ratios. The dressed states of a two-level atom doped into a DPBG material under the influence of an intense monochromatic laser field are examined. The splitting of the dressed state energies is calculated, and it is predicted that the splitting depends on the polariton density of states and the Rabi frequency of laser field. The fluoresence is also examined, and for the first time two distinct control processes are found for the transition from one peak to three peaks. It was previously known that the Rabi frequency controlled the Stark effect, but this thesis predicts that the local of the peak with respect to the optical bandgap can cause a transition from one to three peaks even with a weak Rabi frequency. The transient linewidth narrowing of PBG crystal emission peaks doped with four-level atoms is studied. It is found that linewidth narrowing is only dependent upon time delay when the resonance energy is not near a band edge. This is a new discovery. The density matrix method is employed to find the critical magnetic field at which spin flopping occurs in antiferromagnetic high temperature superconductors. It is found that this magnetic field depends upon the temperature, the anisotropy parameter and the doping concentration. Results are calculated for 1-2-3 HTSCs. Keywords. Quantum Optics, Density Matrix, Photonic Bandgap Materials, Dispersive Polaritonic Bandgap Materials, Antiferromagnets.

  15. Growth of p-type hematite by atomic layer deposition and its utilization for improved solar water splitting.

    PubMed

    Lin, Yongjing; Xu, Yang; Mayer, Matthew T; Simpson, Zachary I; McMahon, Gregory; Zhou, Sa; Wang, Dunwei

    2012-03-28

    Mg-doped hematite (α-Fe(2)O(3)) was synthesized by atomic layer deposition (ALD). The resulting material was identified as p-type with a hole concentration of ca. 1.7 × 10(15) cm(-3). When grown on n-type hematite, the p-type layer was found to create a built-in field that could be used to assist photoelectrochemical water splitting reactions. A nominal 200 mV turn-on voltage shift toward the cathodic direction was measured, which is comparable to what has been measured using water oxidation catalysts. This result suggests that it is possible to achieve desired energetics for solar water splitting directly on metal oxides through advanced material preparations. Similar approaches may be used to mitigate problems caused by energy mismatch between water redox potentials and the band edges of hematite and many other low-cost metal oxides, enabling practical solar water splitting as a means for solar energy storage.

  16. Vibrational quenching of excitonic splittings in H-bonded molecular dimers: The electronic Davydov splittings cannot match experiment

    NASA Astrophysics Data System (ADS)

    Ottiger, Philipp; Leutwyler, Samuel; Köppel, Horst

    2012-05-01

    The S1/S2 state exciton splittings of symmetric doubly hydrogen-bonded gas-phase dimers provide spectroscopic benchmarks for the excited-state electronic couplings between UV chromophores. These have important implications for electronic energy transfer in multichromophoric systems ranging from photosynthetic light-harvesting antennae to photosynthetic reaction centers, conjugated polymers, molecular crystals, and nucleic acids. We provide laser spectroscopic data on the S1/S2 excitonic splitting Δexp of the doubly H-bonded o-cyanophenol (oCP) dimer and compare to the splittings of the dimers of (2-aminopyridine)2, [(2AP)2], (2-pyridone)2, [(2PY)2], (benzoic acid)2, [(BZA)2], and (benzonitrile)2, [(BN)2]. The experimental S1/S2 excitonic splittings are Δexp = 16.4 cm-1 for (oCP)2, 11.5 cm-1 for (2AP)2, 43.5 cm-1 for (2PY)2, and <1 cm-1 for (BZA)2. In contrast, the vertical S1/S2 energy gaps Δcalc calculated by the approximate second-order coupled cluster (CC2) method for the same dimers are 10-40 times larger than the Δexp values. The qualitative failure of this and other ab initio methods to reproduce the exciton splitting Δexp arises from the Born-Oppenheimer (BO) approximation, which implicitly assumes the strong-coupling case and cannot be employed to evaluate excitonic splittings of systems that are in the weak-coupling limit. Given typical H-bond distances and oscillator strengths, the majority of H-bonded dimers lie in the weak-coupling limit. In this case, the monomer electronic-vibrational coupling upon electronic excitation must be accounted for; the excitonic splittings arise between the vibronic (and not the electronic) transitions. The discrepancy between the BO-based splittings Δcalc and the much smaller experimental Δexp values is resolved by taking into account the quenching of the BO splitting by the intramolecular vibronic coupling in the monomer S1 ← S0 excitation. The vibrational quenching factors Γ for the five dimers (oCP)2, (2AP)2, (2AP)2, (BN)2, and (BZA)2 lie in the range Γ = 0.03-0.2. The quenched excitonic splittings Γ.Δcalc are found to be in very good agreement with the observed splittings Δexp. The vibrational quenching approach predicts reliable Δexp values for the investigated dimers, confirms the importance of vibrational quenching of the electronic Davydov splittings, and provides a sound basis for predicting realistic exciton splittings in multichromophoric systems.

  17. Electronic structure of ytterbium-implanted GaN at ambient and high pressure: experimental and crystal field studies.

    PubMed

    Kaminska, A; Ma, C-G; Brik, M G; Kozanecki, A; Boćkowski, M; Alves, E; Suchocki, A

    2012-03-07

    The results of high-pressure low-temperature optical measurements in a diamond-anvil cell of bulk gallium nitride crystals implanted with ytterbium are reported in combination with crystal field calculations of the Yb(3+) energy levels. Crystal field analysis of splitting of the (2)F(7/2) and (2)F(5/2) states has been performed, with the aim of assigning all features of the experimental luminescence spectra. A thorough analysis of the pressure behavior of the Yb(3+) luminescence lines in GaN allowed the determination of the ambient-pressure positions and pressure dependence of the Yb(3+) energy levels in the trigonal crystal field as well as the pressure-induced changes of the spin-orbit coupling coefficient.

  18. The Rotational Spectrum of Singly and Doubly 13C-SUBSTITUTED Dimethylether

    NASA Astrophysics Data System (ADS)

    Koerber, Monika; Endres, Christian P.; Lewen, Frank; Giesen, Thomas F.; Schlemmer, Stephan; Pohl, Roland; Klein, Axel

    2010-06-01

    Dimethylether (DME) is a nearly prolate asymmetric top with two internal rotors (methyl groups) which undergo periodic large amplitude motions and show a complicated torsional splitting of each rotational energy level. Due to its complex spectrum and its high abundance in hot cores such as Orion KL or Sagittarius B2 at temperatures exceeding 100 K, DME is very prominent in astronomical line surveys and contributes to spectral line confusion of such sources. The interpretation of astronomical observations therefore depends on the knowledge of accurate rest frequencies and reliable intensities. Precise predictions for the ground state of DME's main isotopologue are now available up to 2.1 THz In contrast, very little is known about 13C-substituted DME. Only a few data are available on singly 13C-substituted DME, 12CH_3O13CH_3. However, no data are available on doubly 13C-substituted DME, (13CH_3)_2O, yet. While in (13CH_3)_2O the two internal rotating methyl groups are equivalent and the splitting of rotational energy levels into four substates is comparable to the main isotopologue, singly 13C-substituted DME has two non-equivalent internal rotors resulting in torsional splitting of rotational energy levels into five substates. The purpose of our new laboratory measurements is to extend the knowledge on the astrophysically relevant species 12CH_3O13CH_3. To analyze the complicated spectrum resulting from a 13C-enriched sample of DME, containing all different 13C-substituted species as well as the main isotopologue, also precise data on doubly 13C-substituted DME are inevitable. We performed measurements in the frequency region 35-120 GHz using an all solid state spectrometer. Rotational as well as torsional parameters have been obtained for (13CH_3)_2O as well as 12CH_3O13CH_3 by fitting the assigned transitions to an effective rotational Hamiltonian introduced by Peter Groner. C. Comito et al., Astrophys. J. Suppl. Ser. 156, 127-167 (2005) C. P. Endres et al., Astronomy & Astrophysics 504, 635-640 (2009) Y. Niide and M. Hayashi, J. Mol. Spectrosc. 220, 65-79 (2003) P. Groner, J. Chem. Phys. 107, 4483-4498 (1997).

  19. Solar Water Splitting at λ=600 nm: A Step Closer to Sustainable Hydrogen Production.

    PubMed

    Zhang, Jinshui; Wang, Xinchen

    2015-06-15

    Overall water splitting with a semiconductor photocatalyst under visible-light irradiation is considered as a "dream reaction" in chemistry. The development of a 600 nm photocatalyst for solar water splitting highlighted here is not only an important milestone towards sustainable hydrogen production, but also a new starting point for artificial photosynthesis. STH=solar-to-hydrogen energy conversion efficiency. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Incentive and Architecture of Multi-Band Enabled Small Cell and UE for Up-/Down-Link and Control-/User-Plane Splitting for 5G Mobile Networks

    NASA Astrophysics Data System (ADS)

    Saha, Rony Kumer; Aswakul, Chaodit

    2017-01-01

    In this paper, a multi-band enabled femtocell base station (FCBS) and user equipment (UE) architecture is proposed in a multi-tier network that consists of small cells, including femtocells and picocells deployed over the coverage of a macrocell for splitting uplink and downlink (UL/DL) as well as control-plane and user-plane (C-/U-plane) for 5G mobile networks. Since splitting is performed at the same FCBS, we define this architecture as the same base station based split architecture (SBSA). For multiple bands, we consider co-channel (CC) microwave and different frequency (DF) 60 GHz millimeter wave (mmWave) bands for FCBSs and UEs with respect to the microwave band used by their over-laid macrocell base station. All femtocells are assumed to be deployed in a 3-dimensional multi-storage building. For CC microwave band, cross-tier CC interference of femtocells with macrocell is avoided using almost blank subframe based enhanced inter-cell interference coordination techniques. The co-existence of CC microwave and DF mmWave bands for SBSA on the same FCBS and UE is first studied to show their performance disparities in terms of system capacity and spectral efficiency in order to provide incentives for employing multiple bands at the same FCBS and UE and identify a suitable band for routing decoupled UL/DL or C-/U-plane traffic. We then present a number of disruptive architectural design alternatives of multi-band enabled SBSA for 5G mobile networks for UL/DL and C-/U-plane splitting, including a disruptive and complete splitting of UL/DL and C-/U-plane as well as a combined UL/DL and C-/U-plane splitting, by exploiting dual connectivity on CC microwave and DF mmWave bands. The outperformances of SBSA in terms of system level capacity, average spectral efficiency, energy efficiency, and control-plane overhead traffic capacity in comparison with different base stations based split architecture (DBSA) are shown. Finally, a number of technical and business perspectives as well as key research issues of SBSA are discussed.

  1. Energy Level Engineering of MoS2 by Transition-Metal Doping for Accelerating Hydrogen Evolution Reaction.

    PubMed

    Shi, Yi; Zhou, Yue; Yang, Dong-Rui; Xu, Wei-Xuan; Wang, Chen; Wang, Feng-Bin; Xu, Jing-Juan; Xia, Xing-Hua; Chen, Hong-Yuan

    2017-11-01

    Water-splitting devices for hydrogen generation through electrolysis (hydrogen evolution reaction, HER) hold great promise for clean energy. However, their practical application relies on the development of inexpensive and efficient catalysts to replace precious platinum catalysts. We previously reported that HER can be largely enhanced through finely tuning the energy level of molybdenum sulfide (MoS 2 ) by hot electron injection from plasmonic gold nanoparticles. Under this inspiration, herein, we propose a strategy to improve the HER performance of MoS 2 by engineering its energy level via direct transition-metal doping. We find that zinc-doped MoS 2 (Zn-MoS 2 ) exhibits superior electrochemical activity toward HER as evidenced by the positively shifted onset potential to -0.13 V vs RHE. A turnover of 15.44 s -1 at 300 mV overpotential is achieved, which by far exceeds the activity of MoS 2 catalysts reported. The large enhancement can be attributed to the synergistic effect of electronic effect (energy level matching) and morphological effect (rich active sites) via thermodynamic and kinetic acceleration, respectively. This design opens up further opportunities for improving electrocatalysts by incorporating promoters, which broadens the understanding toward the optimization of electrocatalytic activity of these unique materials.

  2. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hen, Itay; Karliner, Marek

    We study the zero-temperature crystalline structure of baby Skyrmions by applying a full-field numerical minimization algorithm to baby Skyrmions placed inside different parallelogramic unit cells and imposing periodic boundary conditions. We find that within this setup, the minimal energy is obtained for the hexagonal lattice, and that in the resulting configuration the Skyrmion splits into quarter Skyrmions. In particular, we find that the energy in the hexagonal case is lower than the one obtained on the well-studied rectangular lattice, in which splitting into half Skyrmions is observed.

  3. Potential energy and dipole moment surfaces for HF@C60: Prediction of spectral and electric response properties

    NASA Astrophysics Data System (ADS)

    Kalugina, Yulia N.; Roy, Pierre-Nicholas

    2017-12-01

    We present a five-dimensional potential energy surface (PES) for the HF@C60 system computed at the DF-LMP2/cc-pVTZ level of theory. We also calculated a five-dimensional dipole moment surface (DMS) based on DFT(PBE0)/cc-pVTZ calculations. The HF and C60 molecules are considered rigid with bond length rHF = 0.9255 Å (gas phase ground rovibrational state geometry). The C60 geometry is of Ih symmetry. The ab initio points were fitted to obtain a PES in terms of bipolar spherical harmonics. The minimum of the PES corresponds to a geometry where the center of mass of HF is located 0.11 Å away from the center of the cage with an interaction energy of -6.929 kcal/mol. The DMS was also represented in terms of bipolar spherical harmonics. The PES was used to calculate the rotation-translation bound states of HF@C60, and good agreement was found relative to the available experimental data [A. Krachmalnicoff et al., Nat. Chem. 8, 953 (2016)] except for the splitting of the first rotational excitation levels. We propose an empirical adjustment to the PES in order to account for the experimentally observed symmetry breaking. The form of that effective PES is additive. We also propose an effective Hamiltonian with an adjusted rotational constant in order to quantitatively reproduce the experimental results including the splitting of the first rotational state. We use our models to compute the molecular volume polarizability of HF confined by C60 and obtain good agreement with experiment.

  4. Potential energy and dipole moment surfaces for HF@C60: Prediction of spectral and electric response properties.

    PubMed

    Kalugina, Yulia N; Roy, Pierre-Nicholas

    2017-12-28

    We present a five-dimensional potential energy surface (PES) for the HF@C 60 system computed at the DF-LMP2/cc-pVTZ level of theory. We also calculated a five-dimensional dipole moment surface (DMS) based on DFT(PBE0)/cc-pVTZ calculations. The HF and C 60 molecules are considered rigid with bond length r HF = 0.9255 Å (gas phase ground rovibrational state geometry). The C 60 geometry is of I h symmetry. The ab initio points were fitted to obtain a PES in terms of bipolar spherical harmonics. The minimum of the PES corresponds to a geometry where the center of mass of HF is located 0.11 Å away from the center of the cage with an interaction energy of -6.929 kcal/mol. The DMS was also represented in terms of bipolar spherical harmonics. The PES was used to calculate the rotation-translation bound states of HF@C 60 , and good agreement was found relative to the available experimental data [A. Krachmalnicoff et al., Nat. Chem. 8, 953 (2016)] except for the splitting of the first rotational excitation levels. We propose an empirical adjustment to the PES in order to account for the experimentally observed symmetry breaking. The form of that effective PES is additive. We also propose an effective Hamiltonian with an adjusted rotational constant in order to quantitatively reproduce the experimental results including the splitting of the first rotational state. We use our models to compute the molecular volume polarizability of HF confined by C 60 and obtain good agreement with experiment.

  5. Leptogenesis from spin-gravity coupling following inflation.

    PubMed

    Mohanty, Subhendra; Prasanna, A R; Lambiase, G

    2006-02-24

    The energy levels of the left- and the right-handed neutrinos are split in the background of gravitational waves generated during inflation, which, in presence of lepton-number-violating interactions, gives rise to a net lepton asymmetry at equilibrium. Lepton number violation is achieved by the same dimension five operator which gives rise to neutrino masses after electroweak symmetry breaking. A net baryon asymmetry of the same magnitude can be generated from this lepton asymmetry by electroweak sphaleron processes.

  6. Dressed photon-orbital states in a quantum dot: Intervalley spin resonance

    DOE PAGES

    Scarlino, P.; Kawakami, E.; Jullien, T.; ...

    2017-04-19

    Because of the symmetry in silicon quantum wells, silicon quantum dots have an extra degree of freedom leading to a small energy splitting called the valley splitting. This degree of freedom has been viewed alternately as a hazard, especially when the lowest valley-orbit splitting is small compared to the thermal energy, or as an asset, most prominently in proposals to use the valley degree of freedom itself as a qubit. Here we present experiments in which microwave electric field driving induces transitions between both valley-orbit and spin states. We show that this system is highly nonlinear and can be understoodmore » through the use of dressed photon-orbital states, enabling a unified understanding of six resonance lines we observe in these experiments.« less

  7. Two mirror X-ray pulse split and delay instrument for femtosecond time resolved investigations at the LCLS free electron laser facility

    DOE PAGES

    Berrah, Nora; Fang, Li; Murphy, Brendan F.; ...

    2016-05-20

    We built a two-mirror based X-ray split and delay (XRSD) device for soft X-rays at the Linac Coherent Light Source free electron laser facility. The instrument is based on an edge-polished mirror design covering an energy range of 250 eV-1800 eV and producing a delay between the two split pulses variable up to 400 femtoseconds with a sub-100 attosecond resolution. We present experimental and simulation results regarding molecular dissociation dynamics in CH3I and CO probed by the XRSD device. In conclusion, we observed ion kinetic energy and branching ratio dependence on the delay times which were reliably produced by themore » XRSD instrument.« less

  8. High-resolution simulations of unstable cylindrical gravity currents undergoing wandering and splitting motions in a rotating system

    NASA Astrophysics Data System (ADS)

    Dai, Albert; Wu, Ching-Sen

    2018-02-01

    High-resolution simulations of unstable cylindrical gravity currents when wandering and splitting motions occur in a rotating system are reported. In this study, our attention is focused on the situation of unstable rotating cylindrical gravity currents when the ratio of Coriolis to inertia forces is larger, namely, 0.5 ≤ C ≤ 2.0, in comparison to the stable ones when C ≤ 0.3 as investigated previously by the authors. The simulations reproduce the major features of the unstable rotating cylindrical gravity currents observed in the laboratory, i.e., vortex-wandering or vortex-splitting following the contraction-relaxation motion, and good agreement is found when compared with the experimental results on the outrush radius of the advancing front and on the number of bulges. Furthermore, the simulations provide energy budget information which could not be attained in the laboratory. After the heavy fluid is released, the heavy fluid collapses and a contraction-relaxation motion is at work for approximately 2-3 revolutions of the system. During the contraction-relaxation motion of the heavy fluid, the unstable rotating cylindrical gravity currents behave similar to the stable ones. Towards the end of the contraction-relaxation motion, the dissipation rate in the system reaches a local minimum and a quasi-geostrophic equilibrium state is reached. After the quasi-geostrophic equilibrium state, vortex-wandering or vortex-splitting may occur depending on the ratio of Coriolis to inertia forces. The vortex-splitting process begins with non-axisymmetric bulges and, as the bulges grow, the kinetic energy increases at the expense of decreasing potential energy in the system. The completion of vortex-splitting is accompanied by a local maximum of dissipation rate and a local maximum of kinetic energy in the system. A striking feature of the unstable rotating cylindrical gravity currents is the persistent upwelling and downwelling motions, which are observed for both the vortex-wandering and vortex-splitting motions and were not previously documented for such flows. Depending on the Reynolds number, the bulges around the circumference of the unstable rotating cylindrical gravity currents may or may not develop into cutoff distinct circulations. The number of bulges is seen to be dependent on the ratio of Coriolis to inertia forces but independent of the Reynolds number for the range of Reynolds number considered in this study.

  9. Quasi-chemical theory of F-(aq): The "no split occupancies rule" revisited

    NASA Astrophysics Data System (ADS)

    Chaudhari, Mangesh I.; Rempe, Susan B.; Pratt, Lawrence R.

    2017-10-01

    We use ab initio molecular dynamics (AIMD) calculations and quasi-chemical theory (QCT) to study the inner-shell structure of F-(aq) and to evaluate that single-ion free energy under standard conditions. Following the "no split occupancies" rule, QCT calculations yield a free energy value of -101 kcal/mol under these conditions, in encouraging agreement with tabulated values (-111 kcal/mol). The AIMD calculations served only to guide the definition of an effective inner-shell constraint. QCT naturally includes quantum mechanical effects that can be concerning in more primitive calculations, including electronic polarizability and induction, electron density transfer, electron correlation, molecular/atomic cooperative interactions generally, molecular flexibility, and zero-point motion. No direct assessment of the contribution of dispersion contributions to the internal energies has been attempted here, however. We anticipate that other aqueous halide ions might be treated successfully with QCT, provided that the structure of the underlying statistical mechanical theory is absorbed, i.e., that the "no split occupancies" rule is recognized.

  10. Field-induced spin splitting and anomalous photoluminescence circular polarization in C H3N H3Pb I3 films at high magnetic field

    NASA Astrophysics Data System (ADS)

    Zhang, Chuang; Sun, Dali; Yu, Zhi-Gang; Sheng, Chuan-Xiang; McGill, Stephen; Semenov, Dmitry; Vardeny, Zeev Valy

    2018-04-01

    The organic-inorganic hybrid perovskites show excellent optical and electrical properties for photovoltaic and a myriad of other optoelectronics applications. Using high-field magneto-optical measurements up to 17.5 T at cryogenic temperatures, we have studied the spin-dependent optical transitions in the prototype C H3N H3Pb I3 , which are manifested in the field-induced circularly polarized photoluminescence emission. The energy splitting between left and right circularly polarized emission bands is measured to be ˜1.5 meV at 17.5 T, from which we obtained an exciton effective g factor of ˜1.32. Also from the photoluminescence diamagnetic shift we estimate the exciton binding energy to be ˜17 meV at low temperature. Surprisingly, the corresponding field-induced circular polarization is "anomalous" in that the photoluminescence emission of the higher split energy band is stronger than that of the lower split band. This "reversed" intensity ratio originates from the combination of long electron spin relaxation time and hole negative g factor in C H3N H3Pb I3 , which are in agreement with a model based on the k.p effective-mass approximation.

  11. Electron and nuclear spin interactions in the optical spectra of single GaAs quantum dots.

    PubMed

    Gammon, D; Efros, A L; Kennedy, T A; Rosen, M; Katzer, D S; Park, D; Brown, S W; Korenev, V L; Merkulov, I A

    2001-05-28

    Fine and hyperfine splittings arising from electron, hole, and nuclear spin interactions in the magneto-optical spectra of individual localized excitons are studied. We explain the magnetic field dependence of the energy splitting through competition between Zeeman, exchange, and hyperfine interactions. An unexpectedly small hyperfine contribution to the splitting close to zero applied field is described well by the interplay between fluctuations of the hyperfine field experienced by the nuclear spin and nuclear dipole/dipole interactions.

  12. Interior view showing split levels with buildings 87 windows in ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Interior view showing split levels with buildings 87 windows in distance; camera facing west. - Mare Island Naval Shipyard, Mechanics Shop, Waterfront Avenue, west side between A Street & Third Street, Vallejo, Solano County, CA

  13. Nuclear energy release from fragmentation

    NASA Astrophysics Data System (ADS)

    Li, Cheng; Souza, S. R.; Tsang, M. B.; Zhang, Feng-Shou

    2016-08-01

    It is well known that binary fission occurs with positive energy gain. In this article we examine the energetics of splitting uranium and thorium isotopes into various numbers of fragments (from two to eight) with nearly equal size. We find that the energy released by splitting 230,232Th and 235,238U into three equal size fragments is largest. The statistical multifragmentation model (SMM) is applied to calculate the probability of different breakup channels for excited nuclei. By weighing the probability distributions of fragment multiplicity at different excitation energies, we find the peaks of energy release for 230,232Th and 235,238U are around 0.7-0.75 MeV/u at excitation energy between 1.2 and 2 MeV/u in the primary breakup process. Taking into account the secondary de-excitation processes of primary fragments with the GEMINI code, these energy peaks fall to about 0.45 MeV/u.

  14. Electronic spectrum of non-tetrahedral acceptors in CdTe:Cl and CdTe:Bi,Cl single crystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Krivobok, V. S., E-mail: krivobok@lebedev.ru; Moscow Institute of Physics and Technology; Nikolaev, S. N.

    2016-02-07

    The electronic spectra of complex acceptors in compensated CdTe:Cl, CdTe:Ag,Cl, and CdTe:Bi,Cl single crystals are studied using low-temperature photoluminescence (PL) measurements under both nonresonant and resonant excitation of distant donor–acceptor pairs (DAP). The wavelength modulation of the excitation source combined with the analysis of the differential PL signal is used to enhance narrow spectral features obscured because of inhomogeneous line broadening and/or excitation transfer for selectively excited DAPs. For the well-known tetrahedral (T{sub D}) Ag{sub Cd} acceptor, the energies of four excited states are measured, and the values obtained are shown to be in perfect agreement with the previous data.more » Moreover, splitting between the 2P{sub 3/2} (Γ{sub 8}) and 2S{sub 3/2} (Γ{sub 8}) states is clearly observed for Ag{sub Cd} centers located at a short distance (5–7 nm) from a hydrogen-like donor (Cl{sub Te}). This splitting results from the reduction of the T{sub D} symmetry taking place when the acceptor is a member of a donor–acceptor pair. For the Cl-related complex acceptor with an activation energy of ∼121 meV (A-center), the energies of eight excited states are measured. It is shown that this defect produces low-symmetry central-cell correction responsible for the strong splitting of S-like T{sub D} shells. The energy spectrum of the Bi-related shallow acceptor with an activation energy of ∼36 meV is measured as well. The spectrum obtained differs drastically from the hydrogen-like set of levels, which indicates the existence of repulsive low-symmetry perturbation of the hydrogen-like Coulomb potential. It is also shown that the spectra of selectively excited PL recorded for a macroscopic ensemble of distant donor–acceptor pairs allow one to detect the low symmetry of acceptors of a given type caused by their complex nature or by the Jahn–Teller distortion. This method does not require any additional (external) field and is applicable to acceptors in diverse zinc-blende compound semiconductors.« less

  15. Split Dirac cones in HgTe/CdTe quantum wells due to symmetry-enforced level anticrossing at interfaces

    NASA Astrophysics Data System (ADS)

    Tarasenko, S. A.; Durnev, M. V.; Nestoklon, M. O.; Ivchenko, E. L.; Luo, Jun-Wei; Zunger, Alex

    2015-02-01

    HgTe is a band-inverted compound which forms a two-dimensional topological insulator if sandwiched between CdTe barriers for a HgTe layer thickness above the critical value. We describe the fine structure of Dirac states in the HgTe/CdTe quantum wells of critical and close-to-critical thicknesses and show that the necessary creation of interfaces brings in another important physical effect: the opening of a significant anticrossing gap between the tips of the Dirac cones. The level repulsion driven by the natural interface inversion asymmetry of zinc-blende heterostructures considerably modifies the electron states and dispersion but preserves the topological transition at the critical thickness. By combining symmetry analysis, atomistic calculations, and extended k .p theory with interface terms, we obtain a quantitative description of the energy spectrum and extract the interface mixing coefficient. We discuss how the fingerprints of the predicted zero-magnetic-field splitting of the Dirac cones could be detected experimentally by studying magnetotransport phenomena, cyclotron resonance, Raman scattering, and THz radiation absorption.

  16. Hyperfine structure measurements of neutral iodine atom (127I) using Fourier Transform Spectrometry

    NASA Astrophysics Data System (ADS)

    Ashok, Chilukoti; Vishwakarma, S. R.; Bhatt, Himal; Ankush, B. K.; Deo, M. N.

    2018-01-01

    We report the hyperfine Structure (hfs) splitting observations of neutral iodine atom (II) in the 6000 - 10,000 cm-1 near infrared spectral region. The measurements were carried out using a high-resolution Fourier Transform Spectrometer (FTS), where an electrodeless discharge lamp (EDL), excited using microwaves, was employed as the light source and InGaAs as the light detector. A specially designed setup was used to lower the plasma temperature of the medium so as to reduce the Doppler width and consequently to increase the spectral resolution of hfs components. A total of 183 lines with hfs splitting have been observed, out of which hfs in 53 spectral lines are reported for the first time. On the basis of hfs analysis, we derived the magnetic dipole and electric quadrupole coupling constants, A and B respectively for 30 even and 30 odd energy levels and are compared with the values available in the literature. New hfs values for 5 even and 4 odd levels are also reported here for the first time.

  17. Studies of molecular physics in sodium-potassium: An analysis of the 4(3)Sigma+ state and interactions between the 2(A)(1)Sigma+ and 1(b)(3)Pi states

    NASA Astrophysics Data System (ADS)

    Burns, Patrick

    2004-12-01

    In this dissertation we report the results of three experiments designed to provide new information on the structure and interactions of the NaK molecule. Specifically these experiments investigate 2(A)1Sigma +(upsilonA, J) + M → 1(b)3 pi0(upsilonb, J) + M collisional excitation transfers (where M is a collision partner), hyperfine structure of the NaK 1(b)3pi and 1(b)3pi0 ˜ 2(A)1Sigma+ spin-orbit interactions, and the structure and spectra of the NaK 43Sigma+ state, respectively. In this first experiment, populations of collisionally populated levels were recorded near the NaK 1(b)3pi0(upsilon =18, J = 44) ˜ 2(A)1Sigma+ (upsilon = 20, J = 44) center of spin-orbit perturbation. Our data indicate that population is transferred from the pumped level, 2(A) 1Sigma+(upsilon = 20, J = 49), directly to the surrounding "daughter" levels [1(b)3Sigma 0(upsilon =18, J = 45--48) and 2(A)1Sigma +(upsilon = 20, J = 45--48)]. The relative populations of the daughter levels appear anomalous, as their populations do not monotonically decrease for levels further away in energy from the pumped level. We have measured the hyperfine structure of mutually perturbing ro-vibrational levels of the 1(b)3pi0 and 2(A)1Sigma + states of the NaK molecule, using the PFOODR method with co-propagating lasers. Unperturbed 1(b)3pi0 levels are split into four hyperfine components by the Fermi contact interaction b FI·S. Mixing between the 1(b)3pi0 and 2(A)1Sigma + levels imparts hyperfine structure to the nominally singlet component, and reduces the hyperfine splitting of the nominally triplet component, of the perturbed levels. We determined a value for the Fermi constant, bF= (0.00989 +/- 0.00027) cm-1, and the magnitude of the electronic part of the 1(b)3pi 0 ˜ 2(A)1Sigma+ spin-orbit coupling, |Hel| = (15.65 +/- 0.14) cm-1 , from an analysis of the measured hyperfine splittings of the mixed singlet-triplet levels. High-resolution spectra have been observed for numerous vibrational-rotational levels (upsilon, N) of the 43Sigma + state of NaK. A potential curve was obtained from the data using the inverse perturbation approximation method. Measured bound-free emission, 43Sigma+ → 1(a)3Sigma +, was used to determine both the absolute vibrational numbering and the transition dipole moment function M(R). Each (upsilon, N) level is typically split into three sets of sublevels by the Fermi contact interaction bFI·S. Further splitting (of order 0.004 cm-1) has been attributed to the spin-rotation interaction gammaN·S. The values of bF that fit the data best are ˜(0.99 +/- 0.04) x 10-2 cm-1, with weak dependence on upsilon. The best fit values of gamma are in the range 1--6 x 10-4 cm-1 and depend strongly on upsilon.

  18. Fermi level position, Coulomb gap, and Dresselhaus splitting in (Ga,Mn)As

    NASA Astrophysics Data System (ADS)

    Souma, S.; Chen, L.; Oszwałdowski, R.; Sato, T.; Matsukura, F.; Dietl, T.; Ohno, H.; Takahashi, T.

    2016-06-01

    Carrier-induced nature of ferromagnetism in a ferromagnetic semiconductor, (Ga,Mn)As, offers a great opportunity to observe novel spin-related phenomena as well as to demonstrate new functionalities of spintronic devices. Here, we report on low-temperature angle-resolved photoemission studies of the valence band in this model compound. By a direct determination of the distance of the split-off band to the Fermi energy EF we conclude that EF is located within the heavy/light hole band. However, the bands are strongly perturbed by disorder and disorder-induced carrier correlations that lead to the Coulomb gap at EF, which we resolve experimentally in a series of samples, and show that its depth and width enlarge when the Curie temperature decreases. Furthermore, we have detected surprising linear magnetic dichroism in photoemission spectra of the split-off band. By a quantitative theoretical analysis we demonstrate that it arises from the Dresselhaus-type spin-orbit term in zinc-blende crystals. The spectroscopic access to the magnitude of such asymmetric part of spin-orbit coupling is worthwhile, as they account for spin-orbit torque in spintronic devices of ferromagnets without inversion symmetry.

  19. Fermi level position, Coulomb gap, and Dresselhaus splitting in (Ga,Mn)As

    PubMed Central

    Souma, S.; Chen, L.; Oszwałdowski, R.; Sato, T.; Matsukura, F.; Dietl, T.; Ohno, H.; Takahashi, T.

    2016-01-01

    Carrier-induced nature of ferromagnetism in a ferromagnetic semiconductor, (Ga,Mn)As, offers a great opportunity to observe novel spin-related phenomena as well as to demonstrate new functionalities of spintronic devices. Here, we report on low-temperature angle-resolved photoemission studies of the valence band in this model compound. By a direct determination of the distance of the split-off band to the Fermi energy EF we conclude that EF is located within the heavy/light hole band. However, the bands are strongly perturbed by disorder and disorder-induced carrier correlations that lead to the Coulomb gap at EF, which we resolve experimentally in a series of samples, and show that its depth and width enlarge when the Curie temperature decreases. Furthermore, we have detected surprising linear magnetic dichroism in photoemission spectra of the split-off band. By a quantitative theoretical analysis we demonstrate that it arises from the Dresselhaus-type spin-orbit term in zinc-blende crystals. The spectroscopic access to the magnitude of such asymmetric part of spin-orbit coupling is worthwhile, as they account for spin-orbit torque in spintronic devices of ferromagnets without inversion symmetry. PMID:27265402

  20. Low-energy spectral features of supernova (anti)neutrinos in inverted hierarchy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fogli, G. L.; Marrone, A.; Tamborra, I.

    2008-11-01

    In the dense supernova core, self-interactions may align the flavor polarization vectors of {nu} and {nu} and induce collective flavor transformations. Different alignment Ansaetze are known to describe approximately the phenomena of synchronized or bipolar oscillations and the split of {nu} energy spectra. We discuss another phenomenon observed in some numerical experiments in inverted hierarchy, showing features akin to a low-energy split of {nu} spectra. The phenomenon appears to be approximately described by another alignment Ansatz which, in the considered scenario, reduces the (nonadiabatic) dynamics of all energy modes to only two {nu} plus two {nu} modes. The associated spectralmore » features, however, appear to be fragile when passing from single to multiangle simulations.« less

  1. Solar-to-Chemical Energy Conversion with Photoelectrochemical Tandem Cells.

    PubMed

    Sivula, Kevin

    2013-01-01

    Efficiently and inexpensively converting solar energy into chemical fuels is an important goal towards a sustainable energy economy. An integrated tandem cell approach could reasonably convert over 20% of the sun's energy directly into chemical fuels like H2 via water splitting. Many different systems have been investigated using various combinations of photovoltaic cells and photoelectrodes, but in order to be economically competitive with the production of H2 from fossil fuels, a practical water splitting tandem cell must optimize cost, longevity and performance. In this short review, the practical aspects of solar fuel production are considered from the perspective of a semiconductor-based tandem cell and the latest advances with a very promising technology - metal oxide photoelectrochemical tandem cells - are presented.

  2. Electron spin resonance and spin-valley physics in a silicon double quantum dot.

    PubMed

    Hao, Xiaojie; Ruskov, Rusko; Xiao, Ming; Tahan, Charles; Jiang, HongWen

    2014-05-14

    Silicon quantum dots are a leading approach for solid-state quantum bits. However, developing this technology is complicated by the multi-valley nature of silicon. Here we observe transport of individual electrons in a silicon CMOS-based double quantum dot under electron spin resonance. An anticrossing of the driven dot energy levels is observed when the Zeeman and valley splittings coincide. A detected anticrossing splitting of 60 MHz is interpreted as a direct measure of spin and valley mixing, facilitated by spin-orbit interaction in the presence of non-ideal interfaces. A lower bound of spin dephasing time of 63 ns is extracted. We also describe a possible experimental evidence of an unconventional spin-valley blockade, despite the assumption of non-ideal interfaces. This understanding of silicon spin-valley physics should enable better control and read-out techniques for the spin qubits in an all CMOS silicon approach.

  3. Investigation of triaxiality in 54122-128Xe isotopes in the framework of sdg-IBM

    NASA Astrophysics Data System (ADS)

    Jafarizadeh, M. A.; Ranjbar, Z.; Fouladi, N.; Ghapanvari, M.

    In this paper, a transitional interacting boson model (IBM) Hamiltonian in both sd-(IBM) and sdg-IBM versions based on affine SU(1, 1) Lie algebra is employed to describe deviations from the gamma-unstable nature of Hamiltonian along the chain of Xe isotopes. sdg-IBM Hamiltonian proposed a better interpretation of this deviation which cannot be explained in the sd-boson models. The nuclei studied have well-known γ bands close to the γ-unstable limit. The energy levels, B(E2) transition rates and signature splitting of the γ -vibrational band are calculated via the affine SU(1,1) Lie algebra. An acceptable degree of agreement was achieved based on this procedure. It is shown that in these isotopes the signature splitting is better reproduced by the inclusion of sdg-IBM. In none of them, any evidence for a stable, triaxial ground state shape is found.

  4. Use of GLOBE Observations to Derive a Landsat 8 Split Window Algorithm for Urban Heat Island

    NASA Astrophysics Data System (ADS)

    Fagerstrom, L.; Czajkowski, K. P.

    2017-12-01

    Surface temperature has been studied to investigate the warming of urban climates, also known as urban heat islands, which can impact urban planning, public health, pollution levels, and energy consumption. However, the full potential of remotely sensed images is limited when analyzing land surface temperature due to the daunting task of correcting for atmospheric effects. Landsat 8 has two thermal infrared sensors. With two bands in the infrared region, a split window algorithm (SWA), can be applied to correct for atmospheric effects. This project used in situ surface temperature measurements from NASA's ground observation program, the Global Learning and Observations to Benefit the Environment (GLOBE), to derive the correcting coefficients for use in the SWA. The GLOBE database provided land surface temperature data that coincided with Landsat 8 overpasses. The land surface temperature derived from Landsat 8 SWA can be used to analyze for urban heat island effect.

  5. Three-Photon-Annihilation Contributions to Positronium Energies at Order m α7

    NASA Astrophysics Data System (ADS)

    Adkins, Gregory S.; Kim, Minji; Parsons, Christian; Fell, Richard N.

    2015-12-01

    Positronium spectroscopy (n =1 hyperfine splitting, n =2 fine structure, and the 2 S -1 S interval) has reached a precision of order 1 MHz. Vigorous ongoing efforts to improve the experimental results motivate the calculation of the positronium energy levels at order m α7. In this Letter, we present the result for a complete class of such contributions—those involving virtual annihilation of positronium to three photons in an intermediate state. We find an energy shift of 2.6216 (11 )m α7/(n π )3=11.5 /n3 kHz for the spin-triplet S state with principal quantum number n . The corresponding energy shift for true muonium (the μ+μ- bound state) is 2.38 /n3 MHz with an additional -5.33 /n3 MHz coming from electronic vacuum polarization.

  6. Magnetic properties and energy-mapping analysis.

    PubMed

    Xiang, Hongjun; Lee, Changhoon; Koo, Hyun-Joo; Gong, Xingao; Whangbo, Myung-Hwan

    2013-01-28

    The magnetic energy levels of a given magnetic solid are closely packed in energy because the interactions between magnetic ions are weak. Thus, in describing its magnetic properties, one needs to generate its magnetic energy spectrum by employing an appropriate spin Hamiltonian. In this review article we discuss how to determine and specify a necessary spin Hamiltonian in terms of first principles electronic structure calculations on the basis of energy-mapping analysis and briefly survey important concepts and phenomena that one encounters in reading the current literature on magnetic solids. Our discussion is given on a qualitative level from the perspective of magnetic energy levels and electronic structures. The spin Hamiltonian appropriate for a magnetic system should be based on its spin lattice, i.e., the repeat pattern of its strong magnetic bonds (strong spin exchange paths), which requires one to evaluate its Heisenberg spin exchanges on the basis of energy-mapping analysis. Other weaker energy terms such as Dzyaloshinskii-Moriya (DM) spin exchange and magnetocrystalline anisotropy energies, which a spin Hamiltonian must include in certain cases, can also be evaluated by performing energy-mapping analysis. We show that the spin orientation of a transition-metal magnetic ion can be easily explained by considering its split d-block levels as unperturbed states with the spin-orbit coupling (SOC) as perturbation, that the DM exchange between adjacent spin sites can become comparable in strength to the Heisenberg spin exchange when the two spin sites are not chemically equivalent, and that the DM interaction between rare-earth and transition-metal cations is governed largely by the magnetic orbitals of the rare-earth cation.

  7. Exactly solvable model of transitional nuclei based on dual algebraic structure for the three level pairing model in the framework of sdg interacting boson model

    NASA Astrophysics Data System (ADS)

    Jafarizadeh, M. A.; Ranjbar, Z.; Fouladi, N.; Ghapanvari, M.

    2018-01-01

    In this paper, a successful algebraic method based on the dual algebraic structure for three level pairing model in the framework of sdg IBM is proposed for transitional nuclei which show transitional behavior from spherical to gamma-unstable quantum shape phase transition. In this method complicated sdg Hamiltonian, which is a three level pairing Hamiltonian is determined easily via the exactly solvable method. This description provides a better interpretation of some observables such as BE (4) in nuclei which exhibits the necessity of inclusion of g boson in the sd IBM, while BE (4) cannot be explained in the sd boson model. Some observables such as Energy levels, BE (2), BE (4), the two neutron separation energies signature splitting of the γ-vibrational band and expectation values of the g-boson number operator are calculated and examined for 46 104 - 110Pd isotopes.

  8. An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium

    NASA Technical Reports Server (NTRS)

    Eppard, W. M.; Grossman, B.

    1993-01-01

    We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.

  9. Kondo peak splitting and Kondo dip in single molecular magnet junctions

    NASA Astrophysics Data System (ADS)

    Niu, Pengbin; Shi, Yunlong; Sun, Zhu; Nie, Yi-Hang; Luo, Hong-Gang

    2016-01-01

    Many factors containing bias, spin-orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin-orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments.

  10. Spin-orbit configuration interaction calculation of the potential energy curves of iodine oxide

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Roszak, S.; Krauss, M.; Alekseyev, A.B.

    2000-04-06

    An ab initio configuration interaction (CI) study including spin-orbit coupling is carried out for the ground and excited states of the IO radical by employing relativistic effective core potentials. The computed spectroscopic constants are in good agreement with available experimental data, with some tendency to underestimate the strength of bonding. The first excited state, a{sup 4}{Sigma}{sup {minus}}, which has not yet been observed experimentally, is predicted to be bound by 30.1 kJ/mol and to have a significantly larger equilibrium distance than the ground state. It is split by spin-orbit interaction into 1/2 and 3/2 components, with the 1/2 component beingmore » the lower one with a calculated spin-orbit splitting of 210 cm{sup {minus}1}. The most interesting state in the low-energy IO spectrum, A{sub 1}{sup 2}{Pi}{sub 3/2}, is shown to be predissociated due to interaction with a number of repulsive electronic states. Predissociation of the A{sup 1}, {nu}{prime} = 0, 1 vibrational levels is attributed to a fairly weak spin-orbit coupling with the {sup 2}{Delta}{sub 3/2} state, while rotationally dependent predissociation of the {nu}{prime} = 2 level is explained by the coupling with the 1/2(III) state having mainly {sup 2}{Sigma}{sup {minus}} character. Strong predissociation of the {nu}{prime} {ge} 4 levels is attributed to interaction with the higher-lying {Omega} = 3/2 states, with predominantly {sup 4}{Sigma}{sup +} and {sup 4}{Delta} origin.« less

  11. First-Principles Study of the Band Diagrams and Schottky-Type Barrier Heights of Aqueous Ta3N5 Interfaces.

    PubMed

    Watanabe, Eriko; Ushiyama, Hiroshi; Yamashita, Koichi

    2017-03-22

    The photo(electro)chemical production of hydrogen by water splitting is an efficient and sustainable method for the utilization of solar energy. To improve photo(electro)catalytic activity, a Schottky-type barrier is typically useful to separate excited charge carriers in semiconductor electrodes. Here, we focused on studying the band diagrams and the Schottky-type barrier heights of Ta 3 N 5 , which is one of the most promising materials as a photoanode for water splitting. The band alignments of the undoped and n-type Ta 3 N 5 with adsorbents in a vacuum were examined to determine how impurities and adsorbents affect the band positions and Fermi energies. The band edge positions as well as the density of surface states clearly depended on the density of O N impurities in the bulk and surface regions. Finally, the band diagrams of the n-type Ta 3 N 5 /water interfaces were calculated with an improved interfacial model to include the effect of electrode potential with explicit water molecules. We observed partial Fermi level pinning in our calculations at the Ta 3 N 5 /water interface, which affects the driving force for charge separation.

  12. Photoluminescence and contactless electroreflectance characterization of BexCd1-xSe alloys

    NASA Astrophysics Data System (ADS)

    Huang, P. J.; Huang, Y. S.; Firszt, F.; Meczynska, H.; Maksimov, O.; Tamargo, M. C.; Tiong, K. K.

    2007-01-01

    A detailed optical characterization of a Bridgman-grown wurtzite- (WZ-) type Be0.075Cd0.925Se mixed crystal and three zinc-blende (ZB) BexCd1-xSe epilayers grown by MBE on InP substrates has been carried out via photoluminescence (PL) and contactless electroreflectance (CER) in the temperature range of 15-400 K. The PL spectrum of the WZ-BeCdSe at low temperature consists of an exciton line, an edge emission feature due to recombination of donor-acceptor pairs, and a broad band related to recombination through deep-level defects, while the PL emission peaks of the ZB-BeCdSe epilayers show an asymmetric shape with a tail on the low-energy side. Various interband transitions, originating from the band edge and spin-orbit splitting critical points, of the samples have been observed in the CER spectra. The peak positions of the exciton emission lines in the PL spectra correspond quite well to the energies of the fundamental transitions determined from electromodulation data. The parameters that describe the temperature dependence of the fundamental and spin split-off bandgaps and the broadening function of the band-edge exciton are evaluated and discussed.

  13. Spectrum-splitting hybrid CSP-CPV solar energy system with standalone and parabolic trough plant retrofit applications

    NASA Astrophysics Data System (ADS)

    Orosz, Matthew; Zweibaum, Nicolas; Lance, Tamir; Ruiz, Maritza; Morad, Ratson

    2016-05-01

    Sunlight to electricity efficiencies of Parabolic Trough Collector (PTC) plants are typically on the order of 15%, while commercial solar Photovoltaic (PV) technologies routinely achieve efficiencies of greater than 20%, albeit with much higher conversion efficiencies of photons at the band gap. Hybridizing concentrating solar power and photovoltaic technologies can lead to higher aggregate efficiencies due to the matching of photons to the appropriate converter based on wavelength. This can be accomplished through spectral filtering whereby photons unusable or poorly utilitized by PV (IR and UV) are passed through to a heat collection element, while useful photons (VIS) are reflected onto a concentrating PV (CPV) receiver. The mechanical design and experimental validation of spectral splitting optics is described in conjunction with system level modeling and economic analysis. The implications of this architecture include higher efficiency, lower cost hybrid CSP-PV power systems, as well as the potential to retrofit existing PTC plants to boost their output by ~ 10% at a projected investment cost of less than 1 per additional net Watt and an IRR of 18%, while preserving the dispatchability of the CSP plant's thermal energy storage.

  14. Quantum confined Stark effect in organic fluorophores.

    NASA Astrophysics Data System (ADS)

    Peng, Xihong; Anderson, John; Tepper, Gary; Bandyopadhyay, Supriyo; Nayak, Saroj

    2008-03-01

    Fluorescent molecules have widely been used to detect and visualize structure and processes in biological samples due to its extraordinary sensitivity. However, the emission spectra of flurophores are usually broad and the accurate identification is difficult. Recently, experiments show that energy shifts by Stark effect can be used to aid the identification of organic molecules [1]. Stark effect originates from the shifting/splitting of energy levels when a molecule is under an external electric field, which shows a shift/splitting of a peak in absorption/emission spectra. The size of the shift depends on the magnitude of the external field and the molecular structure. In this talk we will show our theoretical study of the peak shifts on emission spectra for a series of organic fluorophores such as tyrosine, tryptophan, rhodamine123 and coumarin314 using density functional theory. We find that a particular peak shift is determined by the local dipole moments of molecular orbitals rather than the global dipole moment of the molecule. These molecular-specific shifts in emission spectra may enable to improve molecular identification in biosensors. Our results will be compared with experimental data. [1]Unpublished, S. Sarkar, B. Kanchibotla, S. Bandyopadhyay, G. Tepper, J. Edwards, J. Anderson, and R. Kessick.

  15. 76 FR 31946 - Energy Conservation Program for Certain Industrial Equipment: Publication of the Petition for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-02

    ... has been adopted by AHRI--``ANSI/AHRI 1230--2010: Performance Rating of Variable Refrigerant Flow (VRF... Refrigerant Flow (VRF) Multi-Split Systems, because the basic model contains design characteristics which... line of commercial (3- phase) VRF multi-split ``AIRSTAGE V-II''. 2. The Design Characteristics FUJITSU...

  16. Photocatalytic Water-Splitting Enhancement by Sub-Bandgap Photon Harvesting.

    PubMed

    Monguzzi, Angelo; Oertel, Amadeus; Braga, Daniele; Riedinger, Andreas; Kim, David K; Knüsel, Philippe N; Bianchi, Alberto; Mauri, Michele; Simonutti, Roberto; Norris, David J; Meinardi, Francesco

    2017-11-22

    Upconversion is a photon-management process especially suited to water-splitting cells that exploit wide-bandgap photocatalysts. Currently, such catalysts cannot utilize 95% of the available solar photons. We demonstrate here that the energy-conversion yield for a standard photocatalytic water-splitting device can be enhanced under solar irradiance by using a low-power upconversion system that recovers part of the unutilized incident sub-bandgap photons. The upconverter is based on a sensitized triplet-triplet annihilation mechanism (sTTA-UC) obtained in a dye-doped elastomer and boosted by a fluorescent nanocrystal/polymer composite that allows for broadband light harvesting. The complementary and tailored optical properties of these materials enable efficient upconversion at subsolar irradiance, allowing the realization of the first prototype water-splitting cell assisted by solid-state upconversion. In our proof-of concept device the increase of the performance is 3.5%, which grows to 6.3% if concentrated sunlight (10 sun) is used. Our experiments show how the sTTA-UC materials can be successfully implemented in technologically relevant devices while matching the strict requirements of clean-energy production.

  17. Heterogeneous Bimetallic Phosphide/Sulfide Nanocomposite for Efficient Solar-Energy-Driven Overall Water Splitting.

    PubMed

    Xin, Yanmei; Kan, Xiang; Gan, Li-Yong; Zhang, Zhonghai

    2017-10-24

    Solar-driven overall water splitting is highly desirable for hydrogen generation with sustainable energy sources, which need efficient, earth-abundant, robust, and bifunctional electrocatalysts for both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Herein, we propose a heterogeneous bimetallic phosphide/sulfide nanocomposite electrocatalyst of NiFeSP on nickel foam (NiFeSP/NF), which shows superior electrocatalytic activity of low overpotentials of 91 mV at -10 mA cm -2 for HER and of 240 mV at 50 mA cm -2 for OER in 1 M KOH solution. In addition, the NiFeSP/NF presents excellent overall water splitting performance with a cell voltage as low as 1.58 V at a current density of 10 mA cm -2 . Combining with a photovoltaic device of a Si solar cell or integrating into photoelectrochemical (PEC) systems, the bifunctional NiFeSP/NF electrocatalyst implements unassisted solar-driven water splitting with a solar-to-hydrogen conversion efficiency of ∼9.2% and significantly enhanced PEC performance, respectively.

  18. Gravitational energy in the framework of embedding and splitting theories

    NASA Astrophysics Data System (ADS)

    Grad, D. A.; Ilin, R. V.; Paston, S. A.; Sheykin, A. A.

    We study various definitions of the gravitational field energy based on the usage of isometric embeddings in the Regge-Teitelboim approach. For the embedding theory, we consider the coordinate translations on the surface as well as the coordinate translations in the flat bulk. In the latter case, the independent definition of gravitational energy-momentum tensor appears as a Noether current corresponding to global inner symmetry. In the field-theoretic form of this approach (splitting theory), we consider Noether procedure and the alternative method of energy-momentum tensor defining by varying the action of the theory with respect to flat bulk metric. As a result, we obtain energy definition in field-theoretic form of embedding theory which, among the other features, gives a nontrivial result for the solutions of embedding theory which are also solutions of Einstein equations. The question of energy localization is also discussed.

  19. Atomistic tight-binding theory of excitonic splitting energies in CdX(X = Se, S and Te)/ZnS core/shell nanocrystals

    NASA Astrophysics Data System (ADS)

    Sukkabot, Worasak; Pinsook, Udomsilp

    2017-01-01

    Using the atomistic tight-binding theory (TB) and a configuration interaction description (CI), we numerically compute the excitonic splitting of CdX(X = Se, S and Te)/ZnS core/shell nanocrystals with the objective to explain how types of the core materials and growth shell thickness can provide the detailed manipulation of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting, beneficial for the active application of quantum information. To analyze the splitting of the excitonic states, the optical band gaps, ground-state wave function overlaps and atomistic electron-hole interactions tend to be numerically demonstrated. Based on the atomistic computations, the single-particle and excitonic gaps are mainly reduced with the increasing ZnS shell thickness owing to the quantum confinement. In the range of the higher to lower energies, the order of the single-particle gaps is CdSe/ZnS, CdS/ZnS and CdTe/ZnS core/shell nanocrystals, while one of the excitonic gaps is CdS/ZnS, CdSe/ZnS and CdTe/ZnS core/shell nanocrystals because of the atomistic electron-hole interaction. The strongest electron-hole interactions are mainly observed in CdSe/ZnS core/shell nanocrystals. In addition, the computational results underline that the energies of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting are generally reduced with the increasing ZnS growth shell thickness as described by the trend of the electron-hole exchange interaction. The high-to-low splitting of the excitonic states is demonstrated in CdSe/ZnS, CdTe/ZnS and CdS/ZnS core/shell nanocrystals because of the fashion in the electron-hole exchange interaction and overlaps of the electron-hole wave functions. As the resulting calculations, it is expected that CdS/ZnS core/shell nanocrystals are the best candidates to be the source of entangled photons. Finally, the comprehensive information on the excitonic splitting can enable the use of suitable core/shell nanocrystals for the entangled photons in the application of quantum information.

  20. Study on frequency characteristics of wireless power transmission system based on magnetic coupling resonance

    NASA Astrophysics Data System (ADS)

    Liang, L. H.; Liu, Z. Z.; Hou, Y. J.; Zeng, H.; Yue, Z. K.; Cui, S.

    2017-11-01

    In order to study the frequency characteristics of the wireless energy transmission system based on the magnetic coupling resonance, a circuit model based on the magnetic coupling resonant wireless energy transmission system is established. The influence of the load on the frequency characteristics of the wireless power transmission system is analysed. The circuit coupling theory is used to derive the minimum load required to suppress frequency splitting. Simulation and experimental results verify that when the load size is lower than a certain value, the system will appear frequency splitting, increasing the load size can effectively suppress the frequency splitting phenomenon. The power regulation scheme of the wireless charging system based on magnetic coupling resonance is given. This study provides a theoretical basis for load selection and power regulation of wireless power transmission systems.

  1. Split-estate negotiations: the case of coal-bed methane

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hayley H. Chouinard; Christina Steinhoff

    Coal-bed methane is an emerging contributor to the US energy supply. Split estates, where landowners control the surface and the energy companies lease the rights to the underground gas from the federal government, often impede successful negotiations for methane extraction. We provide an extensive form representation of the dynamic game of the negotiation process for subsurface access. We then solve for a set of Nash equilibrium outcomes associated with the split estate negotiations. By examining the optimal offers we can identify methods to improve the likelihood of negotiations that do not break down and result in the gas developer resortingmore » to the use of a bond. We examine how changes in transaction costs or entitlements will affect the outcomes, and support our finds with anecdotal evidence from actual negotiations for coal-bed methane access. 55 refs.« less

  2. Inorganic perovskite photocatalysts for solar energy utilization.

    PubMed

    Zhang, Guan; Liu, Gang; Wang, Lianzhou; Irvine, John T S

    2016-10-24

    The development and utilization of solar energy in environmental remediation and water splitting is being intensively studied worldwide. During the past few decades, tremendous efforts have been devoted to developing non-toxic, low-cost, efficient and stable photocatalysts for water splitting and environmental remediation. To date, several hundreds of photocatalysts mainly based on metal oxides, sulfides and (oxy)nitrides with different structures and compositions have been reported. Among them, perovskite oxides and their derivatives (layered perovskite oxides) comprise a large family of semiconductor photocatalysts because of their structural simplicity and flexibility. This review specifically focuses on the general background of perovskite and its related materials, summarizes the recent development of perovskite photocatalysts and their applications in water splitting and environmental remediation, discusses the theoretical modelling and calculation of perovskite photocatalysts and presents the key challenges and perspectives on the research of perovskite photocatalysts.

  3. Reconstruction of Band Structure Induced by Electronic Nematicity in an FeSe Superconductor

    NASA Astrophysics Data System (ADS)

    Nakayama, K.; Miyata, Y.; Phan, G. N.; Sato, T.; Tanabe, Y.; Urata, T.; Tanigaki, K.; Takahashi, T.

    2014-12-01

    We have performed high-resolution angle-resolved photoemission spectroscopy on an FeSe superconductor (Tc˜8 K ), which exhibits a tetragonal-to-orthorhombic structural transition at Ts˜90 K . At low temperature, we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ˜110 K , slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.

  4. Maximal Rashba-like spin splitting via kinetic-energy-coupled inversion-symmetry breaking.

    PubMed

    Sunko, Veronika; Rosner, H; Kushwaha, P; Khim, S; Mazzola, F; Bawden, L; Clark, O J; Riley, J M; Kasinathan, D; Haverkort, M W; Kim, T K; Hoesch, M; Fujii, J; Vobornik, I; Mackenzie, A P; King, P D C

    2017-09-27

    Engineering and enhancing the breaking of inversion symmetry in solids-that is, allowing electrons to differentiate between 'up' and 'down'-is a key goal in condensed-matter physics and materials science because it can be used to stabilize states that are of fundamental interest and also have potential practical applications. Examples include improved ferroelectrics for memory devices and materials that host Majorana zero modes for quantum computing. Although inversion symmetry is naturally broken in several crystalline environments, such as at surfaces and interfaces, maximizing the influence of this effect on the electronic states of interest remains a challenge. Here we present a mechanism for realizing a much larger coupling of inversion-symmetry breaking to itinerant surface electrons than is typically achieved. The key element is a pronounced asymmetry of surface hopping energies-that is, a kinetic-energy-coupled inversion-symmetry breaking, the energy scale of which is a substantial fraction of the bandwidth. Using spin- and angle-resolved photoemission spectroscopy, we demonstrate that such a strong inversion-symmetry breaking, when combined with spin-orbit interactions, can mediate Rashba-like spin splittings that are much larger than would typically be expected. The energy scale of the inversion-symmetry breaking that we achieve is so large that the spin splitting in the CoO 2 - and RhO 2 -derived surface states of delafossite oxides becomes controlled by the full atomic spin-orbit coupling of the 3d and 4d transition metals, resulting in some of the largest known Rashba-like spin splittings. The core structural building blocks that facilitate the bandwidth-scaled inversion-symmetry breaking are common to numerous materials. Our findings therefore provide opportunities for creating spin-textured states and suggest routes to interfacial control of inversion-symmetry breaking in designer heterostructures of oxides and other material classes.

  5. Exponential protection of zero modes in Majorana islands.

    PubMed

    Albrecht, S M; Higginbotham, A P; Madsen, M; Kuemmeth, F; Jespersen, T S; Nygård, J; Krogstrup, P; Marcus, C M

    2016-03-10

    Majorana zero modes are quasiparticle excitations in condensed matter systems that have been proposed as building blocks of fault-tolerant quantum computers. They are expected to exhibit non-Abelian particle statistics, in contrast to the usual statistics of fermions and bosons, enabling quantum operations to be performed by braiding isolated modes around one another. Quantum braiding operations are topologically protected insofar as these modes are pinned near zero energy, with the departure from zero expected to be exponentially small as the modes become spatially separated. Following theoretical proposals, several experiments have identified signatures of Majorana modes in nanowires with proximity-induced superconductivity and atomic chains, with small amounts of mode splitting potentially explained by hybridization of Majorana modes. Here, we use Coulomb-blockade spectroscopy in an InAs nanowire segment with epitaxial aluminium, which forms a proximity-induced superconducting Coulomb island (a 'Majorana island') that is isolated from normal-metal leads by tunnel barriers, to measure the splitting of near-zero-energy Majorana modes. We observe exponential suppression of energy splitting with increasing wire length. For short devices of a few hundred nanometres, sub-gap state energies oscillate as the magnetic field is varied, as is expected for hybridized Majorana modes. Splitting decreases by a factor of about ten for each half a micrometre of increased wire length. For devices longer than about one micrometre, transport in strong magnetic fields occurs through a zero-energy state that is energetically isolated from a continuum, yielding uniformly spaced Coulomb-blockade conductance peaks, consistent with teleportation via Majorana modes. Our results help to explain the trivial-to-topological transition in finite systems and to quantify the scaling of topological protection with end-mode separation.

  6. Application of particle splitting method for both hydrostatic and hydrodynamic cases in SPH

    NASA Astrophysics Data System (ADS)

    Liu, W. T.; Sun, P. N.; Ming, F. R.; Zhang, A. M.

    2018-01-01

    Smoothed particle hydrodynamics (SPH) method with numerical diffusive terms shows satisfactory stability and accuracy in some violent fluid-solid interaction problems. However, in most simulations, uniform particle distributions are used and the multi-resolution, which can obviously improve the local accuracy and the overall computational efficiency, has seldom been applied. In this paper, a dynamic particle splitting method is applied and it allows for the simulation of both hydrostatic and hydrodynamic problems. The splitting algorithm is that, when a coarse (mother) particle enters the splitting region, it will be split into four daughter particles, which inherit the physical parameters of the mother particle. In the particle splitting process, conservations of mass, momentum and energy are ensured. Based on the error analysis, the splitting technique is designed to allow the optimal accuracy at the interface between the coarse and refined particles and this is particularly important in the simulation of hydrostatic cases. Finally, the scheme is validated by five basic cases, which demonstrate that the present SPH model with a particle splitting technique is of high accuracy and efficiency and is capable for the simulation of a wide range of hydrodynamic problems.

  7. Temperature- and pressure-dependent infrared spectroscopy of 1-butyl-3-methylimidazolium trifluoromethanesulfonate: A dipolar coupling theory analysis

    NASA Astrophysics Data System (ADS)

    Burba, Christopher M.; Chang, Hai-Chou

    2018-03-01

    Continued growth and development of ionic liquids requires a thorough understanding of how cation and anion molecular structure defines the liquid structure of the materials as well as the various properties that make them technologically useful. Infrared spectroscopy is frequently used to assess molecular-level interactions among the cations and anions of ionic liquids because the intramolecular vibrational modes of the ions are sensitive to the local potential energy environments in which they reside. Thus, different interaction modes among the ions may lead to different spectroscopic signatures in the vibrational spectra. Charge organization present in ionic liquids, such as 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([C4mim]CF3SO3), is frequently modeled in terms of a quasicrystalline structure. Highly structured quasilattices enable the dynamic coupling of vibrationally-induced dipole moments to produce optical dispersion and transverse optical-longitudinal optical (TO-LO) splitting of vibrational modes of the ionic liquid. According to dipolar coupling theory, the degree of TO-LO splitting is predicted to have a linear dependence on the number density of the ionic liquid. Both temperature and pressure will affect the number density of the ionic liquid and, therefore, the amount of TO-LO splitting for this mode. Therefore, we test these relationships through temperature- and pressure-dependent FT-IR spectroscopic studies of [C4mim]CF3SO3, focusing on the totally symmetric Ssbnd O stretching mode for the anion, νs(SO3). Increased temperature decreases the amount of TO-LO splitting for νs(SO3), whereas elevated pressure is found to increase the amount of band splitting. In both cases, the experimental observations follow the general predictions of dipolar coupling theory, thereby supporting the quasilattice model for this ionic liquid.

  8. Particulate Photocatalyst Sheets Based on Carbon Conductor Layer for Efficient Z-Scheme Pure-Water Splitting at Ambient Pressure.

    PubMed

    Wang, Qian; Hisatomi, Takashi; Suzuki, Yohichi; Pan, Zhenhua; Seo, Jeongsuk; Katayama, Masao; Minegishi, Tsutomu; Nishiyama, Hiroshi; Takata, Tsuyoshi; Seki, Kazuhiko; Kudo, Akihiko; Yamada, Taro; Domen, Kazunari

    2017-02-01

    Development of sunlight-driven water splitting systems with high efficiency, scalability, and cost-competitiveness is a central issue for mass production of solar hydrogen as a renewable and storable energy carrier. Photocatalyst sheets comprising a particulate hydrogen evolution photocatalyst (HEP) and an oxygen evolution photocatalyst (OEP) embedded in a conductive thin film can realize efficient and scalable solar hydrogen production using Z-scheme water splitting. However, the use of expensive precious metal thin films that also promote reverse reactions is a major obstacle to developing a cost-effective process at ambient pressure. In this study, we present a standalone particulate photocatalyst sheet based on an earth-abundant, relatively inert, and conductive carbon film for efficient Z-scheme water splitting at ambient pressure. A SrTiO 3 :La,Rh/C/BiVO 4 :Mo sheet is shown to achieve unassisted pure-water (pH 6.8) splitting with a solar-to-hydrogen energy conversion efficiency (STH) of 1.2% at 331 K and 10 kPa, while retaining 80% of this efficiency at 91 kPa. The STH value of 1.0% is the highest among Z-scheme pure water splitting operating at ambient pressure. The working mechanism of the photocatalyst sheet is discussed on the basis of band diagram simulation. In addition, the photocatalyst sheet split pure water more efficiently than conventional powder suspension systems and photoelectrochemical parallel cells because H + and OH - concentration overpotentials and an IR drop between the HEP and OEP were effectively suppressed. The proposed carbon-based photocatalyst sheet, which can be used at ambient pressure, is an important alternative to (photo)electrochemical systems for practical solar hydrogen production.

  9. Spectrum splitting metrics and effect of filter characteristics on photovoltaic system performance.

    PubMed

    Russo, Juan M; Zhang, Deming; Gordon, Michael; Vorndran, Shelby; Wu, Yuechen; Kostuk, Raymond K

    2014-03-10

    During the past few years there has been a significant interest in spectrum splitting systems to increase the overall efficiency of photovoltaic solar energy systems. However, methods for comparing the performance of spectrum splitting systems and the effects of optical spectral filter design on system performance are not well developed. This paper addresses these two areas. The system conversion efficiency is examined in detail and the role of optical spectral filters with respect to the efficiency is developed. A new metric termed the Improvement over Best Bandgap is defined which expresses the efficiency gain of the spectrum splitting system with respect to a similar system that contains the highest constituent single bandgap photovoltaic cell. This parameter indicates the benefit of using the more complex spectrum splitting system with respect to a single bandgap photovoltaic system. Metrics are also provided to assess the performance of experimental spectral filters in different spectrum splitting configurations. The paper concludes by using the methodology to evaluate spectrum splitting systems with different filter configurations and indicates the overall efficiency improvement that is possible with ideal and experimental designs.

  10. Microwave measurements of proton tunneling and structural parameters for the propiolic acid-formic acid dimer.

    PubMed

    Daly, Adam M; Douglass, Kevin O; Sarkozy, Laszlo C; Neill, Justin L; Muckle, Matt T; Zaleski, Daniel P; Pate, Brooks H; Kukolich, Stephen G

    2011-10-21

    Microwave spectra of the propiolic acid-formic acid doubly hydrogen bonded complex were measured in the 1 GHz to 21 GHz range using four different Fourier transform spectrometers. Rotational spectra for seven isotopologues were obtained. For the parent isotopologue, a total of 138 a-dipole transitions and 28 b-dipole transitions were measured for which the a-dipole transitions exhibited splittings of a few MHz into pairs of lines and the b-type dipole transitions were split by ~580 MHz. The transitions assigned to this complex were fit to obtain rotational and distortion constants for both tunneling levels: A(0+) = 6005.289(8), B(0+) = 930.553(8), C(0+) = 803.9948(6) MHz, Δ(0+)(J) = 0.075(1), Δ(0+)(JK) = 0.71(1), and δ(0+)(j) = -0.010(1) kHz and A(0-) = 6005.275(8), B(0-) = 930.546(8), C(0-) = 803.9907(5) MHz, Δ(0-)(J) = 0.076(1), Δ(0-)(JK) = 0.70(2), and δ(0-)(j) = -0.008(1) kHz. Double resonance experiments were used on some transitions to verify assignments and to obtain splittings for cases when the b-dipole transitions were difficult to measure. The experimental difference in energy between the two tunneling states is 291.428(5) MHz for proton-proton exchange and 3.35(2) MHz for the deuterium-deuterium exchange. The vibration-rotation coupling constant between the two levels, F(ab), is 120.7(2) MHz for the proton-proton exchange. With one deuterium atom substituted in either of the hydrogen-bonding protons, the tunneling splittings were not observed for a-dipole transitions, supporting the assignment of the splitting to the concerted proton tunneling motion. The spectra were obtained using three Flygare-Balle type spectrometers and one chirped-pulse machine at the University of Virginia. Rotational constants and centrifugal distortion constants were obtained for HCOOH···HOOCCCH, H(13)COOH···HOOCCCH, HCOOD···HOOCCCH, HCOOH···DOOCCCH, HCOOD···DOOCCCH, DCOOH···HOOCCCH, and DCOOD···HOOCCCH. High-level ab initio calculations provided initial rotational constants for the complex, structural parameters, and some details of the proton tunneling potential energy surface. A least squares fit to the isotopic data reveals a planar structure that is slightly asymmetric in the OH distances. The formic OH···O propiolic hydrogen bond length is 1.8 Å and the propiolic OH···O formic hydrogen bond length is 1.6 Å, for the equilibrium configuration. The magnitude of the dipole moment was experimentally determined to be 1.95(3) × 10(-30) C m (0.584(8) D) for the 0(+) states and 1.92(5) × 10(-30) C m (0.576(14) D) for the 0(-) states. © 2011 American Institute of Physics

  11. Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Xie, L. Y.; Wang, J. G.; Janev, R. K.

    2014-06-01

    The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl →ɛ,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels. The relativistic effects are studied in the photoionization of Fe25+ ion, as an example.

  12. Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xie, L. Y.; Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009-26, Beijing 100088; Wang, J. G.

    2014-06-15

    The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl→ε,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels.more » The relativistic effects are studied in the photoionization of Fe{sup 25+} ion, as an example.« less

  13. Bench-scale performance testing and economic analyses of electrostatic dry coal cleaning. Final report, October 1980-July 1983

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rich, S.R.

    1987-02-01

    The report gives results of preliminary performance evaluations and economic analyses of the Advanced Energy Dynamics (AED) electrostatic dry coal-cleaning process. Grab samples of coal-feed-product coals were obtained from 25 operating physical coal-cleaning (PCC) plants. These samples were analyzed for ash, sulfur, and energy content and splits of the original samples of feed run-of-mine coal were provided for bench-scale testing in an electrostatic separation apparatus. The process showed superior sulfur-removal performance at equivalent cost and energy-recovery levels. The ash-removal capability of the process was not evaluated completely: overall, ash-removal results indicated that the process did not perform as well asmore » the PCC plants.« less

  14. Localization or tunneling in asymmetric double-well potentials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Song, Dae-Yup, E-mail: dsong@sunchon.ac.kr

    An asymmetric double-well potential is considered, assuming that the wells are parabolic around the minima. The WKB wave function of a given energy is constructed inside the barrier between the wells. By matching the WKB function to the exact wave functions of the parabolic wells on both sides of the barrier, for two almost degenerate states, we find a quantization condition for the energy levels which reproduces the known energy splitting formula between the two states. For the other low-lying non-degenerate states, we show that the eigenfunction should be primarily localized in one of the wells with negligible magnitude inmore » the other. Using Dekker’s method (Dekker, 1987), the present analysis generalizes earlier results for weakly biased double-well potentials to systems with arbitrary asymmetry.« less

  15. Recent advances in visible-light-responsive photocatalysts for hydrogen production and solar energy conversion--from semiconducting TiO2 to MOF/PCP photocatalysts.

    PubMed

    Horiuchi, Yu; Toyao, Takashi; Takeuchi, Masato; Matsuoka, Masaya; Anpo, Masakazu

    2013-08-28

    The present perspective describes recent advances in visible-light-responsive photocatalysts intended to develop novel and efficient solar energy conversion technologies, including water splitting and photofuel cells. Water splitting is recognized as one of the most promising techniques to convert solar energy as a clean and abundant energy resource into chemical energy in the form of hydrogen. In recent years, increasing concern is directed to not only the development of new photocatalytic materials but also the importance of technologies to produce hydrogen and oxygen separately. Photofuel cells can convert solar energy into electrical energy by decomposing bio-related compounds and livestock waste as fuels. The advances of photocatalysts enabling these solar energy conversion technologies have been going on since the discovery of semiconducting titanium dioxide materials and have extended to organic-inorganic hybrid materials, such as metal-organic frameworks and porous coordination polymers (MOF/PCP).

  16. Iron monocyanide (FeCN): Spin-orbit and vibronic interactions in low-lying electronic states

    NASA Astrophysics Data System (ADS)

    Jerosimić, Stanka V.; Milovanović, Milan Z.

    2018-04-01

    The spin-orbit eigenvalues of low-energy quartet and sextet spatially degenerate electronic states of FeCN are reported, together with the combined effect of vibronic and spin-orbit interaction in the lowest-lying 14Δ and 16Δ states of FeCN, by using perturbational and variational method. Spin-orbit constants (ASO) have been calculated in the basis of: (a) two components of each degenerate state, (b) four components of 14Δ and 14Π (16Δ and 16Π) states, and (c) ten components of 16Δ, 16Π, 16Σ+, 14Δ, 14Π, and 14Σ+ states. The present calculations predict the values of ASO= -77 cm-1 for 16Δ and ASO= -108 cm-1 for 14Δ state in the lowest-energy spin-orbit manifolds of each state. The major perturbing state for the 14Δ state is the 14Π state (16Π for the sextet 16Δ). As expected, based on extremely small splitting and shallowness of the bending potential energy curves for the lowest-lying 4,6Δ states, the present study indicate that the vibronic coupling does not create significant splitting of the bending levels, but the influence of anharmonicity in the bending mode is more pronounced. However, the spin-orbit fine structure dominantly influences the spectra of this species.

  17. Surface engineering of graphitic carbon nitride polymers with cocatalysts for photocatalytic overall water splitting

    PubMed Central

    Zhang, Guigang; Lan, Zhi-An

    2017-01-01

    Graphitic carbon nitride based polymers, being metal-free, accessible, environmentally benign and sustainable, have been widely investigated for artificial photosynthesis in recent years for the photocatalytic splitting of water to produce hydrogen fuel. However, the photocatalytic stoichiometric splitting of pure water into H2 and O2 with a molecular ratio of 2 : 1 is far from easy, and is usually hindered by the huge activation energy barrier and sluggish surface redox reaction kinetics. Herein, we provide a concise overview of cocatalyst modified graphitic carbon nitride based photocatalysts, with our main focus on the modulation of the water splitting redox reaction kinetics. We believe that a timely and concise review on this promising but challenging research topic will certainly be beneficial for general readers and researchers in order to better understand the property–activity relationship towards overall water splitting, which could also trigger the development of new organic architectures for photocatalytic overall water splitting through the rational control of surface chemistry. PMID:28959425

  18. First High Resolution Analysis of the ν21 Band of Propane at 921.4 wn: Evidence of Large-Amplitude Tunnelling Effects

    NASA Astrophysics Data System (ADS)

    Perrin, Agnes; Kwabia Tchana, F.; Flaud, Jean-Marie; Manceron, Laurent; Demaison, Jean; Vogt, Natalja; Groner, Peter; Lafferty, Walter

    2015-06-01

    A high resolution (0.0015 wn) IR spectrum of propane, C_3H_8, has been recorded with synchrotron radiation at the French light source facility at SOLEIL coupled to a Bruker IFS-125 Fourier transform spectrometer. A preliminary analysis of the ν21 fundamental band (B1, CH3 rock) near 921.4 wn reveals that the rotational energy levels of 211 are split by interactions with the internal rotations of the methyl groups. Conventional analysis of this A-type band yielded band centers at 921.3724(38), 921.3821(33) and 921.3913(44) wn for the AA, EE and AE+EA tunneling splitting components, respectively. These torsional splittings most probably are due to anharmonic and/or Coriolis resonance coupling with nearby highly excited states of both internal rotations of the methyl groups. In addition, several vibrational-rotational resonances were observed that affect the torsional components in different ways. The analysis of the B-type band near 870 wn (ν8, sym. C-C stretch) which also contains split rovibrational transitions due to internal rotation is in progress. It is performed by using the effective rotational Hamiltonian method ERHAM with a code that allows prediction and least-squares fitting of such vibration-rotation spectra. A. Perrin et al., submitted to J. Mol. Spectrosc. P. Groner, J. Chem. Phys. 107 (1997) 4483; J. Mol. Spectrosc. 278 (2012) 52.

  19. Generation of sub-femtoliter droplet by T-junction splitting on microfluidic chips

    NASA Astrophysics Data System (ADS)

    Yang, Yu-Jun; Feng, Xuan; Xu, Na; Pang, Dai-Wen; Zhang, Zhi-Ling

    2013-03-01

    In the paper, sub-femtoliter droplets were easily produced by droplet splitting at a simple T-junction with orifice, which did not need expensive equipments, complex photolithography skill, or high energy input. The volume of the daughter droplet was not limited by channel size but controlled by channel geometry and fluidic characteristic. Moreover, single bead sampling and bead quantification in different orders of magnitude of droplet volumes were investigated. The droplets split at our T-junction chip had small volume and monodispersed size and could be produced efficiently, orderly, and controllably.

  20. Visible-light driven nitrogen-doped petal-morphological ceria nanosheets for water splitting

    NASA Astrophysics Data System (ADS)

    Qian, Junchao; Zhang, Wenya; Wang, Yaping; Chen, Zhigang; Chen, Feng; Liu, Chengbao; Lu, Xiaowang; Li, Ping; Wang, Kaiyuan; Chen, Ailian

    2018-06-01

    Water splitting is a promising sustainable technology for solar-to-chemical energy conversion. Herein, we successfully fabricated nitrogen-doped ultrathin CeO2 nanosheets by using field poppy petals as templates, which exhibit an efficiently catalytic activity for water splitting. Abundant oxygen vacancies and substitutional N atoms were experimentally observed in the film due to its unique biomorphic texture. In view of high efficiency and long durability of the as-prepared photocatalyst, this biotemplate method may provide an alternative technique for using biomolecules to assemble 2D nanomaterials.

  1. Normal-Mode Splitting in a Weakly Coupled Optomechanical System

    NASA Astrophysics Data System (ADS)

    Rossi, Massimiliano; Kralj, Nenad; Zippilli, Stefano; Natali, Riccardo; Borrielli, Antonio; Pandraud, Gregory; Serra, Enrico; Di Giuseppe, Giovanni; Vitali, David

    2018-02-01

    Normal-mode splitting is the most evident signature of strong coupling between two interacting subsystems. It occurs when two subsystems exchange energy between themselves faster than they dissipate it to the environment. Here we experimentally show that a weakly coupled optomechanical system at room temperature can manifest normal-mode splitting when the pump field fluctuations are antisquashed by a phase-sensitive feedback loop operating close to its instability threshold. Under these conditions the optical cavity exhibits an effectively reduced decay rate, so that the system is effectively promoted to the strong coupling regime.

  2. New laboratory atomic data for neutral, singly and doubly ionised iron group elements for astrophysics applications

    NASA Astrophysics Data System (ADS)

    Pickering, Juliet C.; Nave, Gillian; Liggins, Florence; Clear, Christian; Ruffoni, Matthew; Sansonetti, Craig

    2015-08-01

    We present new laboratory spectroscopic measurements to produce atomic data for astrophysically important species: neutral, singly and doubly ionised iron group elements.We use high resolution Fourier Transform Spectrometry (FTS) (resolving power up to 2x106 at 200nm) to measure atomic spectra, giving accurate line wavelengths (to a few parts in 108), atomic energy levels, hyperfine structure splitting and log gfs (accurate to a few %) (Ruffoni et al this meeting). These data are vital for astrophysical spectral analyses for: line identification, spectrum synthesis, elemental abundance determinations [eg 1], and disentangling of blends etc. It is not possible to theoretically calculate these atomic data to the accuracy needed for modern astrophysics applications.At Imperial College we have a unique visible-VUV FT spectrometer with short wavelength cut-off of 135nm. We supplement FTS data at shorter wavelengths with spectra recorded on the NIST 10.7m grating spectrograph (with phosphor image or photographic plates) and at longer wavelengths in the IR we use the NIST IR FT spectrometer.An elemental spectrum may contain thousands of spectral lines from the IR to VUV. We use these wavelengths to correct known atomic energy levels, and search for new atomic levels. The result is a classified linelist and accurate atomic energy levels.We present progress on iron group element atomic energy levels and wavelengths for V I and V II [2,3], Co III [4], Cr I, Mn I and Mn II, and Ni II.This work is supported by STFC(UK), The Leverhulme Trust, The Royal Society and NASA.References[1] Bergemann M, Pickering JC & Gehren T,“NLTE analysis of Co I/Co II lines in spectra of cool stars with new laboratory hyperfine splitting constants",MNRAS 401(2) 1334 (2010)[2] Thorne AP, Pickering JC & Semeniuk J,“The spectrum and term analysis of V II”, ApJS 207,13 (2013)[3] Thorne AP, Pickering JC & Semeniuk J,“The spectrum and term analysis of V I",ApJS 192,11 (2011)[4] Smillie DG, Pickering JC, Nave G & Smith PL,“The Spectrum and Term Analysis of Co III Measured using Fourier Transform and Grating Spectroscopy”,ApJS submitted

  3. 76 FR 34685 - Energy Conservation Program for Certain Commercial and Industrial Equipment: Decision and Order...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-14

    .... The waiver is specific to the Daikin VRV III-PB variable refrigerant flow (VRF) multi-split commercial... this notice to test and rate its VRV III-PB variable refrigerant flow (VRF) multi-split commercial heat... Institute (ANSI/ AHRI) Standard 1230-2010, ``Performance Rating of Variable Refrigerant Flow (VRF) Multi...

  4. Introducing inducible fluorescent split cholesterol oxidase to mammalian cells.

    PubMed

    Chernov, Konstantin G; Neuvonen, Maarit; Brock, Ivonne; Ikonen, Elina; Verkhusha, Vladislav V

    2017-05-26

    Cholesterol oxidase (COase) is a bacterial enzyme catalyzing the first step in the biodegradation of cholesterol. COase is an important biotechnological tool for clinical diagnostics and production of steroid drugs and insecticides. It is also used for tracking intracellular cholesterol; however, its utility is limited by the lack of an efficient temporal control of its activity. To overcome this we have developed a regulatable fragment complementation system for COase cloned from Chromobacterium sp. The enzyme was split into two moieties that were fused to FKBP (FK506-binding protein) and FRB (rapamycin-binding domain) pair and split GFP fragments. The addition of rapamycin reconstituted a fluorescent enzyme, termed split GFP-COase, the fluorescence level of which correlated with its oxidation activity. A rapid decrease of cellular cholesterol induced by intracellular expression of the split GFP-COase promoted the dissociation of a cholesterol biosensor D4H from the plasma membrane. The process was reversible as upon rapamycin removal, the split GFP-COase fluorescence was lost, and cellular cholesterol levels returned to normal. These data demonstrate that the split GFP-COase provides a novel tool to manipulate cholesterol in mammalian cells. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  5. Outdoor measurements of a photovoltaic system using diffractive spectrum-splitting and concentration

    DOE PAGES

    Mohammad, N.; Schulz, M.; Wang, P.; ...

    2016-09-16

    In a single-bandgap absorber, photons having energy less than the bandgap are not absorbed, while those having energy larger than the bandgap lose the excess energy via thermalization. We present outdoor measurements of a photovoltaic system that overcomes these losses via spectrum splitting and concentration using a planar diffractive optic. The system was comprised of the diffractive optic coupled with GaInP and CIGS solar cells. The optic provides a geometric concentration of 3X for each solar cell. It is easily fabricated by single-step grayscale lithography and it is ultra-thin with a maximum thickness of only 2.5μm. Electrical measurements under directmore » sunlight demonstrated an increase of ~25% in total output power compared to the reference case without spectrum splitting and concentration. Since different bandgaps are in the same plane, the proposed photovoltaic system successfully circumvents the lattice-matching and current-matching issues in conventional tandem multi-junction solar cells. As a result, this system is also tolerant to solar spectrum variation and fill-factor degradation of constitutive solar cells.« less

  6. Outdoor measurements of a photovoltaic system using diffractive spectrum-splitting and concentration

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mohammad, N.; Schulz, M.; Wang, P.

    In a single-bandgap absorber, photons having energy less than the bandgap are not absorbed, while those having energy larger than the bandgap lose the excess energy via thermalization. We present outdoor measurements of a photovoltaic system that overcomes these losses via spectrum splitting and concentration using a planar diffractive optic. The system was comprised of the diffractive optic coupled with GaInP and CIGS solar cells. The optic provides a geometric concentration of 3X for each solar cell. It is easily fabricated by single-step grayscale lithography and it is ultra-thin with a maximum thickness of only 2.5μm. Electrical measurements under directmore » sunlight demonstrated an increase of ~25% in total output power compared to the reference case without spectrum splitting and concentration. Since different bandgaps are in the same plane, the proposed photovoltaic system successfully circumvents the lattice-matching and current-matching issues in conventional tandem multi-junction solar cells. As a result, this system is also tolerant to solar spectrum variation and fill-factor degradation of constitutive solar cells.« less

  7. Polarized micro-cavity organic light-emitting devices.

    PubMed

    Park, Byoungchoo; Kim, Mina; Park, Chan Hyuk

    2009-04-27

    We present the results of a study of light emissions from a polarized micro-cavity Organic Light-Emitting Device (OLED), which consisted of a flexible, anisotropic one-dimensional (1-D) photonic crystal (PC) film substrate. It is shown that luminous Electroluminescent (EL) emissions from the polarized micro-cavity OLED were produced at relatively low operating voltages. It was also found that the peak wavelengths of the emitted EL light corresponded to the two split eigen modes of the high-energy band edges of the anisotropic PC film, with a strong dependence on the polarization state of the emitting light. For polarization along the ordinary axis of the anisotropic PC film, the optical split micro-cavity modes occurred at the longer high-energy photonic band gap (PBG) edge, while for polarization along the extraordinary axis, the split micro-cavity modes occurred at the shorter high-energy PBG edge, with narrow bandwidths. We demonstrated that the polarization and emission mode of the micro-cavity OLED may be selected by choosing the appropriate optical axis of the anisotropic 1-D PC film.

  8. Spin-splitting calculation for zincblende semiconductors using an atomic bond-orbital model.

    PubMed

    Kao, Hsiu-Fen; Lo, Ikai; Chiang, Jih-Chen; Chen, Chun-Nan; Wang, Wan-Tsang; Hsu, Yu-Chi; Ren, Chung-Yuan; Lee, Meng-En; Wu, Chieh-Lung; Gau, Ming-Hong

    2012-10-17

    We develop a 16-band atomic bond-orbital model (16ABOM) to compute the spin splitting induced by bulk inversion asymmetry in zincblende materials. This model is derived from the linear combination of atomic-orbital (LCAO) scheme such that the characteristics of the real atomic orbitals can be preserved to calculate the spin splitting. The Hamiltonian of 16ABOM is based on a similarity transformation performed on the nearest-neighbor LCAO Hamiltonian with a second-order Taylor expansion k at the Γ point. The spin-splitting energies in bulk zincblende semiconductors, GaAs and InSb, are calculated, and the results agree with the LCAO and first-principles calculations. However, we find that the spin-orbit coupling between bonding and antibonding p-like states, evaluated by the 16ABOM, dominates the spin splitting of the lowest conduction bands in the zincblende materials.

  9. Low light adaptation: energy transfer processes in different types of light harvesting complexes from Rhodopseudomonas palustris.

    PubMed

    Moulisová, Vladimíra; Luer, Larry; Hoseinkhani, Sajjad; Brotosudarmo, Tatas H P; Collins, Aaron M; Lanzani, Guglielmo; Blankenship, Robert E; Cogdell, Richard J

    2009-12-02

    Energy transfer processes in photosynthetic light harvesting 2 (LH2) complexes isolated from purple bacterium Rhodopseudomonas palustris grown at different light intensities were studied by ground state and transient absorption spectroscopy. The decomposition of ground state absorption spectra shows contributions from B800 and B850 bacteriochlorophyll (BChl) a rings, the latter component splitting into a low energy and a high energy band in samples grown under low light (LL) conditions. A spectral analysis reveals strong inhomogeneity of the B850 excitons in the LL samples that is well reproduced by an exponential-type distribution. Transient spectra show a bleach of both the low energy and high energy bands, together with the respective blue-shifted exciton-to-biexciton transitions. The different spectral evolutions were analyzed by a global fitting procedure. Energy transfer from B800 to B850 occurs in a mono-exponential process and the rate of this process is only slightly reduced in LL compared to high light samples. In LL samples, spectral relaxation of the B850 exciton follows strongly nonexponential kinetics that can be described by a reduction of the bleach of the high energy excitonic component and a red-shift of the low energetic one. We explain these spectral changes by picosecond exciton relaxation caused by a small coupling parameter of the excitonic splitting of the BChl a molecules to the surrounding bath. The splitting of exciton energy into two excitonic bands in LL complex is most probably caused by heterogenous composition of LH2 apoproteins that gives some of the BChls in the B850 ring B820-like site energies, and causes a disorder in LH2 structure.

  10. Photoelectrochemical water splitting in separate oxygen and hydrogen cells

    NASA Astrophysics Data System (ADS)

    Landman, Avigail; Dotan, Hen; Shter, Gennady E.; Wullenkord, Michael; Houaijia, Anis; Maljusch, Artjom; Grader, Gideon S.; Rothschild, Avner

    2017-06-01

    Solar water splitting provides a promising path for sustainable hydrogen production and solar energy storage. One of the greatest challenges towards large-scale utilization of this technology is reducing the hydrogen production cost. The conventional electrolyser architecture, where hydrogen and oxygen are co-produced in the same cell, gives rise to critical challenges in photoelectrochemical water splitting cells that directly convert solar energy and water to hydrogen. Here we overcome these challenges by separating the hydrogen and oxygen cells. The ion exchange in our cells is mediated by auxiliary electrodes, and the cells are connected to each other only by metal wires, enabling centralized hydrogen production. We demonstrate hydrogen generation in separate cells with solar-to-hydrogen conversion efficiency of 7.5%, which can readily surpass 10% using standard commercial components. A basic cost comparison shows that our approach is competitive with conventional photoelectrochemical systems, enabling safe and potentially affordable solar hydrogen production.

  11. Materials-Related Aspects of Thermochemical Water and Carbon Dioxide Splitting: A Review

    PubMed Central

    Roeb, Martin; Neises, Martina; Monnerie, Nathalie; Call, Friedemann; Simon, Heike; Sattler, Christian; Schmücker, Martin; Pitz-Paal, Robert

    2012-01-01

    Thermochemical multistep water- and CO2-splitting processes are promising options to face future energy problems. Particularly, the possible incorporation of solar power makes these processes sustainable and environmentally attractive since only water, CO2 and solar power are used; the concentrated solar energy is converted into storable and transportable fuels. One of the major barriers to technological success is the identification of suitable active materials like catalysts and redox materials exhibiting satisfactory durability, reactivity and efficiencies. Moreover, materials play an important role in the construction of key components and for the implementation in commercial solar plants. The most promising thermochemical water- and CO2-splitting processes are being described and discussed with respect to further development and future potential. The main materials-related challenges of those processes are being analyzed. Technical approaches and development progress in terms of solving them are addressed and assessed in this review.

  12. Strain Measurements within Fibre Boards. Part II: Strain Concentrations at the Crack Tip of MDF Specimens Tested by the Wedge Splitting Method

    PubMed Central

    Sinn, Gerhard; Müller, Ulrich; Konnerth, Johannes; Rathke, Jörn

    2012-01-01

    This is the second part of an article series where the mechanical and fracture mechanical properties of medium density fiberboard (MDF) were studied. While the first part of the series focused on internal bond strength and density profiles, this article discusses the fracture mechanical properties of the core layer. Fracture properties were studied with a wedge splitting setup. The critical stress intensity factors as well as the specific fracture energies were determined. Critical stress intensity factors were calculated from maximum splitting force and two-dimensional isotropic finite elements simulations of the specimen geometry. Size and shape of micro crack zone were measured with electronic laser speckle interferometry. The process zone length was approx. 5 mm. The specific fracture energy was determined to be 45.2 ± 14.4 J/m2 and the critical stress intensity factor was 0.11 ± 0.02 MPa.

  13. SU-G-TeP2-11: Initial Evaluation of a Novel Split-Filter Dual-Energy CT for Use in Radiation Oncology

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Miller, J; Huang, J; Szczykutowicz, T

    2016-06-15

    Purpose: To perform an initial evaluation of a novel split-filter dual-energy CT (DECT) system with the goal of understanding the clinical utility and limitations of the system for radiation therapy. Methods: Several phantoms were imaged using the split-filter DECT technique on the Siemens Edge CT scanner using a range of clinically-relevant doses. The optimum-contrast reconstruction, the mixed reconstruction, and the monoenergetic reconstructions (ranging from 40 keV to 190 keV) were evaluated. Each image was analyzed for CT number accuracy, uniformity, noise, low-contrast visibility (LCV), spatial resolution and geometric distortion. For comparison purposes, all parameters were evaluated on 120 kVp single-energymore » CT (SECT) scans used for treatment planning, as well as, a sequential-scan DECT technique for corresponding doses. Results: For all DECT reconstructions no observable geometric distortion was found. Both the optimal-contrast and mixed images demonstrated slight improvements in LCV and noise when compared to the SECT, and slight reductions in CT number accuracy and spatial resolution. The CT numbers trended as expected for the monoenergetic reconstructions, with CT number accuracy within 50 HU for materials of density <2 g/cm3. Spatial resolution increased with energy, and for monoenergetic reconstructions >70 keV the spatial resolution exceeded that of the SECT. The noise in the monoenergetic reconstructions increased with decreasing energy. Thus, the image uniformity, signal-to-noise ratio and LCV were diminished at lower energies (70 keV). Applying iterative reconstruction techniques to the low-energy images reduced noise and improved LCV. The signal-to-noise ratio was stable for energies >100 keV. Conclusion: The initial commissioning of the novel split-filter DECT technology demonstrated favorable results for clinical implementation. The mixed reconstruction showed potential as a replacement for the treatment planning SECT. The image parameters for the monoenergetic reconstructions varied appropriately with energy. This work provides an initial understanding of the limitations and potential applications for monoenergetic imaging.« less

  14. Excitation energies of particle-hole states in {sup 208}Pb and the surface delta interaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Heusler, A., E-mail: A.Heusler@mpi-hd.mpg.de; Jolos, R. V., E-mail: Jolos@theor.jinr.ru; Brentano, P. von, E-mail: Brentano@ikp.uni-koeln.de

    2013-07-15

    The schematic shell model without residual interaction (SSM) assumes the same excitation energy for all spins in each particle-hole configuration multiplet. In {sup 208}Pb, more than forty states are known to contain almost the full strength of a single particle-hole configuration. The experimental excitation energy for a state with a certain spin differs from the energy predicted by the SSM by -0.2 to +0.6 MeV. The multiplet splitting is calculated with the surface delta interaction; it corresponds to the diagonal matrix element of the residual interaction in the SSM. For states containing more than 90% strength of a certain configurationmore » and for the centroid of several completely observed configurations, the calculated multiplet splitting often approximates the experimental excitation energy within 30 keV. The strong mixing within some pairs of states containing the full strengths of two configurations is explained.« less

  15. Element distributions after binary fission of /sup 44/Ti

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pl-dash-baraneta, R.; Belery, P.; Brzychczyk, J.

    1986-08-01

    Inclusive and coincidence measurements have been performed to study symmetric fragmentation of /sup 44/Ti binary decay from the /sup 32/S+/sup 12/C reaction at 280 MeV incident energy. Element distributions after binary decay were measured. Angular distributions and fragment correlations are presented. Total c.m. kinetic energy for the symmetric products is extracted from our data and from Monte-Carlo model calculations including Q-italic-value fluctuations. This result was compared to liquid drop model calculations and standard fission systematics. Comparison between the experimental value of the total kinetic energy and the rotating liquid-drop model predictions locates the angular momentum window for symmetric splitting ofmore » /sup 44/Ti between 33h-dash-bar and 38h-dash-bar. It also showed that 50% of the corresponding rotational energy contributes to the total kinetic energy values. The dominant reaction mechanism was found to be symmetric splitting followed by evaporation.« less

  16. Weak intramolecular interaction effects on the torsional spectra of ethylene glycol, an astrophysical species

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Boussessi, R., E-mail: rahma.boussesi@iem.cfmac.csic.es; Laboratoire de Spectroscopie Atomique, Moléculaire et Applications-LSAMA LR01ES09, Faculté des sciences de Tunis, Université de Tunis El Manar, 2092 Tunis; Senent, M. L., E-mail: ml.senent@csic.es

    2016-04-28

    An elaborate variational procedure of reduced dimensionality based on explicitly correlated coupled clusters calculations is applied to understand the far infrared spectrum of ethylene-glycol, an astrophysical species. This molecule can be classified in the double molecular symmetry group G{sub 8} and displays nine stable conformers, gauche and trans. In the gauche region, the effect of the potential energy surface anisotropy due to the formation of intramolecular hydrogen bonds is relevant. For the primary conformer, stabilized by a hydrogen bond, the ground vibrational state rotational constants are computed to be A{sub 0} = 15 369.57 MHz, B{sub 0} = 5579.87 MHz, andmore » C{sub 0} = 4610.02 MHz corresponding to differences of 6.3 MHz, 7.2 MHz, and 3.5 MHz from the experimental parameters. Ethylene glycol displays very low torsional energy levels whose classification is not straightforward and requires a detailed analysis of the torsional wavefunctions. Tunneling splittings are significant and unpredictable due to the anisotropy of the potential energy surface PES. The ground vibrational state splits into 16 sublevels separated ∼142 cm{sup −1}. The splitting of the “G1 sublevels” was calculated to be ∼0.26 cm{sup −1} in very good agreement with the experimental data (0.2 cm{sup −1} = 6.95 MHz). Transitions corresponding to the three internal rotation modes allow assignment of previously observed Q branches. Band patterns, calculated between 362.3 cm{sup −1} and 375.2 cm{sup −1}, 504 cm{sup −1} and 517 cm{sup −1}, and 223.3 cm{sup −1} and 224.1 cm{sup −1}, that correspond to the tunnelling components of the v{sub 21} fundamental (v{sub 21} = OH-torsional mode), are assigned to the prominent experimental Q branches.« less

  17. A hole inversion layer at the BiVO4/Bi4V2O11 interface produces a high tunable photovoltage for water splitting

    NASA Astrophysics Data System (ADS)

    Dos Santos, Wayler S.; Rodriguez, Mariandry; Afonso, André S.; Mesquita, João P.; Nascimento, Lucas L.; Patrocínio, Antônio O. T.; Silva, Adilson C.; Oliveira, Luiz C. A.; Fabris, José D.; Pereira, Márcio C.

    2016-08-01

    The conversion of solar energy into hydrogen fuel by splitting water into photoelectrochemical cells (PEC) is an appealing strategy to store energy and minimize the extensive use of fossil fuels. The key requirement for efficient water splitting is producing a large band bending (photovoltage) at the semiconductor to improve the separation of the photogenerated charge carriers. Therefore, an attractive method consists in creating internal electrical fields inside the PEC to render more favorable band bending for water splitting. Coupling ferroelectric materials exhibiting spontaneous polarization with visible light photoactive semiconductors can be a likely approach to getting higher photovoltage outputs. The spontaneous electric polarization tends to promote the desirable separation of photogenerated electron- hole pairs and can produce photovoltages higher than that obtained from a conventional p-n heterojunction. Herein, we demonstrate that a hole inversion layer induced by a ferroelectric Bi4V2O11 perovskite at the n-type BiVO4 interface creates a virtual p-n junction with high photovoltage, which is suitable for water splitting. The photovoltage output can be boosted by changing the polarization by doping the ferroelectric material with tungsten in order to produce the relatively large photovoltage of 1.39 V, decreasing the surface recombination and enhancing the photocurrent as much as 180%.

  18. A hole inversion layer at the BiVO4/Bi4V2O11 interface produces a high tunable photovoltage for water splitting

    PubMed Central

    dos Santos, Wayler S.; Rodriguez, Mariandry; Afonso, André S.; Mesquita, João P.; Nascimento, Lucas L.; Patrocínio, Antônio O. T.; Silva, Adilson C.; Oliveira, Luiz C. A.; Fabris, José D.; Pereira, Márcio C.

    2016-01-01

    The conversion of solar energy into hydrogen fuel by splitting water into photoelectrochemical cells (PEC) is an appealing strategy to store energy and minimize the extensive use of fossil fuels. The key requirement for efficient water splitting is producing a large band bending (photovoltage) at the semiconductor to improve the separation of the photogenerated charge carriers. Therefore, an attractive method consists in creating internal electrical fields inside the PEC to render more favorable band bending for water splitting. Coupling ferroelectric materials exhibiting spontaneous polarization with visible light photoactive semiconductors can be a likely approach to getting higher photovoltage outputs. The spontaneous electric polarization tends to promote the desirable separation of photogenerated electron- hole pairs and can produce photovoltages higher than that obtained from a conventional p-n heterojunction. Herein, we demonstrate that a hole inversion layer induced by a ferroelectric Bi4V2O11 perovskite at the n-type BiVO4 interface creates a virtual p-n junction with high photovoltage, which is suitable for water splitting. The photovoltage output can be boosted by changing the polarization by doping the ferroelectric material with tungsten in order to produce the relatively large photovoltage of 1.39 V, decreasing the surface recombination and enhancing the photocurrent as much as 180%. PMID:27503274

  19. Splitting efficiency and interference effects in a Cooper pair splitter based on a triple quantum dot with ferromagnetic contacts

    NASA Astrophysics Data System (ADS)

    Bocian, Kacper; Rudziński, Wojciech; Weymann, Ireneusz

    2018-05-01

    We theoretically study the spin-resolved subgap transport properties of a Cooper pair splitter based on a triple quantum dot attached to superconducting and ferromagnetic leads. Using the Keldysh Green's function formalism, we analyze the dependence of the Andreev conductance, Cooper pair splitting efficiency, and tunnel magnetoresistance on the gate and bias voltages applied to the system. We show that the system's transport properties are strongly affected by spin dependence of tunneling processes and quantum interference between different local and nonlocal Andreev reflections. We also study the effects of finite hopping between the side quantum dots on the Andreev current. This allows for identifying the optimal conditions for enhancing the Cooper pair splitting efficiency of the device. We find that the splitting efficiency exhibits a nonmonotonic dependence on the degree of spin polarization of the leads and the magnitude and type of hopping between the dots. An almost perfect splitting efficiency is predicted in the nonlinear response regime when the energies of the side quantum dots are tuned to the energies of the corresponding Andreev bound states. In addition, we analyzed features of the tunnel magnetoresistance (TMR) for a wide range of the gate and bias voltages, as well as for different model parameters, finding the corresponding sign changes of the TMR in certain transport regimes. The mechanisms leading to these effects are thoroughly discussed.

  20. Transition from an optical precursor in coupled-resonator-induced transparency to coherent energy exchange in Autler-Townes splitting

    NASA Astrophysics Data System (ADS)

    Oishi, Tohru; Suzuki, Ryuta; Talukder, Aminul I.; Tomita, Makoto

    2013-08-01

    We investigated the transient responses of coupled optical resonators, after they were injected with square modulated temporal pulses. A sharp spike, attributed to the optical precursor in coupled-resonator-induced transparency, appeared when the coupling between the resonators was weak. As the coupling strength increased, the resonance spectrum developed clearly separated double dips of Autler-Townes splitting, and the precursor spike transformed into an oscillatory structure. These temporal oscillations were attributed to the coherent energy exchange between two resonators. Theoretical calculations were in good agreement with the experimental observations.

  1. Unitary limit in crossed Andreev transport

    DOE PAGES

    Sadovskyy, I. A.; Lesovik, G. B.; Vinokur, V. M.

    2015-10-08

    One of the most promising approaches for generating spin- and energy-entangled electron pairs is splitting a Cooper pair into the metal through spatially separated terminals. Utilizing hybrid systems with the energy-dependent barriers at the superconductor/normal metal (NS) interfaces, one can achieve a practically 100% efficiency outcome of entangled electrons. We investigate a minimalistic one-dimensional model comprising a superconductor and two metallic leads and derive an expression for an electron-to-hole transmission probability as a measure of splitting efficiency. We find the conditions for achieving 100% efficiency and present analytical results for the differential conductance and differential noise.

  2. Superiorization-based multi-energy CT image reconstruction

    PubMed Central

    Yang, Q; Cong, W; Wang, G

    2017-01-01

    The recently-developed superiorization approach is efficient and robust for solving various constrained optimization problems. This methodology can be applied to multi-energy CT image reconstruction with the regularization in terms of the prior rank, intensity and sparsity model (PRISM). In this paper, we propose a superiorized version of the simultaneous algebraic reconstruction technique (SART) based on the PRISM model. Then, we compare the proposed superiorized algorithm with the Split-Bregman algorithm in numerical experiments. The results show that both the Superiorized-SART and the Split-Bregman algorithms generate good results with weak noise and reduced artefacts. PMID:28983142

  3. Experimental and Computational Studies on the Design of Dyes for Water-splitting Dye-sensitized Photoelectrochemical Tandem Cells

    NASA Astrophysics Data System (ADS)

    Mendez-Hernandez, Dalvin D.

    Solar energy is a promising alternative for addressing the world's current and future energy requirements in a sustainable way. Because solar irradiation is intermittent, it is necessary to store this energy in the form of a fuel so it can be used when required. The light-driven splitting of water into oxygen and hydrogen (a useful chemical fuel) is a fascinating theoretical and experimental challenge that is worth pursuing because the advance of the knowledge that it implies and the availability of water and sunlight. Inspired by natural photosynthesis and building on previous work from our laboratory, this dissertation focuses on the development of water-splitting dye-sensitized photoelectrochemical tandem cells (WSDSPETCs). The design, synthesis, and characterization of high-potential porphyrins and metal-free phthalocyanines with phosphonic anchoring groups are reported. Photocurrents measured for WSDSPETCs made with some of these dyes co-adsorbed with molecular or colloidal catalysts on TiO2 electrodes are reported as well. To guide in the design of new molecules we have used computational quantum chemistry extensively. Linear correlations between calculated frontier molecular orbital energies and redox potentials were built and tested at multiple levels of theory (from semi-empirical methods to density functional theory). Strong correlations (with r2 values > 0.99) with very good predictive abilities (rmsd < 50 mV) were found when using density functional theory (DFT) combined with a continuum solvent model. DFT was also used to aid in the elucidation of the mechanism of the thermal relaxation observed for the charge-separated state of a molecular triad that mimics the photo-induced proton coupled electron transfer of the tyrosine-histidine redox relay in the reaction center of Photosystem II. It was found that the inclusion of explicit solvent molecules, hydrogen bonded to specific sites within the molecular triad, was essential to explain the observed thermal relaxation. These results are relevant for both advancing the knowledge about natural photosynthesis and for the future design of new molecules for WSDSPETCs.

  4. Effects of axial magnetic field on the electronic and optical properties of boron nitride nanotube

    NASA Astrophysics Data System (ADS)

    Chegel, Raad; Behzad, Somayeh

    2011-07-01

    The splitting of band structure and absorption spectrum, for boron nitride nanotubes (BNNTs) under axial magnetic field, is studied using the tight binding approximation. It is found that the band splitting ( ΔE) at the Γ point is linearly proportional to the magnetic field ( Φ/Φ0). Our results indicate that the splitting rate νii, of the two first bands nearest to the Fermi level, is a linear function of n -2 for all (n,0) zigzag BNNTs. By investigation of the dependence of band structure and absorption spectrum to the magnetic field, we found that absorption splitting is equal to band splitting and the splitting rate of band structure can be used to determine the splitting rate of the absorption spectrum.

  5. Surgery for Retrocalcaneal Bursitis: A Tendon-splitting versus a Lateral Approach

    PubMed Central

    Anderson, John A.; Suero, Eduardo; O’Loughlin, Padhraig F.

    2008-01-01

    For patients with refractory retrocalcaneal bursitis (Haglund’s syndrome), the most effective surgical approach has not been defined. We asked whether patients undergoing the tendon-splitting approach and the lateral approach would have comparably effective relief of pain for both types of calcaneal ostectomies. We retrospectively reviewed 30 patients (31 feet) who underwent the tendon-splitting approach and compared their results with 32 previous patients (35 feet) who had a lateral incision. Minimum followup was 12 months (mean, 16 months; range, 12–23 months) for the tendon-splitting group and 15 months (mean, 51 months; range, 15–109 months) for the lateral group. The mean American Orthopaedic Foot and Ankle Society score improved from 43 points preoperatively to 81 points (range, 8–100 points) postoperatively in the tendon-splitting group and from 54 points to 86 points (range, 55–100 points) in the lateral group. The mean physical component score of the Short Form-36, version 2, at followup was 52 (range, 22–61) in the tendon-splitting group and 49 (range, 34–63) in the lateral group. The median return to normal function was 4.1 months (range, 3–13 months) in the tendon-splitting group and 6.4 months (range, 4–20 months) in the lateral group. Both approaches to calcaneal ostectomy provided symptomatic pain relief. However, patients in the tendon-splitting group returned to normal function quicker than patients in the lateral group. Level of Evidence: Level III, retrospective comparative study. See the Guidelines for Authors for a complete description of levels of evidence. PMID:18465183

  6. Retrofitting a 1960s Split-Level, Cold-Climate Home

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Puttagunta, Srikanth

    2015-07-13

    National programs such as Home Performance with ENERGY STAR® and numerous other utility air-sealing programs have made homeowners aware of the benefits of energy-efficiency retrofits. Yet these programs tend to focus only on the low-hanging fruit: they recommend air sealing the thermal envelope and ductwork where accessible, switching to efficient lighting and low-flow fixtures, and improving the efficiency of mechanical systems (though insufficient funds or lack of knowledge to implement these improvements commonly prevent the implementation of these higher cost upgrades). At the other end of the spectrum, various utilities across the country are encouraging deep energy retrofit programs. Althoughmore » deep energy retrofits typically seek 50% energy savings, they are often quite costly and are most applicable to gut-rehab projects. A significant potential for lowering energy use in existing homes lies between the lowhanging fruit and deep energy retrofit approaches—retrofits that save approximately 30% in energy compared to the pre-retrofit conditions. The energy-efficiency measures need to be nonintrusive so the retrofit projects can be accomplished in occupied homes.« less

  7. Quadratic String Method for Locating Instantons in Tunneling Splitting Calculations.

    PubMed

    Cvitaš, Marko T

    2018-03-13

    The ring-polymer instanton (RPI) method is an efficient technique for calculating approximate tunneling splittings in high-dimensional molecular systems. In the RPI method, tunneling splitting is evaluated from the properties of the minimum action path (MAP) connecting the symmetric wells, whereby the extensive sampling of the full potential energy surface of the exact quantum-dynamics methods is avoided. Nevertheless, the search for the MAP is usually the most time-consuming step in the standard numerical procedures. Recently, nudged elastic band (NEB) and string methods, originaly developed for locating minimum energy paths (MEPs), were adapted for the purpose of MAP finding with great efficiency gains [ J. Chem. Theory Comput. 2016 , 12 , 787 ]. In this work, we develop a new quadratic string method for locating instantons. The Euclidean action is minimized by propagating the initial guess (a path connecting two wells) over the quadratic potential energy surface approximated by means of updated Hessians. This allows the algorithm to take many minimization steps between the potential/gradient calls with further reductions in the computational effort, exploiting the smoothness of potential energy surface. The approach is general, as it uses Cartesian coordinates, and widely applicable, with computational effort of finding the instanton usually lower than that of determining the MEP. It can be combined with expensive potential energy surfaces or on-the-fly electronic-structure methods to explore a wide variety of molecular systems.

  8. Landau-level spectroscopy of massive Dirac fermions in single-crystalline ZrTe5 thin flakes

    NASA Astrophysics Data System (ADS)

    Jiang, Y.; Dun, Z. L.; Zhou, H. D.; Lu, Z.; Chen, K.-W.; Moon, S.; Besara, T.; Siegrist, T. M.; Baumbach, R. E.; Smirnov, D.; Jiang, Z.

    2017-07-01

    We report infrared magnetospectroscopy studies on thin crystals of an emerging Dirac material ZrTe5 near the intrinsic limit. The observed structure of the Landau-level transitions and zero-field infrared absorption indicate a two-dimensional Dirac-like electronic structure, similar to that in graphene but with a small relativistic mass corresponding to a 9.4-meV energy gap. Measurements with circularly polarized light reveal a significant electron-hole asymmetry, which leads to splitting of the Landau-level transitions at high magnetic fields. Our model, based on the Bernevig-Hughes-Zhang effective Hamiltonian, quantitatively explains all observed transitions, determining the values of the Fermi velocity, Dirac mass (or gap), electron-hole asymmetry, and electron and hole g factors.

  9. Near-degeneracy in Excited Vibrational States of 207PbF

    NASA Astrophysics Data System (ADS)

    Mawhorter, Richard; Nguyen, Alexander; Kim, Yongrak; Biekert, Andreas; Sears, Trevor; Grabow, Jens-Uwe; Kudashov, A. D.; Skripnikov, L. V.; Titov, A. V.; Petrov, A. N.

    2017-04-01

    High-resolution Fourier transform microwave (FTMW) spectroscopy studies of 207PbF have demonstrated the near-degeneracy of two levels of opposite parity. These have attracted attention for the study of parity violation effects and the variation of fundamental constants using 207PbF. Further theoretical work has improved our detailed understanding of both 207PbF and 208PbF, and furthermore recently indicated that the finely split +/- parity levels grow monotonically closer for higher vibrational states. Our experimental results for v = 0-3 confirm this, and are in excellent agreement with our extended theoretical calculations up to v = 4; both will be presented. TJS acknowledges support from Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, supported by its Division of Chemical Sciences, Geosciences and Biosciences within the Office of Basic Energy Sciences., as do RM, AB, YK, & AN from Pomona College & J-UG from the Deutsche Forschungsgemeinschaft (DFG).

  10. Quadrupole splittings in the near-infrared spectrum of 14NH 3

    DOE PAGES

    Twagirayezu, Sylvestre; Hall, Gregory E.; Sears, Trevor J.

    2016-10-13

    Sub-Doppler, saturation dip, spectra of lines in the v 1 + v 3, v 1 + 2v 4 and v 3 + 2v 4 bands of 14NH 3 have been measured by frequency comb-referenced diode laser absorption spectroscopy. The observed spectral line widths are dominated by transit time broadening, and show resolved or partially-resolved hyperfine splittings that are primarily determined by the 14N quadrupole coupling. Modeling of the observed line shapes based on the known hyperfine level structure of the ground state of the molecule shows that, in nearly all cases, the excited state level has hyperfine splittings similar tomore » the same rotational level in the ground state. The data provide accurate frequencies for the line positions and easily separate lines overlapped in Doppler-limited spectra. The observed hyperfine splittings can be used to make and confirm rotational assignments and ground state combination differences obtained from the measured frequencies are comparable in accuracy to those obtained from conventional microwave spectroscopy. Furthermore, several of the measured transitions do not show the quadrupole hyperfine splittings expected based on their existing rotational assignments. Either the assignments are incorrect or the upper levels involved are perturbed in a way that affects the nuclear hyperfine structure.« less

  11. An Astrobiological View on Sustainable Life

    NASA Astrophysics Data System (ADS)

    Naganuma, Takeshi

    2009-10-01

    Life on a global biosphere basis is substantiated in the form of organics and organisms, and defined as the intermediate forms (briefly expressed as CH2O) hovering between the reduced (CH4, methane) and (CO2, carbon dioxide) ends, different from the classical definition of life as a complex organization maintaining ordered structure and information. Both definitions consider sustenance of life meant as protection of life against chaos through an input of external energy. The CH2O-life connection is maintained as long as the supply of H and O lasts, which is in turn are provided by the splitting of the water molecule H2O. Water is split by electricity, as well-known from school-level experiments, and by solar radiation and geothermal heat on a global scale. In other words, the Sun's radiation and the Earth's heat as well as radioactivity split water to supply H and O for continued existence of life on the Earth. These photochemical, radiochemical and geothermal processes have influences on the evolution and current composition of the Earth's atmosphere, compared with those of Venus and Mars, and influences on the planetary climatology. This view of life may be applicable to the "search-for-life in space" and to sustainability assessment of astrobiological habitats.

  12. Fermion localization on a split brane

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chumbes, A. E. R.; Vasquez, A. E. O.; Hott, M. B.

    2011-05-15

    In this work we analyze the localization of fermions on a brane embedded in five-dimensional, warped and nonwarped, space-time. In both cases we use the same nonlinear theoretical model with a nonpolynomial potential featuring a self-interacting scalar field whose minimum energy solution is a soliton (a kink) which can be continuously deformed into a two-kink. Thus a single brane splits into two branes. The behavior of spin 1/2 fermions wave functions on the split brane depends on the coupling of fermions to the scalar field and on the geometry of the space-time.

  13. On the impact bending test technique for high-strength pipe steels

    NASA Astrophysics Data System (ADS)

    Arsenkin, A. M.; Odesskii, P. D.; Shabalov, I. P.; Likhachev, M. V.

    2015-10-01

    It is shown that the impact toughness (KCV-40 = 250 J/cm2) accepted for pipe steels of strength class K65 (σy ≥ 550 MPa) intended for large-diameter gas line pipes is ineffective to classify steels in fracture strength. The results obtained upon testing of specimens with a fatigue crack and additional sharp lateral grooves seem to be more effective. In energy consumption, a macrorelief with splits is found to be intermediate between ductile fracture and crystalline brittle fracture. A split formation mechanism is considered and a scheme is proposed for split formation.

  14. The Dye Sensitized Photoelectrosynthesis Cell (DSPEC) for Solar Water Splitting and CO2 Reduction

    NASA Astrophysics Data System (ADS)

    Meyer, Thomas; Alibabaei, Leila; Sherman, Benjamin; Sheridan, Matthew; Ashford, Dennis; Lapides, Alex; Brennaman, Kyle; Nayak, Animesh; Roy, Subhangi; Wee, Kyung-Ryang; Gish, Melissa; Meyer, Jerry; Papanikolas, John

    The dye-sensitized photoelectrosynthesis cell (DSPEC) integrates molecular level light absorption and catalysis with the bandgap properties of stable oxide materials such as TiO2 and NiO. Excitation of surface-bound chromophores leads to excited state formation and rapid electron or hole injection into the conduction or valence bands of n or p-type oxides. Addition of thin layers of TiO2 or NiO on the surfaces of mesoscopic, nanoparticle films of semiconductor or transparent conducting oxides to give core/shell structures provides a basis for accumulating multiple redox equivalents at catalysts for water oxidation or CO2 reduction. UNC EFRC Center for Solar Fuels, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001011.

  15. Magnetization and heat-capacity measurements on Zn1-xCrxTe

    NASA Astrophysics Data System (ADS)

    Pekarek, T. M.; Luning, J. E.; Miotkowski, I.; Crooker, B. C.

    1994-12-01

    We have taken magnetization and calorimetric measurements on Zn1-xCrxTe (x=0.003). The heat-capacity measurements show a Schottky peak indicating an energy-level splitting of 3.1 K between the ground and first excited states. Above 1.5 K we observe additional heat capacity, which indicates the presence of additional low-energy vibronic excitations. The magnetization data reveal a small anisotropy (~7%) with the (111) direction giving the largest value. The magnetization data were fit with a model including a static Jahn-Teller distortion proposed previously in these materials [J. T. Vallin, G. A. Slack, S. Roberts, and A. E. Hughes, Phys. Rev. B 2, 4313 (1970)]. Reasonable agreement was found with the data for a spin-orbit parameter of -59 cm-1 and a Jahn-Teller energy of 320 cm-1.

  16. Two-dimensional carbon-based nanocomposites for photocatalytic energy generation and environmental remediation applications

    PubMed Central

    Kumar, Suneel; Kumar, Ashish; Bahuguna, Ashish; Sharma, Vipul

    2017-01-01

    In the pursuit towards the use of sunlight as a sustainable source for energy generation and environmental remediation, photocatalytic water splitting and photocatalytic pollutant degradation have recently gained significant importance. Research in this field is aimed at solving the global energy crisis and environmental issues in an ecologically-friendly way by using two of the most abundant natural resources, namely sunlight and water. Over the past few years, carbon-based nanocomposites, particularly graphene and graphitic carbon nitride, have attracted much attention as interesting materials in this field. Due to their unique chemical and physical properties, carbon-based nanocomposites have made a substantial contribution towards the generation of clean, renewable and viable forms of energy from light-based water splitting and pollutant removal. This review article provides a comprehensive overview of the recent research progress in the field of energy generation and environmental remediation using two-dimensional carbon-based nanocomposites. It begins with a brief introduction to the field, basic principles of photocatalytic water splitting for energy generation and environmental remediation, followed by the properties of carbon-based nanocomposites. Then, the development of various graphene-based nanocomposites for the above-mentioned applications is presented, wherein graphene plays different roles, including electron acceptor/transporter, cocatalyst, photocatalyst and photosensitizer. Subsequently, the development of different graphitic carbon nitride-based nanocomposites as photocatalysts for energy and environmental applications is discussed in detail. This review concludes by highlighting the advantages and challenges involved in the use of two-dimensional carbon-based nanocomposites for photocatalysis. Finally, the future perspectives of research in this field are also briefly mentioned. PMID:28884063

  17. Two-dimensional carbon-based nanocomposites for photocatalytic energy generation and environmental remediation applications.

    PubMed

    Kumar, Suneel; Kumar, Ashish; Bahuguna, Ashish; Sharma, Vipul; Krishnan, Venkata

    2017-01-01

    In the pursuit towards the use of sunlight as a sustainable source for energy generation and environmental remediation, photocatalytic water splitting and photocatalytic pollutant degradation have recently gained significant importance. Research in this field is aimed at solving the global energy crisis and environmental issues in an ecologically-friendly way by using two of the most abundant natural resources, namely sunlight and water. Over the past few years, carbon-based nanocomposites, particularly graphene and graphitic carbon nitride, have attracted much attention as interesting materials in this field. Due to their unique chemical and physical properties, carbon-based nanocomposites have made a substantial contribution towards the generation of clean, renewable and viable forms of energy from light-based water splitting and pollutant removal. This review article provides a comprehensive overview of the recent research progress in the field of energy generation and environmental remediation using two-dimensional carbon-based nanocomposites. It begins with a brief introduction to the field, basic principles of photocatalytic water splitting for energy generation and environmental remediation, followed by the properties of carbon-based nanocomposites. Then, the development of various graphene-based nanocomposites for the above-mentioned applications is presented, wherein graphene plays different roles, including electron acceptor/transporter, cocatalyst, photocatalyst and photosensitizer. Subsequently, the development of different graphitic carbon nitride-based nanocomposites as photocatalysts for energy and environmental applications is discussed in detail. This review concludes by highlighting the advantages and challenges involved in the use of two-dimensional carbon-based nanocomposites for photocatalysis. Finally, the future perspectives of research in this field are also briefly mentioned.

  18. Design of a factorial experiment with randomization restrictions to assess medical device performance on vascular tissue.

    PubMed

    Diestelkamp, Wiebke S; Krane, Carissa M; Pinnell, Margaret F

    2011-05-20

    Energy-based surgical scalpels are designed to efficiently transect and seal blood vessels using thermal energy to promote protein denaturation and coagulation. Assessment and design improvement of ultrasonic scalpel performance relies on both in vivo and ex vivo testing. The objective of this work was to design and implement a robust, experimental test matrix with randomization restrictions and predictive statistical power, which allowed for identification of those experimental variables that may affect the quality of the seal obtained ex vivo. The design of the experiment included three factors: temperature (two levels); the type of solution used to perfuse the artery during transection (three types); and artery type (two types) resulting in a total of twelve possible treatment combinations. Burst pressures of porcine carotid and renal arteries sealed ex vivo were assigned as the response variable. The experimental test matrix was designed and carried out as a split-plot experiment in order to assess the contributions of several variables and their interactions while accounting for randomization restrictions present in the experimental setup. The statistical software package SAS was utilized and PROC MIXED was used to account for the randomization restrictions in the split-plot design. The combination of temperature, solution, and vessel type had a statistically significant impact on seal quality. The design and implementation of a split-plot experimental test-matrix provided a mechanism for addressing the existing technical randomization restrictions of ex vivo ultrasonic scalpel performance testing, while preserving the ability to examine the potential effects of independent factors or variables. This method for generating the experimental design and the statistical analyses of the resulting data are adaptable to a wide variety of experimental problems involving large-scale tissue-based studies of medical or experimental device efficacy and performance.

  19. Stability and magnetic properties of SnSe monolayer doped by transition metal atom (Mn, Fe, and Co): a first-principles study

    NASA Astrophysics Data System (ADS)

    Tang, Chao; Li, Qinwen; Zhang, Chunxiao; He, Chaoyu; Li, Jin; Ouyang, Tao; Li, Hongxing; Zhong, Jianxin

    2018-06-01

    Two dimensional (2D) tin selenium (SnSe) is an intriguing material with desired thermal and electric properties in nanoelectronics. In this paper, we carry on a density functional theory study on the stability and dilute magnetism of the 3d TM (Mn, Fe, and Co) doped 2D SnSe. Both the adsorption and substitution are in consideration here. We find that all the defects are electrically active and the cation substitutional doping (TM@Sn) is energetically favorable. The TM@Sn prefers to act as accepters and exhibits high-spin state with nonzero magnetic moment. The magnetic moment is mainly contributed by the spin-polarized charge density of the TM impurities. The magnetism is determined by the arrangement of the TM-3d orbitals, which is the result of the crystal field splitting and spin exchange splitting under specific symmetry. The magnetic and electronic properties of the TM@Sn are effectively modulated by external electric field (Eext) and charge doping. The Eext shifts the TM impurities relative to the SnSe host and then modifies the crystal field splitting. In particular, the magnetic moment is sensitive to the Eext in the Fe@Sn because the Eext induces distinct structure transformation. Based on the formation energy, doping electrons is a viable way to modulate the magnetic moment of TM@Sn. Doping electrons shift the 3d states towards low energy level, which induces the occupation of more 3d states and then the reduction of magnetism. These results render SnSe monolayer a promising 2D material for applications in future spintronics.

  20. Rotational characterization of methyl methacrylate: Internal dynamics and structure determination

    NASA Astrophysics Data System (ADS)

    Herbers, Sven; Wachsmuth, Dennis; Obenchain, Daniel A.; Grabow, Jens-Uwe

    2018-01-01

    Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.

  1. Intervalley scattering induced by Coulomb interaction and disorder in carbon-nanotube quantum dots

    NASA Astrophysics Data System (ADS)

    Secchi, Andrea; Rontani, Massimo

    2013-09-01

    We develop a theory of intervalley Coulomb scattering in semiconducting carbon-nanotube quantum dots, taking into account the effects of curvature and chirality. Starting from the effective mass description of single-particle states, we study the two-electron system by fully including Coulomb interaction, spin-orbit coupling, and short-range disorder. We find that the energy level splittings associated with intervalley scattering are nearly independent of the chiral angle and, while smaller than those due to spin-orbit interaction, large enough to be measurable.

  2. Crystal-field analysis of U3+ ions in K2LaX5 (X=Cl, Br or I) single crystals

    NASA Astrophysics Data System (ADS)

    Karbowiak, M.; Edelstein, N.; Gajek, Z.; Drożdżyński, J.

    1998-11-01

    An analysis of low temperature absorption spectra of U3+ ions doped in K2LaX5 (X=Cl, Br or I) single crystals is reported. The energy levels of the U3+ ion in the single crystals were assigned and fitted to a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions at the Cs symmetry site. An analysis of the nephelauxetic effect and crystal-field splittings in the series of compounds is also reported.

  3. Relativistic scattered wave calculations on UF6

    NASA Technical Reports Server (NTRS)

    Case, D. A.; Yang, C. Y.

    1980-01-01

    Self-consistent Dirac-Slater multiple scattering calculations are presented for UF6. The results are compared critically to other relativistic calculations, showing that the results of all molecular orbital calculations are in qualitative agreement, as measured by energy levels, population analyses, and spin-orbit splittings. A detailed comparison is made to the relativistic X alpha(RX alpha) method of Wood and Boring, which also uses multiple scattering theory, but incorporates relativistic effects in a more approximate fashion. For the most part, the RX alpha results are in agreement with the present results.

  4. Nickel-based anodic electrocatalysts for fuel cells and water splitting

    NASA Astrophysics Data System (ADS)

    Chen, Dayi

    Our world is facing an energy crisis, so people are trying to harvest and utilize energy more efficiently. One of the promising ways to harvest energy is via solar water splitting to convert solar energy to chemical energy stored in hydrogen. Another of the options to utilize energy more efficiently is to use fuel cells as power sources instead of combustion engines. Catalysts are needed to reduce the energy barriers of the reactions happening at the electrode surfaces of the water-splitting cells and fuel cells. Nickel-based catalysts happen to be important nonprecious electrocatalysts for both of the anodic reactions in alkaline media. In alcohol fuel cells, nickel-based catalysts catalyze alcohol oxidation. In water splitting cells, they catalyze water oxidation, i.e., oxygen evolution. The two reactions occur in a similar potential range when catalyzed by nickel-based catalysts. Higher output current density, lower oxidation potential, and complete substrate oxidation are preferred for the anode in the applications. In this dissertation, the catalytic properties of nickel-based electrocatalysts in alkaline medium for fuel oxidation and oxygen evolution are explored. By changing the nickel precursor solubility, nickel complex nanoparticles with tunable sizes on electrode surfaces were synthesized. Higher methanol oxidation current density is achieved with smaller nickel complex nanoparticles. DNA aggregates were used as a polymer scaffold to load nickel ion centers and thus can oxidize methanol completely at a potential about 0.1 V lower than simple nickel electrodes, and the methanol oxidation pathway is changed. Nickel-based catalysts also have electrocatalytic activity towards a wide range of substrates. Experiments show that methanol, ethanol, glycerol and glucose can be deeply oxidized and carbon-carbon bonds can be broken during the oxidation. However, when comparing methanol oxidation reaction to oxygen evolution reaction catalyzed by current nickel-based catalysts, methanol oxidation suffers from high overpotential and catalyst poisoning by high concentration of substrates, so current nickel-based catalysts are more suitable to be used as oxygen evolution catalysts. A photoanode design that applies nickel oxides to a semiconductor that is incorporated with surface-plasmonic metal electrodes to do solar water oxidation with visible light is proposed.

  5. The Renner-Teller effect in HCCCl(+)(X̃(2)Π) studied by zero-kinetic energy photoelectron spectroscopy and ab initio calculations.

    PubMed

    Sun, Wei; Dai, Zuyang; Wang, Jia; Mo, Yuxiang

    2015-05-21

    The spin-vibronic energy levels of the chloroacetylene cation up to 4000 cm(-1) above the ground state have been measured using the one-photon zero-kinetic energy photoelectron spectroscopic method. The spin-vibronic energy levels have also been calculated using a diabatic model, in which the potential energy surfaces are expressed by expansions of internal coordinates, and the Hamiltonian matrix equation is solved using a variational method with harmonic basis functions. The calculated spin-vibronic energy levels are in good agreement with the experimental data. The Renner-Teller (RT) parameters describing the vibronic coupling for the H-C≡C bending mode (ε4), Cl-C≡C bending mode (ε5), the cross-mode vibronic coupling (ε45) of the two bending vibrations, and their vibrational frequencies (ω4 and ω5) have also been determined using an effective Hamiltonian matrix treatment. In comparison with the spin-orbit interaction, the RT effect in the H-C≡C bending (ε4) mode is strong, while the RT effect in the Cl-C≡C bending mode is weak. There is a strong cross-mode vibronic coupling of the two bending vibrations, which may be due to a vibronic resonance between the two bending vibrations. The spin-orbit energy splitting of the ground state has been determined for the first time and is found to be 209 ± 2 cm(-1).

  6. Emergence of the interplay between hierarchy and contact splitting in biological adhesion highlighted through a hierarchical shear lag model.

    PubMed

    Brely, Lucas; Bosia, Federico; Pugno, Nicola M

    2018-06-20

    Contact unit size reduction is a widely studied mechanism as a means to improve adhesion in natural fibrillar systems, such as those observed in beetles or geckos. However, these animals also display complex structural features in the way the contact is subdivided in a hierarchical manner. Here, we study the influence of hierarchical fibrillar architectures on the load distribution over the contact elements of the adhesive system, and the corresponding delamination behaviour. We present an analytical model to derive the load distribution in a fibrillar system loaded in shear, including hierarchical splitting of contacts, i.e. a "hierarchical shear-lag" model that generalizes the well-known shear-lag model used in mechanics. The influence on the detachment process is investigated introducing a numerical procedure that allows the derivation of the maximum delamination force as a function of the considered geometry, including statistical variability of local adhesive energy. Our study suggests that contact splitting generates improved adhesion only in the ideal case of extremely compliant contacts. In real cases, to produce efficient adhesive performance, contact splitting needs to be coupled with hierarchical architectures to counterbalance high load concentrations resulting from contact unit size reduction, generating multiple delamination fronts and helping to avoid detrimental non-uniform load distributions. We show that these results can be summarized in a generalized adhesion scaling scheme for hierarchical structures, proving the beneficial effect of multiple hierarchical levels. The model can thus be used to predict the adhesive performance of hierarchical adhesive structures, as well as the mechanical behaviour of composite materials with hierarchical reinforcements.

  7. The Double Edge Technique for Doppler lidar wind measurement

    NASA Technical Reports Server (NTRS)

    Korb, C. Laurence; Gentry, Bruce M.; Li, S. Xingfu; Flesia, Cristina; Chen, Huailin; Mathur, S.

    1998-01-01

    The edge technique utilizes the edge of a high spectral resolution filter for high accuracy wind measurement using direct detection lidar. The signal is split between an edge filter channel and a broadband energy monitor channel. The energy monitor channel is used for signal normalization. The edge measurement is made as a differential frequency measurement between the outgoing laser signal and the atmospheric backscattered return for each pulse. As a result, the measurement is insensitive to laser and edge filter frequency jitter and drift at a level less than a few parts in 10(exp 10). We will discuss the methodology of the technique in detail, present a broad range of simulation results, and provide preprints of a journal article currently in press.

  8. S2p core level spectroscopy of short chain oligothiophenes

    NASA Astrophysics Data System (ADS)

    Baseggio, O.; Toffoli, D.; Stener, M.; Fronzoni, G.; de Simone, M.; Grazioli, C.; Coreno, M.; Guarnaccio, A.; Santagata, A.; D'Auria, M.

    2017-12-01

    The Near-Edge X-ray-Absorption Fine-Structure (NEXAFS) and X-ray Photoemission Spectroscopy (XPS) of short-chain oligothiophenes (thiophene, 2,2'-bithiophene, and 2,2':5',2″-terthiophene) in the gas phase have been measured in the sulfur L2,3-edge region. The assignment of the spectral features is based on the relativistic two-component zeroth-order regular approximation time dependent density functional theory approach. The calculations allow us to estimate both the contribution of the spin-orbit splitting and of the molecular-field splitting to the sulfur binding energies and give results in good agreement with the experimental measurements. The deconvolution of the calculated S2p NEXAFS spectra into the two manifolds of excited states converging to the LIII and LII edges facilitates the attribution of the spectral structures. The main S2p NEXAFS features are preserved along the series both as concerns the energy positions and the nature of the transitions. This behaviour suggests that the electronic and geometrical environment of the sulfur atom in the three oligomers is relatively unaffected by the increasing chain length. This trend is also observed in the XPS spectra. The relatively simple structure of S2p NEXAFS spectra along the series reflects the localized nature of the virtual states involved in the core excitation process.

  9. Weak Intramolecular Interactions Effcts on the Structure and the Torsional Spectra of Ethylene Glycol, AN Astrophysical Species

    NASA Astrophysics Data System (ADS)

    Senent, Maria Luisa S.; Boussessi, Rahma

    2016-06-01

    A variational procedure of reduced dimensionality based on CCSD(T)-F12 calculations is applied to understand the far infrared spectrum of Ethylene-Glycol. This molecule can be classified in the double molecular symmetry group G8 and displays nine stable conformers, gauche and trans. In the gauche region, the effect of the potential energy surface anisotropy due to the formation of intramolecular hydrogen bonds is relevant. For the primary conformer, the ground vibrational state rotational constants are computed at 6.3 MHz, 7.2 MHz and 3.5 MHz from the experimental parameters. Ethylene glycol displays very low torsional energy levels whose classification is not straightforward. Given the anisotropy, tunneling splittings are significant and unpredictable. The ground vibrational state splits into 16 sublevels separated approximately 142 cm-1. Transitions corresponding to the three internal rotation modes allow assign previous observed Q branches. Band patterns, calculated between 362.3 cm-1 and 375.2 cm-1, between 504 cm-1 and 517 cm-1 and between 223.3 cm-1 and 224.1 cm-1, that correspond to the tunnelling components of the v21 fundamental (ν21 = OH-torsional mode), are assigned to the prominent experimental Q branches.

  10. CO2 in solid para-hydrogen: spectral splitting and the CO2···(o-H2)n clusters.

    PubMed

    Du, Jun-He; Wan, Lei; Wu, Lei; Xu, Gang; Deng, Wen-Ping; Liu, An-Wen; Chen, Yang; Hu, Shui-Ming

    2011-02-17

    Complicated high-resolution spectral structures are often observed for molecules doped in solid molecular hydrogen. The structures can result from miscellaneous effects and are often interpreted differently in references. The spectrum of the ν(3) band of CO(2) in solid para-H(2) presents a model system which exhibits rich spectral structures. With the help of the potential energy simulation of the CO(2) molecule doped in para-hydrogen matrix, and extensive experiments with different CO(2) isotopologues and different ortho-hydrogen concentrations in the matrix, the spectral features observed in p-H(2) matrix are assigned to the CO(2)···(o-H(2))(n) clusters and also to energy level splitting that is due to different alignments of the doped CO(2) molecules in the matrix. The assignments are further supported by the dynamics analysis and also by the spectrum recorded with sample codoped with O(2) which serves as catalyst transferring o-H(2) to p-H(2) in the matrix at 4 K temperature. The observed spectral features of CO(2)/pH(2) can potentially be used as an alternative readout of the temperature and orthohydrogen concentration in the solid para-hydrogen.

  11. Electroweak splitting functions and high energy showering

    NASA Astrophysics Data System (ADS)

    Chen, Junmou; Han, Tao; Tweedie, Brock

    2017-11-01

    We derive the electroweak (EW) collinear splitting functions for the Standard Model, including the massive fermions, gauge bosons and the Higgs boson. We first present the splitting functions in the limit of unbroken SU(2) L × U(1) Y and discuss their general features in the collinear and soft-collinear regimes. These are the leading contributions at a splitting scale ( k T ) far above the EW scale ( v). We then systematically incorporate EW symmetry breaking (EWSB), which leads to the emergence of additional "ultra-collinear" splitting phenomena and naive violations of the Goldstone-boson Equivalence Theorem. We suggest a particularly convenient choice of non-covariant gauge (dubbed "Goldstone Equivalence Gauge") that disentangles the effects of Goldstone bosons and gauge fields in the presence of EWSB, and allows trivial book-keeping of leading power corrections in v/ k T . We implement a comprehensive, practical EW showering scheme based on these splitting functions using a Sudakov evolution formalism. Novel features in the implementation include a complete accounting of ultra-collinear effects, matching between shower and decay, kinematic back-reaction corrections in multi-stage showers, and mixed-state evolution of neutral bosons ( γ/ Z/ h) using density-matrices. We employ the EW showering formalism to study a number of important physical processes at O (1-10 TeV) energies. They include (a) electroweak partons in the initial state as the basis for vector-boson-fusion; (b) the emergence of "weak jets" such as those initiated by transverse gauge bosons, with individual splitting probabilities as large as O (35%); (c) EW showers initiated by top quarks, including Higgs bosons in the final state; (d) the occurrence of O (1) interference effects within EW showers involving the neutral bosons; and (e) EW corrections to new physics processes, as illustrated by production of a heavy vector boson ( W ') and the subsequent showering of its decay products.

  12. Magnetic brightening and control of dark excitons in monolayer WSe2.

    PubMed

    Zhang, Xiao-Xiao; Cao, Ting; Lu, Zhengguang; Lin, Yu-Chuan; Zhang, Fan; Wang, Ying; Li, Zhiqiang; Hone, James C; Robinson, Joshua A; Smirnov, Dmitry; Louie, Steven G; Heinz, Tony F

    2017-09-01

    Monolayer transition metal dichalcogenide crystals, as direct-gap materials with strong light-matter interactions, have attracted much recent attention. Because of their spin-polarized valence bands and a predicted spin splitting at the conduction band edges, the lowest-lying excitons in WX 2 (X = S, Se) are expected to be spin-forbidden and optically dark. To date, however, there has been no direct experimental probe of these dark excitons. Here, we show how an in-plane magnetic field can brighten the dark excitons in monolayer WSe 2 and permit their properties to be observed experimentally. Precise energy levels for both the neutral and charged dark excitons are obtained and compared with ab initio calculations using the GW-BSE approach. As a result of their spin configuration, the brightened dark excitons exhibit much-increased emission and valley lifetimes. These studies directly probe the excitonic spin manifold and reveal the fine spin-splitting at the conduction band edges.

  13. EPR, optical and superposition model study of Mn2+ doped L+ glutamic acid

    NASA Astrophysics Data System (ADS)

    Kripal, Ram; Singh, Manju

    2015-12-01

    Electron paramagnetic resonance (EPR) study of Mn2+ doped L+ glutamic acid single crystal is done at room temperature. Four interstitial sites are observed and the spin Hamiltonian parameters are calculated with the help of large number of resonant lines for various angular positions of external magnetic field. The optical absorption study is also done at room temperature. The energy values for different orbital levels are calculated, and observed bands are assigned as transitions from 6A1g(s) ground state to various excited states. With the help of these assigned bands, Racah inter-electronic repulsion parameters B = 869 cm-1, C = 2080 cm-1 and cubic crystal field splitting parameter Dq = 730 cm-1 are calculated. Zero field splitting (ZFS) parameters D and E are calculated by the perturbation formulae and crystal field parameters obtained using superposition model. The calculated values of ZFS parameters are in good agreement with the experimental values obtained by EPR.

  14. Magnetic brightening and control of dark excitons in monolayer WSe 2

    DOE PAGES

    Zhang, Xiao -Xiao; Cao, Ting; Lu, Zhengguang; ...

    2017-06-26

    Monolayer transition metal dichalcogenide crystals, as direct-gap materials with strong light–matter interactions, have attracted much recent attention. Because of their spin-polarized valence bands and a predicted spin splitting at the conduction band edges, the lowest-lying excitons in WX 2 (X = S, Se) are expected to be spin-forbidden and optically dark. To date, however, there has been no direct experimental probe of these dark excitons. Here, we show how an in-plane magnetic field can brighten the dark excitons in monolayer WSe2 and permit their properties to be observed experimentally. Precise energy levels for both the neutral and charged dark excitonsmore » are obtained and compared with ab initio calculations using the GW-BSE approach. As a result of their spin configuration, the brightened dark excitons exhibit much-increased emission and valley lifetimes. Furthermore, these studies directly probe the excitonic spin manifold and reveal the fine spin-splitting at the conduction band edges.« less

  15. Use of visual CO2 feedback as a retrofit solution for improving classroom air quality.

    PubMed

    Wargocki, P; Da Silva, N A F

    2015-02-01

    Carbon dioxide (CO2 ) sensors that provide a visual indication were installed in classrooms during normal school operation. During 2-week periods, teachers and students were instructed to open the windows in response to the visual CO2 feedback in 1 week and open them, as they would normally do, without visual feedback, in the other week. In the heating season, two pairs of classrooms were monitored, one pair naturally and the other pair mechanically ventilated. In the cooling season, two pairs of naturally ventilated classrooms were monitored, one pair with split cooling in operation and the other pair with no cooling. Classrooms were matched by grade. Providing visual CO2 feedback reduced CO2 levels, as more windows were opened in this condition. This increased energy use for heating and reduced the cooling requirement in summertime. Split cooling reduced the frequency of window opening only when no visual CO2 feedback was present. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  16. Theoretical Study on the Photoelectron Spectra of Ln(COT)2-: Lanthanide Dependence of the Metal-Ligand Interaction.

    PubMed

    Nakajo, Erika; Masuda, Tomohide; Yabushita, Satoshi

    2016-12-08

    We have performed a theoretical analysis of the recently reported photoelectron (PE) spectra of the series of sandwich complex anions Ln(COT) 2 - (Ln = La-Lu, COT = 1,3,5,7-cyclooctatetraene), focusing on the Ln dependence of the vertical detachment energies. For most Ln, the π molecular orbitals, largely localized on the COT ligands, have the energy order of e 1g < e 1u < e 2g < e 2u as in the actinide analogues, reflecting the substantial orbital interaction with the Ln 5d and 5p orbitals. Thus, it would be expected that the lanthanide contraction would increase the orbital interaction so that the overlaps between the COT π and Ln atomic orbitals tend to increase across the series. However, the PE spectra and theoretical calculations were not consistent with this expectation, and the details have been clarified in this study. Furthermore, the energy level splitting patterns of the anion and neutral complexes have been studied by multireference ab initio methods, and the X peak splittings observed in the PE spectra only for the middle-range Ln complexes were found to be due to the specific interaction between the Ln 4f and ligand π orbitals of the neutral complexes in e 2u symmetry. Because the magnitude of this 4f-ligand interaction depends critically on the final state 4f electron configuration and the spin state, a significant Ln dependence in the PE spectra is explained.

  17. First-order symmetry-adapted perturbation theory for multiplet splittings.

    PubMed

    Patkowski, Konrad; Żuchowski, Piotr S; Smith, Daniel G A

    2018-04-28

    We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S 2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S 2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

  18. First-order symmetry-adapted perturbation theory for multiplet splittings

    NASA Astrophysics Data System (ADS)

    Patkowski, Konrad; Żuchowski, Piotr S.; Smith, Daniel G. A.

    2018-04-01

    We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

  19. Electronic structure and Landé g-factor of a quantum ring in the presence of spin-orbit coupling: Temperature and Zeeman effect

    NASA Astrophysics Data System (ADS)

    Zamani, A.; Setareh, F.; Azargoshasb, T.; Niknam, E.

    2017-10-01

    A wide variety of semiconductor nanostructures have been fabricated experimentally and both theoretical and experimental investigations of their features imply the great role they have in new generation technological devices. However, mathematical modeling provide a powerful means due to definitive goal of predicting the features and understanding of such structures behavior under different circumstances. Therefore, effective Hamiltonian for an electron in a quantum ring with axial symmetry in the presence of both Rashba and Dresselhaus spin-orbit interactions (SOI) is derived. Here we report our study of the electronic structure and electron g-factor in the presence of spin-orbit (SO) couplings under the influence of external magnetic field at finite temperature. This investigation shows that, when Rashba and Dresselhaus couplings are simultaneously present, the degeneracy is removed and energy levels split into two branches. Furthermore, with enhancing the applied magnetic field, separation of former degenerate levels increases and also avoided crossings (anti-crossing) in the energy spectra is detected. It is also discussed how the energy levels of the system can be adjusted with variation of temperature as well as the magnetic field and geometrical sizes.

  20. Photoexcited singlet and triplet states of a UV absorber ethylhexyl methoxycrylene.

    PubMed

    Kikuchi, Azusa; Hata, Yuki; Kumasaka, Ryo; Nanbu, Yuichi; Yagi, Mikio

    2013-01-01

    The excited states of UV absorber, ethylhexyl methoxycrylene (EHMCR) have been studied through measurements of UV absorption, fluorescence, phosphorescence and electron paramagnetic resonance (EPR) spectra in ethanol. The energy levels of the lowest excited singlet (S1) and triplet (T1) states of EHMCR were determined. The energy levels of the S1 and T1 states of EHMCR are much lower than those of photolabile 4-tert-butyl-4'-methoxydibenzoylmethane. The energy levels of the S1 and T1 states of EHMCR are lower than those of octyl methoxycinnamate. The weak phosphorescence and EPR B(min) signals were observed and the lifetime was estimated to be 93 ms. These facts suggest that the significant proportion of the S1 molecules undergoes intersystem crossing to the T1 state, and the deactivation process from the T1 state is predominantly radiationless. The photostability of EHMCR arises from the (3)ππ* character in the T1 state. The zero-field splitting (ZFS) parameter in the T1 state is D** = 0.113 cm(-1). © 2012 The Authors Photochemistry and Photobiology © 2012 The American Society of Photobiology.

  1. Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO 3 oxides

    DOE PAGES

    Montoya, Joseph H.; Doyle, Andrew D.; Nørskov, Jens K.; ...

    2018-01-19

    The reactivity of solid oxide surfaces towards adsorption of oxygen and hydrogen is a key metric for the design of new catalysts for electrochemical water splitting. Here, in this paper, we report on trends in the adsorption energy of different adsorbed intermediates derived from the oxidation and reduction of water for ternary ABO 3 oxides in the cubic perovskite structure. Our findings support a previously reported trend that rationalizes the observed lower bound in oxygen evolution (OER) overpotentials from correlations in OH* and OOH* adsorption energies. In addition, we report hydrogen adsorption energies that may be used to estimate hydrogenmore » evolution (HER) overpotentials along with potential metrics for electrochemical metastability in reducing environments. Finally, we also report and discuss trends between atom-projected density of states and adsorption energies, which may enable a design criteria from the local electronic structure of the active site.« less

  2. Spectrum splitting using multi-layer dielectric meta-surfaces for efficient solar energy harvesting

    NASA Astrophysics Data System (ADS)

    Yao, Yuhan; Liu, He; Wu, Wei

    2014-06-01

    We designed a high-efficiency dispersive mirror based on multi-layer dielectric meta-surfaces. By replacing the secondary mirror of a dome solar concentrator with this dispersive mirror, the solar concentrator can be converted into a spectrum-splitting photovoltaic system with higher energy harvesting efficiency and potentially lower cost. The meta-surfaces are consisted of high-index contrast gratings (HCG). The structures and parameters of the dispersive mirror (i.e. stacked HCG) are optimized based on finite-difference time-domain and rigorous coupled-wave analysis method. Our numerical study shows that the dispersive mirror can direct light with different wavelengths into different angles in the entire solar spectrum, maintaining very low energy loss. Our approach will not only improve the energy harvesting efficiency, but also lower the cost by using single junction cells instead of multi-layer tandem solar cells. Moreover, this approach has the minimal disruption to the existing solar concentrator infrastructures.

  3. Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO 3 oxides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Montoya, Joseph H.; Doyle, Andrew D.; Nørskov, Jens K.

    The reactivity of solid oxide surfaces towards adsorption of oxygen and hydrogen is a key metric for the design of new catalysts for electrochemical water splitting. Here, in this paper, we report on trends in the adsorption energy of different adsorbed intermediates derived from the oxidation and reduction of water for ternary ABO 3 oxides in the cubic perovskite structure. Our findings support a previously reported trend that rationalizes the observed lower bound in oxygen evolution (OER) overpotentials from correlations in OH* and OOH* adsorption energies. In addition, we report hydrogen adsorption energies that may be used to estimate hydrogenmore » evolution (HER) overpotentials along with potential metrics for electrochemical metastability in reducing environments. Finally, we also report and discuss trends between atom-projected density of states and adsorption energies, which may enable a design criteria from the local electronic structure of the active site.« less

  4. Splitting of Van Hove singularities in slightly twisted bilayer graphene

    NASA Astrophysics Data System (ADS)

    Li, Si-Yu; Liu, Ke-Qin; Yin, Long-Jing; Wang, Wen-Xiao; Yan, Wei; Yang, Xu-Qin; Yang, Jun-Kai; Liu, Haiwen; Jiang, Hua; He, Lin

    2017-10-01

    A variety of new and interesting electronic properties have been predicted in graphene monolayer doped to Van Hove singularities (VHSs) of its density of state. However, tuning the Fermi energy to reach a VHS of graphene by either gating or chemical doping is prohibitively difficult, owing to their large energy distance (˜3 eV). This difficulty can be easily overcome in twisted bilayer graphene (TBG). By introducing a small twist angle between two adjacent graphene sheets, we are able to generate two low-energy VHSs arbitrarily approaching the Fermi energy. Here, we report experimental studies of electronic properties around the VHSs of a slightly TBG through scanning tunneling microscopy measurements. The split of the VHSs is observed and the spatial symmetry breaking of electronic states around the VHSs is directly visualized. These exotic results provide motivation for further theoretical and experimental studies of graphene systems around the VHSs.

  5. Splitting of IVP bovine blastocyst affects morphology and gene expression of resulting demi-embryos during in vitro culture and in vivo elongation.

    PubMed

    Velasquez, Alejandra E; Castro, Fidel O; Veraguas, Daniel; Cox, Jose F; Lara, Evelyn; Briones, Mario; Rodriguez-Alvarez, Lleretny

    2016-02-01

    Embryo splitting might be used to increase offspring yield and for molecular analysis of embryo competence. How splitting affects developmental potential of embryos is unknown. This research aimed to study the effect of bovine blastocyst splitting on morphological and gene expression homogeneity of demi-embryos and on embryo competence during elongation. Grade I bovine blastocyst produced in vitro were split into halves and distributed in nine groups (3 × 3 setting according to age and stage before splitting; age: days 7-9; stage: early, expanded and hatched blastocysts). Homogeneity and survival rate in vitro after splitting (12 h, days 10 and 13) and the effect of splitting on embryo development at elongation after embryo transfer (day 17) were assessed morphologically and by RT-qPCR. The genes analysed were OCT4, SOX2, NANOG, CDX2, TP1, TKDP1, EOMES, and BAX. Approximately 90% of split embryos had a well conserved defined inner cell mass (ICM), 70% of the halves had similar size with no differences in gene expression 12 h after splitting. Split embryos cultured further conserved normal and comparable morphology at day 10 of development; this situation changes at day 13 when embryo morphology and gene expression differed markedly among demi-embryos. Split and non-split blastocysts were transferred to recipient cows and were recovered at day 17. Fifty per cent of non-split embryos were larger than 100 mm (33% for split embryos). OCT4, SOX2, TP1 and EOMES levels were down-regulated in elongated embryos derived from split blastocysts. In conclusion, splitting day-8 blastocysts yields homogenous demi-embryos in terms of developmental capability and gene expression, but the initiation of the filamentous stage seems to be affected by the splitting.

  6. Measurements With a Split-Fiber Probe in Complex Unsteady Flows

    NASA Technical Reports Server (NTRS)

    Lepicovsky, Jan

    2004-01-01

    A split-fiber probe was used to acquire unsteady data in a research compressor. A calibration method was devised for a split-fiber probe, and a new algorithm was developed to decompose split-fiber probe signals into velocity magnitude and direction. The algorithm is based on the minimum value of a merit function that is built over the entire range of flow velocities for which the probe was calibrated. The split-fiber probe performance and signal decomposition was first verified in a free-jet facility by comparing the data from three thermo-anemometric probes, namely a single-wire, a single-fiber, and the split-fiber probe. All three probes performed extremely well as far as the velocity magnitude was concerned. However, there are differences in the peak values of measured velocity unsteadiness in the jet shear layer. The single-wire probe indicates the highest unsteadiness level, followed closely by the split-fiber probe. The single-fiber probe indicates a noticeably lower level of velocity unsteadiness. Experiments in the NASA Low Speed Axial Compressor facility revealed similar results. The mean velocities agreed well, and differences in the velocity unsteadiness are similar to the case of a free jet. A reason for these discrepancies is in the different frequency response characteristics of probes used. It follows that the single-fiber probe has the slowest frequency response. In summary, the split-fiber probe worked reliably during the entire program. The acquired data averaged in time followed closely data acquired by conventional pneumatic probes.

  7. Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model

    NASA Astrophysics Data System (ADS)

    Wang, Yao; Huang, Edwin W.; Moritz, Brian; Devereaux, Thomas P.

    2018-06-01

    Understanding spin excitations and their connection to unconventional superconductivity have remained central issues since the discovery of cuprates. Direct measurement of the dynamical spin structure factor in the parent compounds can provide key information on important interactions relevant in the doped regime, and variations in the magnon dispersion have been linked closely to differences in crystal structure between families of cuprate compounds. Here, we elucidate the relationship between spin excitations and various controlling factors thought to be significant in high-Tc materials by systematically evaluating the dynamical spin structure factor for the three-orbital Hubbard model, revealing differences in the spin dispersion along the Brillouin zone axis and the diagonal. Generally, we find that the absolute energy scale and momentum dependence of the excitations primarily are sensitive to the effective charge-transfer energy, while changes in the on-site Coulomb interactions have little effect on the details of the dispersion. In particular, our result highlights the splitting between spin excitations along the axial and diagonal directions in the Brillouin zone. This splitting decreases with increasing charge-transfer energy and correlates with changes in the apical oxygen position, and general structural variations, for different cuprate families.

  8. Joint Transmit Power Allocation and Splitting for SWIPT Aided OFDM-IDMA in Wireless Sensor Networks

    PubMed Central

    Li, Shanshan; Zhou, Xiaotian; Wang, Cheng-Xiang; Yuan, Dongfeng; Zhang, Wensheng

    2017-01-01

    In this paper, we propose to combine Orthogonal Frequency Division Multiplexing-Interleave Division Multiple Access (OFDM-IDMA) with Simultaneous Wireless Information and Power Transfer (SWIPT), resulting in SWIPT aided OFDM-IDMA scheme for power-limited sensor networks. In the proposed system, the Receive Node (RN) applies Power Splitting (PS) to coordinate the Energy Harvesting (EH) and Information Decoding (ID) process, where the harvested energy is utilized to guarantee the iterative Multi-User Detection (MUD) of IDMA to work under sufficient number of iterations. Our objective is to minimize the total transmit power of Source Node (SN), while satisfying the requirements of both minimum harvested energy and Bit Error Rate (BER) performance from individual receive nodes. We formulate such a problem as a joint power allocation and splitting one, where the iteration number of MUD is also taken into consideration as the key parameter to affect both EH and ID constraints. To solve it, a sub-optimal algorithm is proposed to determine the power profile, PS ratio and iteration number of MUD in an iterative manner. Simulation results verify that the proposed algorithm can provide significant performance improvement. PMID:28677636

  9. Joint Transmit Power Allocation and Splitting for SWIPT Aided OFDM-IDMA in Wireless Sensor Networks.

    PubMed

    Li, Shanshan; Zhou, Xiaotian; Wang, Cheng-Xiang; Yuan, Dongfeng; Zhang, Wensheng

    2017-07-04

    In this paper, we propose to combine Orthogonal Frequency Division Multiplexing-Interleave Division Multiple Access (OFDM-IDMA) with Simultaneous Wireless Information and Power Transfer (SWIPT), resulting in SWIPT aided OFDM-IDMA scheme for power-limited sensor networks. In the proposed system, the Receive Node (RN) applies Power Splitting (PS) to coordinate the Energy Harvesting (EH) and Information Decoding (ID) process, where the harvested energy is utilized to guarantee the iterative Multi-User Detection (MUD) of IDMA to work under sufficient number of iterations. Our objective is to minimize the total transmit power of Source Node (SN), while satisfying the requirements of both minimum harvested energy and Bit Error Rate (BER) performance from individual receive nodes. We formulate such a problem as a joint power allocation and splitting one, where the iteration number of MUD is also taken into consideration as the key parameter to affect both EH and ID constraints. To solve it, a sub-optimal algorithm is proposed to determine the power profile, PS ratio and iteration number of MUD in an iterative manner. Simulation results verify that the proposed algorithm can provide significant performance improvement.

  10. Implicit-Explicit Time Integration Methods for Non-hydrostatic Atmospheric Models

    NASA Astrophysics Data System (ADS)

    Gardner, D. J.; Guerra, J. E.; Hamon, F. P.; Reynolds, D. R.; Ullrich, P. A.; Woodward, C. S.

    2016-12-01

    The Accelerated Climate Modeling for Energy (ACME) project is developing a non-hydrostatic atmospheric dynamical core for high-resolution coupled climate simulations on Department of Energy leadership class supercomputers. An important factor in computational efficiency is avoiding the overly restrictive time step size limitations of fully explicit time integration methods due to the stiffest modes present in the model (acoustic waves). In this work we compare the accuracy and performance of different Implicit-Explicit (IMEX) splittings of the non-hydrostatic equations and various Additive Runge-Kutta (ARK) time integration methods. Results utilizing the Tempest non-hydrostatic atmospheric model and the ARKode package show that the choice of IMEX splitting and ARK scheme has a significant impact on the maximum stable time step size as well as solution quality. Horizontally Explicit Vertically Implicit (HEVI) approaches paired with certain ARK methods lead to greatly improved runtimes. With effective preconditioning IMEX splittings that incorporate some implicit horizontal dynamics can be competitive with HEVI results. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-699187

  11. Density Functional Theory Simulations of Water Adsorption and Activation on the (-201) β-Ga2 O3 Surface.

    PubMed

    Anvari, Roozbeh; Spagnoli, Dino; Parish, Giacinta; Nener, Brett

    2018-03-09

    Density functional theory calculations are used to study the molecular and dissociative adsorption of water on the (-201) β-Ga 2 O 3 surface. The effect of adsorption of different water-like species on the geometry, binding energies, vibrational spectra and the electronic structure of the surface are discussed. The study shows that although the hydrogen evolution reaction requires a small amount of energy to become energetically favourable, the over potential for activating the oxygen evolution reaction is quite high. The results of our calculations provide insight as to why a high voltage is required in experiments to activate the water-splitting reaction, whereas previous studies of gallium oxide predicted very low activation energies for other energetically more favourable facets. Application of this work to studies of GaN-based chemical sensors with gallium oxide surfaces shows that it is possible to select the gate bias so that the sensors are not influenced by water-splitting reactions. It was also found that in the region where water splitting does not occur, the surface can exist in two states, that is, water or hydroxyl terminated. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Electron-Spin Filters Based on the Rashba Effect

    NASA Technical Reports Server (NTRS)

    Ting, David Z.-Y.; Cartoixa, Xavier; McGill, Thomas C.; Moon, Jeong S.; Chow, David H.; Schulman, Joel N.; Smith, Darryl L.

    2004-01-01

    Semiconductor electron-spin filters of a proposed type would be based on the Rashba effect, which is described briefly below. Electron-spin filters more precisely, sources of spin-polarized electron currents have been sought for research on, and development of, the emerging technological discipline of spintronics (spin-based electronics). There have been a number of successful demonstrations of injection of spin-polarized electrons from diluted magnetic semiconductors and from ferromagnetic metals into nonmagnetic semiconductors. In contrast, a device according to the proposal would be made from nonmagnetic semiconductor materials and would function without an applied magnetic field. The Rashba effect, named after one of its discoverers, is an energy splitting, of what would otherwise be degenerate quantum states, caused by a spin-orbit interaction in conjunction with a structural-inversion asymmetry in the presence of interfacial electric fields in a semiconductor heterostructure. The magnitude of the energy split is proportional to the electron wave number. The present proposal evolved from recent theoretical studies that suggested the possibility of devices in which electron energy states would be split by the Rashba effect and spin-polarized currents would be extracted by resonant quantum-mechanical tunneling. Accordingly, a device according to the proposal would be denoted an asymmetric resonant interband tunneling diode [a-RITD]. An a-RITD could be implemented in a variety of forms, the form favored in the proposal being a double-barrier heterostructure containing an asymmetric quantum well. It is envisioned that a-RITDs would be designed and fabricated in the InAs/GaSb/AlSb material system for several reasons: Heterostructures in this material system are strong candidates for pronounced Rashba spin splitting because InAs and GaSb exhibit large spin-orbit interactions and because both InAs and GaSb would be available for the construction of highly asymmetric quantum wells. This mate-rial system affords a variety of energy-band alignments that can be exploited to obtain resonant tunneling and other desired effects. The no-common-atom InAs/GaSb and InAs/AlSb interfaces would present opportunities for engineering interface potentials for optimizing Rashba spin splitting.

  13. How to increase the efficiency of the electrical discharge method for destruction of nonconductive solid materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Voitenko, N. V., E-mail: tevn@hvd.tpu.ru; Yudin, A. S.; Kuznetsova, N. S.

    The paper deals with the relevance of using electrical discharge technology for construction works in the city. The technical capabilities of the installation for the multi-borehole electro-discharge splitting off and destruction of rocks and concrete are described. The ways to increase the efficiency of the electrical discharge method for the destruction of solids are proposed. In order to augment the discharge circuit energy, the energy storage is separated into two individual capacitor batteries. The throttle with the inductance of 28.6 μH is installed in one of the batteries, which increases the duration of the channel energy release to 400 μsmore » and the efficiency of electrical discharge splitting off of concrete.« less

  14. Electron-electron interaction and spin-orbit coupling in InAs/AlSb heterostructures with a two-dimensional electron gas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gavrilenko, V. I.; Krishtopenko, S. S., E-mail: ds_a-teens@mail.ru; Goiran, M.

    2011-01-15

    The effect of electron-electron interaction on the spectrum of two-dimensional electron states in InAs/AlSb (001) heterostructures with a GaSb cap layer with one filled size-quantization subband. The energy spectrum of two-dimensional electrons is calculated in the Hartree and Hartree-Fock approximations. It is shown that the exchange interaction decreasing the electron energy in subbands increases the energy gap between subbands and the spin-orbit splitting of the spectrum in the entire region of electron concentrations, at which only the lower size-quantization band is filled. The nonlinear dependence of the Rashba splitting constant at the Fermi wave vector on the concentration of two-dimensionalmore » electrons is demonstrated.« less

  15. A non-oscillatory energy-splitting method for the computation of compressible multi-fluid flows

    NASA Astrophysics Data System (ADS)

    Lei, Xin; Li, Jiequan

    2018-04-01

    This paper proposes a new non-oscillatory energy-splitting conservative algorithm for computing multi-fluid flows in the Eulerian framework. In comparison with existing multi-fluid algorithms in the literature, it is shown that the mass fraction model with isobaric hypothesis is a plausible choice for designing numerical methods for multi-fluid flows. Then we construct a conservative Godunov-based scheme with the high order accurate extension by using the generalized Riemann problem solver, through the detailed analysis of kinetic energy exchange when fluids are mixed under the hypothesis of isobaric equilibrium. Numerical experiments are carried out for the shock-interface interaction and shock-bubble interaction problems, which display the excellent performance of this type of schemes and demonstrate that nonphysical oscillations are suppressed around material interfaces substantially.

  16. Important Publications in the Area of Photovoltaic Performance |

    Science.gov Websites

    , 2011, DOI: 978-0-12-385934-1. Photoelectrochemical Water Splitting: Standards, Experimental Methods Energy Systems Testing, Solar Energy 73, 443-467 (2002). D.R. Myers, K. Emery, and C. Gueymard, Revising Performance Evaluation Methodologies for Energy Ratings," Proc. 24th IEEE Photovoltaic Specialists Conf

  17. 16 CFR 305.14 - Energy information disclosures for heating and cooling equipment.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... accordance with § 305.5. The energy efficiency rating(s) for split-system condenser-evaporator coil combinations shall be either: (A) The energy efficiency rating of the actual condenser-evaporator coil...-evaporator coil combination that is the particular manufacturer's most commonly sold combination for that...

  18. Landau level splitting in Cd3As2 under high magnetic fields

    NASA Astrophysics Data System (ADS)

    Zhang, Cheng; Cao, Junzhi; Liang, Sihang; Xia, Zhengcai; Li, Liang; Xiu, Faxian

    2015-03-01

    Three-dimensional (3D) topological Dirac semimetals (TDSs) are a new kind of Dirac materials that adopt nontrivial topology in band structure and possess degenerated massless Dirac fermions in the bulk. It has been proposed that TDSs can be driven to other exotic phases like Weyl semimetals, topological insulators and topological superconductors by breaking certain symmetries. Here we report the first transport evidence of Landau level splitting in TDS Cd3As2 single crystals under high magnetic fields, suggesting the removal of spin degeneracy by breaking time reversal symmetry (TRS). The observed Landau level splitting is originated from the joint contributions of orbit and Zeeman splitting in Cd3As2. In addition, the detected Berry phase is found to vary from nontrivial to trivial at different field directions, revealing a fierce competition between the orbit-coupled field strength and the field-generated mass term. Our results demonstrate a feasible path to generate a Weyl semimetal phase based on the TDSs by breaking TRS.

  19. Research on Spectroscopy, Opacity, and Atmospheres

    NASA Astrophysics Data System (ADS)

    Kurucz, Robert L.

    1996-01-01

    The main accomplishment was the merging of all the atomic line data into one wavelength-sorted list that is simple to use. We have combined all the atomic files from a CDROM into 534,910 line files GFALL.DAT and GFELEN.DAT. These are the data we use to compute spectra. They are not up to date. References are given in GFALL.REF or GFELEK.REF. There are no references after 1988, and for light elements there are no references after 1979. One new development is the inclusion of hyperfine splitting for the iron group elements using hyperfine data from the literature through 1993. The data are very incomplete. We have supplied a program for splitting the line list for a species. It reads the hyperfine and isotopic splitting parameters for levels and computes the splittings whenever those levels appear. Lines with no splitting data are copied untouched. Because Sc, Mn, and Co are monoisotopic, only the hyperfine splittings are needed. Since 51V is much more abundant than 50V, the isotope shifts are small for 51V, and we approximate V with 51V. GFALLHYP.DAT has 754,946 lines including hyperfine Sc I, V I, Mn I, and Co I.

  20. Effect of external electric field on spin-orbit splitting of the two-dimensional tungsten dichalcogenides WX 2 (X = S, Se)

    NASA Astrophysics Data System (ADS)

    Affandi, Y.; Absor, M. A. U.; Abraha, K.

    2018-04-01

    Tungsten dichalcogenides WX 2 (X=S, Se) monolayer (ML) attracted much attention due their large spin splitting, which is promising for spintronics applications. However, manipulation of the spin splitting using an external electric field plays a crucial role in the spintronic device operation, such as the spin-field effect transistor. By using first-principles calculations based on density functional theory (DFT), we investigate the impact of external electric field on the spin splitting properties of the WX 2 ML. We find that large spin-splitting up to 441 meV and 493 meV is observed on the K point of the valence band maximum, for the case of the WS2 and WSe2 ML, respectively. Moreover, we also find that the large spin-orbit splitting is also identified in the conduction band minimum around Q points with energy splitting of 285 meV and 270 meV, respectively. Our calculation also show that existence of the direct semiconducting – indirect semiconducting – metallic transition by applying the external electric field. Our study clarify that the electric field plays a significant role in spin-orbit interaction of the WX 2 ML, which has very important implications in designing future spintronic devices.

  1. Can the KTP laser change the cementum surface of healthy and diseased teeth providing an acceptable root surface for fibroblast attachment?

    NASA Astrophysics Data System (ADS)

    Mailhot, Jason M.; Garnick, Jerry J.

    1996-04-01

    The purpose of our research is to determine the effects of KTP laser on root cementum and fibroblast attachment. Initial work has been completed in testing the effect of different energy levels on root surfaces. From these studies optimal energy levels were determined. In subsequent studies the working distance and exposure time required to obtain significant fibroblast attachment to healthy cementum surfaces were investigated. Results showed that lased cemental surfaces exhibited changes in surface topography which ranged from a melted surface to an apparent slight fusion of the surface of the covering smear layer. When the optimal energy level was used, fibroblasts demonstrate attachment on the specimens, resulting in the presence of a monolayer of cells on the control surfaces as well as on the surfaces lased with this energy level. The present study investigates the treatment of pathological root surfaces and calculus with a KTP laser utilizing these optimal parameters determine previously. Thirty single rooted teeth with advanced periodontal disease and ten healthy teeth were obtained, crowns were sectioned and roots split longitudinally. Forty test specimens were assigned into 1 of 4 groups; pathologic root--not lased, pathologic root--lased, root planed root and health root planed root. Human gingival fibroblasts were seeded on specimens and cultured for 24 hours. Specimens were processed for SEM. The findings suggest that with the KTP laser using a predetermined energy level applied to pathological root surfaces, the lased surfaces provided an unacceptable surface for fibroblast attachment. However, the procedural control using healthy root planed surfaces did demonstrate fibroblast attachment.

  2. Protein from Meat or Vegetable Sources in Meals Matched for Fiber Content has Similar Effects on Subjective Appetite Sensations and Energy Intake-A Randomized Acute Cross-Over Meal Test Study.

    PubMed

    Nielsen, Lone V; Kristensen, Marlene D; Klingenberg, Lars; Ritz, Christian; Belza, Anita; Astrup, Arne; Raben, Anne

    2018-01-16

    Higher-protein meals decrease hunger and increase satiety compared to lower-protein meals. However, no consensus exists about the different effects of animal and vegetable proteins on appetite. We investigated how a meal based on vegetable protein (fava beans/split peas) affected ad libitum energy intake and appetite sensations, compared to macronutrient-balanced, iso-caloric meals based on animal protein (veal/pork or eggs). Thirty-five healthy men were enrolled in this acute cross-over study. On each test day, participants were presented with one of four test meals (~3550 kilojoules (kJ) 19% of energy from protein), based on fava beans/split peas (28.5 g fiber), pork/veal or eggs supplemented with pea fiber to control for fiber content (28.5 g fiber), or eggs without supplementation of fiber (6.0 g fiber). Subjective appetite sensations were recorded at baseline and every half hour until the ad libitum meal three hours later. There were no differences in ad libitum energy intake across test meals ( p > 0.05). Further, no differences were found across meals for hunger, satiety, fullness, prospective food consumption, or composite appetite score (all p > 0.05). Iso-caloric, macronutrient-balanced, fiber-matched meals based on vegetable protein (fava beans/split peas) or animal protein (veal/pork or eggs) had similar effects on ad libitum energy intake and appetite sensations.

  3. Electrospun strontium titanata nanofibers incorporated with nickel oxide nanoparticles for improved photocatalytic activities

    NASA Astrophysics Data System (ADS)

    Alharbi, Abdulaziz; Alarifi, Ibrahim M.; Khan, Waseem S.; Asmatulu, Ramazan

    2015-03-01

    The inexpensive sources of fossil fuels in the world are limited, and will deplete soon because of the huge demand on the energy and growing economies worldwide. Thus, many research activities have been focused on the non-fossil fuel based energy sources, and this will continue next few decades. Water splitting using photocatalysts is one of the major alternative energy technologies to produce hydrogen directly from water using photon energy of the sun. Numerous solid photocatalysts have been used by researchers for water splitting. In the present study, nickel oxide and strontium titanata were chosen as photocatalysts for water splitting. Poly (vinyl pyrrolidone) (PVP) was incorporated with nickel oxide [Ni2O3] (co-catalyst), while poly (vinyl acetate) (PVAc) was mixed with titanium (IV) isopropoxide [C12H28O4Ti] and strontium nitrate [Sr(NO3)2]. Then, two solutions were electrospun using coaxial electrospinning technique to generate nanoscale fibers incorporated with NiOx nanoparticles. The fibers were then heat treated at elevated temperatures for 2hr in order to transform the strontium titanata and nickel oxide into crystalline form for a better photocatalytic efficiency. The morphology of fibers was characterized via scanning electron microscopy (SEM), while the surface hydrophobicity was determined using water contact angle goniometer. The UV-vis spectrophotometer was also used to determine the band gap energy values of the nanofibers. This study may open up new possibilities to convert water into fuel directly using the novel photocatalysts.

  4. Protein from Meat or Vegetable Sources in Meals Matched for Fiber Content has Similar Effects on Subjective Appetite Sensations and Energy Intake—A Randomized Acute Cross-Over Meal Test Study

    PubMed Central

    Nielsen, Lone V.; Kristensen, Marlene D.; Klingenberg, Lars; Belza, Anita

    2018-01-01

    Higher-protein meals decrease hunger and increase satiety compared to lower-protein meals. However, no consensus exists about the different effects of animal and vegetable proteins on appetite. We investigated how a meal based on vegetable protein (fava beans/split peas) affected ad libitum energy intake and appetite sensations, compared to macronutrient-balanced, iso-caloric meals based on animal protein (veal/pork or eggs). Thirty-five healthy men were enrolled in this acute cross-over study. On each test day, participants were presented with one of four test meals (~3550 kilojoules (kJ) 19% of energy from protein), based on fava beans/split peas (28.5 g fiber), pork/veal or eggs supplemented with pea fiber to control for fiber content (28.5 g fiber), or eggs without supplementation of fiber (6.0 g fiber). Subjective appetite sensations were recorded at baseline and every half hour until the ad libitum meal three hours later. There were no differences in ad libitum energy intake across test meals (p > 0.05). Further, no differences were found across meals for hunger, satiety, fullness, prospective food consumption, or composite appetite score (all p > 0.05). Iso-caloric, macronutrient-balanced, fiber-matched meals based on vegetable protein (fava beans/split peas) or animal protein (veal/pork or eggs) had similar effects on ad libitum energy intake and appetite sensations. PMID:29337861

  5. Study of the modes of adsorption and electronic structure of hydrogen peroxide and ethanol over TiO2 rutile (110) surface within the context of water splitting

    NASA Astrophysics Data System (ADS)

    Alghamdi, H.; Idriss, H.

    2018-03-01

    While photocatalytic water splitting over many materials is favourable thermodynamically the kinetic of the reaction is very slow. One of the proposed reasons linked to the slow oxidation reaction rate is H2O2 formation as a reaction intermediate. Using Density Functional Theory (DFT) H2O2 is investigated on TiO2 rutile (110) surface to determine its most stable adsorption modes: molecular, (H)O(H)O - (a), partially dissociated, (H)OO - (a), and fully dissociated (a) - OO - (a). We then compare H2O2 interaction to that of a fast hole scavenger molecule, ethanol. Geometry, electronic structure, charge density difference and work function determination of both adsorbates are presented and compared using DFT with different functionals (PBE, PBE-D, PBE-U, and HSE + D). H2O2 is found to be strongly adsorbed on TiO2 rutile (110) surface with adsorption energies reaching 0.95 eV, comparable to that of ethanol (0.89 eV); using GGA PBE. The negative changes in the work function upon adsorption were found to be highest for molecular adsorption ( - 1.23 eV) and lowest for the fully dissociated mode ( - 0.54 eV) of H2O2. This may indicate that electrons flow from the surface to the adsorbate in order to make O(s)-H partially offset the overall magnitude of the oxygen lone pair interaction (of H2O2) with Ti4+ cations. Examination of the electronic structure through density of states (DOS) at the PBE level of computation, indicates that the H2O2 highest occupied molecular orbital (HOMO) level is not overlapping with oxygen atoms of TiO2 surface at any of its adsorption modes and at any of the computation methods. Some overlap is seen using the HSE + D computational method. On the other hand the dissociated mode of ethanol (ethoxides) does overlap with all computational methods used. The high adsorption energy and the absence of overlapping of the HOMO level of H2O2 with TiO2 rutile (110) surface may explain why water splitting is slow.

  6. The suppression of pulsar and gamma-ray burst annihilation lines by magnetic photon splitting

    NASA Technical Reports Server (NTRS)

    Baring, Matthew G.

    1993-01-01

    Neutron stars, relativistic and compact by nature, show great potential for the copious creation of electron-positron pairs in the magnetospheres; these rapidly cool, thermalize, and then annihilate. It is therefore expected that many neutron sources might display evidence of pair annihilation lines in the 400-500 keV range. It is shown that magnetic photon splitting, which operates effectively at these energies and in the enormous neutron star magnetic fields, can destroy an annihilation feature by absorbing line photons and reprocessing them to lower energies. In so doing, photon splitting creates a soft gamma-ray bump and a broad quasi-power-law contribution to the X-ray continuum, which is too flat to conflict with the observed X-ray paucity in gamma-ray bursts. The destruction of the line occurs in neutron stars with surface fields of 5 x 10 exp 12 G or maybe even less, depending on the size of the emission region.

  7. Surface, Bulk, and Interface: Rational Design of Hematite Architecture toward Efficient Photo-Electrochemical Water Splitting.

    PubMed

    Li, Chengcheng; Luo, Zhibin; Wang, Tuo; Gong, Jinlong

    2018-05-11

    Collecting and storing solar energy to hydrogen fuel through a photo-electrochemical (PEC) cell provides a clean and renewable pathway for future energy demands. Having earth-abundance, low biotoxicity, robustness, and an ideal n-type band position, hematite (α-Fe 2 O 3 ), the most common natural form of iron oxide, has occupied the research hotspot for decades. Here, a close look into recent progress of hematite photoanodes for PEC water splitting is provided. Effective approaches are introduced, such as cocatalysts loading and surface passivation layer deposition, to improve the hematite surface reaction in thermodynamics and kinetics. Second, typical methods for enhancing light absorption and accelerating charge transport in hematite bulk are reviewed, concentrating upon doping and nanostructuring. Third, the back contact between hematite and substrate, which affects interface states and electron transfer, is deliberated. In addition, perspectives on the key challenges and future prospects for the development of hematite photoelectrodes for PEC water splitting are given. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Deformation-induced splitting of the isoscalar E 0 giant resonance: Skyrme random-phase-approximation analysis

    NASA Astrophysics Data System (ADS)

    Kvasil, J.; Nesterenko, V. O.; Repko, A.; Kleinig, W.; Reinhard, P.-G.

    2016-12-01

    The deformation-induced splitting of isoscalar giant monopole resonance (ISGMR) is systematically analyzed in a wide range of masses covering medium, rare-earth, actinide, and superheavy axial deformed nuclei. The study is performed within the fully self-consistent quasiparticle random-phase-approximation method based on the Skyrme functional. Two Skyrme forces, one with a large (SV-bas) and one with a small (SkP) nuclear incompressibility, are considered. The calculations confirm earlier results that, because of the deformation-induced E 0 -E 2 coupling, the isoscalar E 0 resonance attains a double-peak structure and significant energy upshift. Our results are compared with available analytic estimations. Unlike earlier studies, we get a smaller energy difference between the lower and upper peaks and thus a stronger E 0 -E 2 coupling. This in turn results in more pumping of E 0 strength into the lower peak and more pronounced splitting of ISGMR. We also discuss widths of the peaks and their negligible correlation with deformation.

  9. Direct solar-to-hydrogen conversion via inverted metamorphic multi-junction semiconductor architectures

    DOE PAGES

    Young, James L.; Steiner, Myles A.; Döscher, Henning; ...

    2017-03-13

    Solar water splitting via multi-junction semiconductor photoelectrochemical cells provides direct conversion of solar energy to stored chemical energy as hydrogen bonds. Economical hydrogen production demands high conversion efficiency to reduce balance-of-systems costs. For sufficient photovoltage, water-splitting efficiency is proportional to the device photocurrent, which can be tuned by judicious selection and integration of optimal semiconductor bandgaps. Here, we demonstrate highly efficient, immersed water-splitting electrodes enabled by inverted metamorphic epitaxy and a transparent graded buffer that allows the bandgap of each junction to be independently varied. Voltage losses at the electrolyte interface are reduced by 0.55 V over traditional, uniformly p-dopedmore » photocathodes by using a buried p-n junction. Lastly, advanced on-sun benchmarking, spectrally corrected and validated with incident photon-to-current efficiency, yields over 16% solar-to-hydrogen efficiency with GaInP/GaInAs tandem absorbers, representing a 60% improvement over the classical, high-efficiency tandem III-V device.« less

  10. Time-resolved observation of coherent excitonic nonlinear response with a table-top narrowband THz pulse wave

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Uchida, K.; Hirori, H., E-mail: hirori@icems.kyoto-u.ac.jp; CREST, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012

    2015-11-30

    By combining a tilted-pulse-intensity-front scheme using a LiNbO{sub 3} crystal and a chirped-pulse-beating method, we generated a narrowband intense terahertz (THz) pulse, which had a maximum electric field of more than 10 kV/cm at around 2 THz, a bandwidth of ∼50 GHz, and frequency tunability from 0.5 to 2 THz. By performing THz-pump and near-infrared-probe experiments on GaAs quantum wells, we observed that the resonant excitation of the intraexcitonic 1s-2p transition induces a clear and large Autler-Townes splitting. Our time-resolved measurements show that the splitting energy observed in the rising edge region of electric field is larger than in the constant region.more » This result implies that the splitting energy depends on the time-averaged THz field over the excitonic dephasing time rather than that at the instant of the exciton creation by a probe pulse.« less

  11. Direct solar-to-hydrogen conversion via inverted metamorphic multi-junction semiconductor architectures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Young, James L.; Steiner, Myles A.; Döscher, Henning

    Solar water splitting via multi-junction semiconductor photoelectrochemical cells provides direct conversion of solar energy to stored chemical energy as hydrogen bonds. Economical hydrogen production demands high conversion efficiency to reduce balance-of-systems costs. For sufficient photovoltage, water-splitting efficiency is proportional to the device photocurrent, which can be tuned by judicious selection and integration of optimal semiconductor bandgaps. Here, we demonstrate highly efficient, immersed water-splitting electrodes enabled by inverted metamorphic epitaxy and a transparent graded buffer that allows the bandgap of each junction to be independently varied. Voltage losses at the electrolyte interface are reduced by 0.55 V over traditional, uniformly p-dopedmore » photocathodes by using a buried p-n junction. Lastly, advanced on-sun benchmarking, spectrally corrected and validated with incident photon-to-current efficiency, yields over 16% solar-to-hydrogen efficiency with GaInP/GaInAs tandem absorbers, representing a 60% improvement over the classical, high-efficiency tandem III-V device.« less

  12. Joint Resource Optimization for Cognitive Sensor Networks with SWIPT-Enabled Relay.

    PubMed

    Lu, Weidang; Lin, Yuanrong; Peng, Hong; Nan, Tian; Liu, Xin

    2017-09-13

    Energy-constrained wireless networks, such as wireless sensor networks (WSNs), are usually powered by fixed energy supplies (e.g., batteries), which limits the operation time of networks. Simultaneous wireless information and power transfer (SWIPT) is a promising technique to prolong the lifetime of energy-constrained wireless networks. This paper investigates the performance of an underlay cognitive sensor network (CSN) with SWIPT-enabled relay node. In the CSN, the amplify-and-forward (AF) relay sensor node harvests energy from the ambient radio-frequency (RF) signals using power splitting-based relaying (PSR) protocol. Then, it helps forward the signal of source sensor node (SSN) to the destination sensor node (DSN) by using the harvested energy. We study the joint resource optimization including the transmit power and power splitting ratio to maximize CSN's achievable rate with the constraint that the interference caused by the CSN to the primary users (PUs) is within the permissible threshold. Simulation results show that the performance of our proposed joint resource optimization can be significantly improved.

  13. Natural and Artificial Mn4 Ca Cluster for the Water Splitting Reaction.

    PubMed

    Chen, Changhui; Li, Yanxi; Zhao, Guoqing; Yao, Ruoqing; Zhang, Chunxi

    2017-11-23

    The oxygen-evolving center (OEC) in photosystem II (PSII) is a unique biological catalyst that splits water into electrons, protons, and O 2 by using solar energy. Recent crystallographic studies have revealed that the structure of the OEC is an asymmetric Mn 4 Ca cluster, which provides a blueprint to develop man-made water-splitting catalysts for artificial photosynthesis. Although it is a great challenge to mimic the whole structure and function of the OEC in the laboratory, significant advances have recently been achieved. In this Minireview, recent progress on mimicking the natural OEC is discussed. New strategies are suggested to construct more stable and efficient new generation of catalytic materials for the water splitting reaction based on the artificial Mn 4 Ca cluster in the future. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. A Novel Approach with Time-Splitting Spectral Technique for the Coupled Schrödinger-Boussinesq Equations Involving Riesz Fractional Derivative

    NASA Astrophysics Data System (ADS)

    Saha Ray, S.

    2017-09-01

    In the present paper the Riesz fractional coupled Schrödinger-Boussinesq (S-B) equations have been solved by the time-splitting Fourier spectral (TSFS) method. This proposed technique is utilized for discretizing the Schrödinger like equation and further, a pseudospectral discretization has been employed for the Boussinesq-like equation. Apart from that an implicit finite difference approach has also been proposed to compare the results with the solutions obtained from the time-splitting technique. Furthermore, the time-splitting method is proved to be unconditionally stable. The error norms along with the graphical solutions have also been presented here. Supported by NBHM, Mumbai, under Department of Atomic Energy, Government of India vide Grant No. 2/48(7)/2015/NBHM (R.P.)/R&D II/11403

  15. A review on g-C3N4 for photocatalytic water splitting and CO2 reduction

    NASA Astrophysics Data System (ADS)

    Ye, Sheng; Wang, Rong; Wu, Ming-Zai; Yuan, Yu-Peng

    2015-12-01

    Solar fuel generation through water splitting and CO2 photoreduction is an ideal route to provide the renewable energy sources and mitigate global warming. The main challenge in photocatalysis is finding a low-cost photocatalyst that can work efficiently to split water into hydrogen and reduce CO2 to hydrocarbon fuels. Metal-free g-C3N4 photocatalyst shows great potentials for solar fuel production. In this mini review, we summarize the most current advances on novel design idea and new synthesis strategy for g-C3N4 preparation, insightful ideas on extending optical absorption of pristine g-C3N4, overall water splitting and CO2 photoreduction over g-C3N4 based systems. The research challenges and perspectives on g-C3N4 based photocatalysts were also suggested.

  16. Common Utilities in the Energy Systems Integration Facility | Energy

    Science.gov Websites

    Systems Integration Facility. Common utilities include: Power: Three-phase 480/277 VAC, 208/120 VAC, 240 split-phase VAC, and 120 single-phase VAC Water: Process heating and cooling and research cooling

  17. Projected Dipole Moments of Individual Two-Level Defects Extracted Using Circuit Quantum Electrodynamics.

    PubMed

    Sarabi, B; Ramanayaka, A N; Burin, A L; Wellstood, F C; Osborn, K D

    2016-04-22

    Material-based two-level systems (TLSs), appearing as defects in low-temperature devices including superconducting qubits and photon detectors, are difficult to characterize. In this study we apply a uniform dc electric field across a film to tune the energies of TLSs within. The film is embedded in a superconducting resonator such that it forms a circuit quantum electrodynamical system. The energy of individual TLSs is observed as a function of the known tuning field. By studying TLSs for which we can determine the tunneling energy, the actual p_{z}, dipole moments projected along the uniform field direction, are individually obtained. A distribution is created with 60 p_{z}. We describe the distribution using a model with two dipole moment magnitudes, and a fit yields the corresponding values p=p_{1}=2.8±0.2  D and p=p_{2}=8.3±0.4  D. For a strong-coupled TLS the vacuum-Rabi splitting can be obtained with p_{z} and tunneling energy. This allows a measurement of the circuit's zero-point electric-field fluctuations, in a method that does not need the electric-field volume.

  18. Field by field hybrid upwind splitting methods

    NASA Technical Reports Server (NTRS)

    Coquel, Frederic; Liou, Meng-Sing

    1993-01-01

    A new and general approach to upwind splitting is presented. The design principle combines the robustness of flux vector splitting schemes in the capture of nonlinear waves and the accuracy of some flux difference splitting schemes in the resolution of linear waves. The new schemes are derived following a general hybridization technique performed directly at the basic level of the field by field decomposition involved in FDS methods. The scheme does not use a spatial switch to be tuned up according to the local smoothness of the approximate solution.

  19. Polarization nondegenerate fiber Fabry-Perot cavities with large tunable splittings

    NASA Astrophysics Data System (ADS)

    Cui, Jin-Ming; Zhou, Kun; Zhao, Ming-Shu; Ai, Ming-Zhong; Hu, Chang-Kang; Li, Qiang; Liu, Bi-Heng; Peng, Jin-Lan; Huang, Yun-Feng; Li, Chuan-Feng; Guo, Guang-Can

    2018-04-01

    We demonstrate a type of microcavity with large tunable splitting of polarization modes. This polarization nondegenerate cavity consists of two ellipsoidal concave mirrors with controllable eccentricity by CO2 laser machining on fiber end facets. The experiment shows that the cavities can combine the advantages of high finesse above 104 and large tunable polarization mode splitting to the GHz range. As the splitting of the cavity can be finely controlled to match atom hyperfine levels or optomechanics phonons, it will blaze a way in experiments on cavity quantum electrodynamics and cavity optomechanics.

  20. Pair cascades in the magnetospheres of strongly magnetized neutron stars

    NASA Astrophysics Data System (ADS)

    Medin, Zach; Lai, Dong

    2010-08-01

    We present numerical simulations of electron-positron pair cascades in the magnetospheres of magnetic neutron stars for a wide range of surface fields (Bp = 1012-1015 G), rotation periods (0.1-10 s) and field geometries. This has been motivated by the discovery in recent years of a number of radio pulsars with inferred magnetic fields comparable to those of magnetars. Evolving the cascade generated by a primary electron or positron after it has been accelerated in the inner gap of the magnetosphere, we follow the spatial development of the cascade until the secondary photons and electron-positron pairs leave the magnetosphere, and we obtain the pair multiplicity and the energy spectra of the cascade pairs and photons under various conditions. Going beyond previous works, which were restricted to weaker fields (B <~ afew × 1012 G), we have incorporated in our simulations detailed treatments of physical processes that are potentially important (especially in the high-field regime) but were either neglected or crudely treated before, including photon splitting with the correct selection rules for photon polarization modes, one-photon pair production into low Landau levels for the e+/-, and resonant inverse Compton scattering from polar cap hotspots. We find that even for B >> BQ = 4 × 1013 G, photon splitting has a small effect on the multiplicity of the cascade since a majority of the photons in the cascade cannot split. One-photon decay into e+ e- pairs at low Landau levels, however, becomes the dominant pair production channel when B >~ 3 × 1012 G; this tends to suppress synchrotron radiation so that the cascade can develop only at a larger distance from the stellar surface. Nevertheless, we find that the total number of pairs and their energy spectrum produced in the cascade depend mainly on the polar cap voltage BpP-2, and are weakly dependent on Bp (and P) alone. We discuss the implications of our results for the radio pulsar death line and for the hard X-ray emission from magnetized neutron stars.

  1. Leading logarithmic corrections to the muonium hyperfine splitting and to the hydrogen Lamb shift

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Karshenboim, S.G.

    1994-12-31

    Main leading corrections with recoil logarithm log(M/m) and low-energy logarithm log(Za) to the Muonium hyperfine splitting axe discussed. Logarithmic corrections have magnitudes of 0.1 {divided_by} 0.3 kHz. Non-leading higher order corrections axe expected to be not larger than 0.1 kHz. Leading logarithmic correction to the Hydrogen Lamb shift is also obtained.

  2. Spin-orbit coupling calculations with the two-component normalized elimination of the small component method

    NASA Astrophysics Data System (ADS)

    Filatov, Michael; Zou, Wenli; Cremer, Dieter

    2013-07-01

    A new algorithm for the two-component Normalized Elimination of the Small Component (2cNESC) method is presented and tested in the calculation of spin-orbit (SO) splittings for a series of heavy atoms and their molecules. The 2cNESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac SO splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000), 10.1103/PhysRevB.62.7809]. The use of the screened nucleus potential for the two-electron SO interaction leads to accurate spinor energy splittings, for which the deviations from the accurate Dirac Fock-Coulomb values are on the average far below the deviations observed for other effective one-electron SO operators. For hydrogen halides HX (X = F, Cl, Br, I, At, and Uus) and mercury dihalides HgX2 (X = F, Cl, Br, I) trends in spinor energies and SO splittings as obtained with the 2cNESC method are analyzed and discussed on the basis of coupling schemes and the electronegativity of X.

  3. Influence of F- on stark splitting of Yb3+ and the thermal expansion of silica glass

    NASA Astrophysics Data System (ADS)

    Cao, Yabin; Chen, Si; Shao, Chongyun; Yu, Chunlei

    2018-06-01

    A local phosphate/fluoride environment of Yb3+ was created in silica glass using a multi-step method. The influence of F- on the Stark splitting of Yb3+ in Al3+/P5+/F- co-doped silica glass was studied at room-temperature, in addition to its effect on the thermal expansion performance of the glass matrix. The results indicate that Yb3+ ions in Al3+/P5+/F- co-doped silica glass have a larger Stark splitting energy of 2F7/2 compared to Al3+/P5+ co-doped silica glass. Moreover, a larger integrated absorption cross-section (34.58 pm2 × nm), stimulated emission cross-section (0.63 pm2), and better thermal expansion performance (1.3062 × 10-6 K- at 100 °C) are achieved in Al3+/P5+/F- co-doped silica glass. Finally, different function mechanisms of F- in silica and phosphate glasses were analyzed and the F-Si bond was used to explain the results in silica glass. The combination of low refractive index, large Stark splitting energy of 2F7/2, and small thermal expansion makes Al3+/P5+/F- co-doped silica glass a preferred material for large mode area fibers for high-power laser applications.

  4. Experimental detection of a Majorana mode in the core of a magnetic vortex inside a topological insulator-superconductor Bi(2)Te(3)/NbSe(2) heterostructure.

    PubMed

    Xu, Jin-Peng; Wang, Mei-Xiao; Liu, Zhi Long; Ge, Jian-Feng; Yang, Xiaojun; Liu, Canhua; Xu, Zhu An; Guan, Dandan; Gao, Chun Lei; Qian, Dong; Liu, Ying; Wang, Qiang-Hua; Zhang, Fu-Chun; Xue, Qi-Kun; Jia, Jin-Feng

    2015-01-09

    Majorana fermions have been intensively studied in recent years for their importance to both fundamental science and potential applications in topological quantum computing. They are predicted to exist in a vortex core of superconducting topological insulators. However, it is extremely difficult to distinguish them experimentally from other quasiparticle states for the tiny energy difference between Majorana fermions and these states, which is beyond the energy resolution of most available techniques. Here, we circumvent the problem by systematically investigating the spatial profile of the Majorana mode and the bound quasiparticle states within a vortex in Bi(2)Te(3) films grown on a superconductor NbSe(2). While the zero bias peak in local conductance splits right off the vortex center in conventional superconductors, it splits off at a finite distance ∼20  nm away from the vortex center in Bi(2)Te(3). This unusual splitting behavior has never been observed before and could be possibly due to the Majorana fermion zero mode. While the Majorana mode is destroyed by the interaction between vortices, the zero bias peak splits as a conventional superconductor again. This work provides self-consistent evidences of Majorana fermions and also suggests a possible route to manipulating them.

  5. Energy-Efficient Management of Mechanical Ventilation and Relative Humidity in Hot-Humid Climates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Withers, Jr., Charles R.

    2016-12-01

    In hot and humid climates, it is challenging to energy-efficiently maintain indoor RH at acceptable levels while simultaneously providing required ventilation, particularly in high performance low cooling load homes. The fundamental problem with solely relying on fixed capacity central cooling systems to manage moisture during low sensible load periods is that they are oversized for cooler periods of the year despite being 'properly sized' for a very hot design cooling day. The primary goals of this project were to determine the impact of supplementing a central space conditioning system with 1) a supplemental dehumidifier and 2) a ductless mini-split onmore » seasonal energy use and summer peak power use as well as the impact on thermal distribution and humidity control inside a completely furnished lab home that was continuously ventilated in accordance with ASHRAE 62.2-2013.« less

  6. Building America Case Study: Energy Efficient Management of Mechanical Ventilation and Relative Humidity in Hot-Humid Climates, Cocoa, Florida

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    2017-01-01

    In hot and humid climates, it is challenging to energy-efficiently maintain indoor RH at acceptable levels while simultaneously providing required ventilation, particularly in high performance low cooling load homes. The fundamental problem with solely relying on fixed capacity central cooling systems to manage moisture during low sensible load periods is that they are oversized for cooler periods of the year despite being 'properly sized' for a very hot design cooling day. The primary goals of this project were to determine the impact of supplementing a central space conditioning system with 1) a supplemental dehumidifier and 2) a ductless mini-split onmore » seasonal energy use and summer peak power use as well as the impact on thermal distribution and humidity control inside a completely furnished lab home that was continuously ventilated in accordance with ASHRAE 62.2-2013.« less

  7. Conservative supra-characteristics method for splitting the hyperbolic systems of gasdynamics for real and perfect gases

    NASA Technical Reports Server (NTRS)

    Lombard, C. K.

    1982-01-01

    A conservative flux difference splitting is presented for the hyperbolic systems of gasdynamics. The stable robust method is suitable for wide application in a variety of schemes, explicit or implicit, iterative or direct, for marching in either time or space. The splitting is modeled on the local quasi one dimensional characteristics system for multi-dimensional flow similar to Chakravarthy's nonconservative split coefficient matrix method; but, as the result of maintaining global conservation, the method is able to capture sharp shocks correctly. The embedded characteristics formulation is cast in a primitive variable the volumetric internal energy (rather than the pressure) that is effective for treating real as well as perfect gases. Finally the relationship of the splitting to characteristics boundary conditions is discussed and the associated conservative matrix formulation for a computed blown wall boundary condition is developed as an example. The theoretical development employs and extends the notion of Roe of constructing stable upwind difference formulae by sending split simple one sided flux difference pieces to appropriate mesh sites. The developments are also believed to have the potential for aiding in the analysis of both existing and new conservative difference schemes.

  8. Forming heterojunctions at the nanoscale for improved photoelectrochemical water splitting by semiconductor materials: case studies on hematite.

    PubMed

    Mayer, Matthew T; Lin, Yongjing; Yuan, Guangbi; Wang, Dunwei

    2013-07-16

    In order for the future energy needs of humanity to be adequately and sustainably met, alternative energy techniques such as artificial photosynthesis need to be made more efficient and therefore commercially viable. On a grand scale, the energies coming to and leaving from the earth are balanced. With the fast increasing waste heat produced by human activities, the balance may be shifted to threaten the ecosystem in which we reside. To avoid such dire consequences, it is necessary to power human activities using energy derived from the incoming source, which is predominantly solar irradiation. Indeed, most life on the surface of the earth is supported, directly or indirectly, by photosynthesis that harvests solar energy and stores it in chemical bonds for redistribution. Being able to mimic the process and perform it at high efficiencies using low-cost materials has significant implications. Such an understanding is a major intellectual driving force that motivates research by us and many others. From a thermodynamic perspective, the key energy conversion step in natural photosynthesis happens in the light reactions, where H₂O splits to give O₂ and reactive protons. The capability of carrying out direct sunlight-driven water splitting with high efficiency is therefore fundamentally important. We are particularly interested in doing so using inorganic semiconductor materials because they offer the promise of durability and low cost. In this Account, we share our recent efforts in bringing semiconductor-based water splitting reactions closer to reality. More specifically, we focus on earth-abundant oxide semiconductors such as Fe₂O₃ and work on improving the performance of these materials as photoelectrodes for photoelectrochemical reactions. Using hematite (α-Fe₂O₃) as an example, we examine how the main problems that limit the performance, namely, the short hole collection distance, poor light absorption near the band edge, and mismatch of the band edge energetics with those of water redox reactions, can in principle be addressed by adding nanoscale charge collectors, forming buried junctions, and including additional light absorbers. These results highlight the power of forming homo- or heterojunctions at the nanoscale, which permits us to engineer the band structures of semiconductors to the specific application of water splitting. The key enabling factor is our ability to synthesize materials with precise control over the dimensions, crystallinity, and, most importantly, the interface quality at the nanoscale. While being able to tailor specific properties on a simple, earth-abundant device is not straightforward, the approaches we report here take significant steps towards efficient artificial photosynthesis, an energy harvesting technique necessary for the well-being of humanity.

  9. Luminescence and energy transfer in Lu3Al5O12 scintillators co-doped with Ce3+ and Tb3+.

    PubMed

    Ogiegło, Joanna M; Zych, Aleksander; Ivanovskikh, Konstantin V; Jüstel, Thomas; Ronda, Cees R; Meijerink, Andries

    2012-08-23

    Lu(3)Al(5)O(12) (LuAG) doped with Ce(3+) is a promising scintillator material with a high density and a fast response time. The light output under X-ray or γ-ray excitation is, however, well below the theoretical limit. In this paper the influence of codoping with Tb(3+) is investigated with the aim to increase the light output. High resolution spectra of singly doped LuAG (with Ce(3+) or Tb(3+)) are reported and provide insight into the energy level structure of the two ions in LuAG. For Ce(3+) zero-phonon lines and vibronic structure are observed for the two lowest energy 5d bands and the Stokes' shift (2 350 cm(-1)) and Huang-Rhys coupling parameter (S = 9) have been determined. Tb(3+) 4f-5d transitions to the high spin (HS) and low spin (LS) states are observed (including a zero-phonon line and vibrational structure for the high spin state). The HS-LS splitting of 5400 cm(-1) is smaller than usually observed and is explained by a reduction of the 5d-4f exchange coupling parameter J by covalency. Upon replacing the smaller Lu(3+) ion with the larger Tb(3+) ion, the crystal field splitting for the lowest 5d states increases, causing the lowest 5d state to shift below the (5)D(4) state of Tb(3+) and allowing for efficient energy transfer from Tb(3+) to Ce(3+) down to the lowest temperatures. Luminescence decay measurements confirm efficient energy transfer from Tb(3+) to Ce(3+) and provide a qualitative understanding of the energy transfer process. Co-doping with Tb(3+) does not result in the desired increase in light output, and an explanation based on electron trapping in defects is discussed.

  10. Energy production advantage of independent subcell connection for multijunction photovoltaics

    DOE PAGES

    Warmann, Emily C.; Atwater, Harry A.

    2016-07-07

    Increasing the number of subcells in a multijunction or "spectrum splitting" photovoltaic improves efficiency under the standard AM1.5D design spectrum, but it can lower efficiency under spectra that differ from the standard if the subcells are connected electrically in series. Using atmospheric data and the SMARTS multiple scattering and absorption model, we simulated sunny day spectra over 1 year for five locations in the United States and determined the annual energy production of spectrum splitting ensembles with 2-20 subcells connected electrically in series or independently. While electrically independent subcells have a small efficiency advantage over series-connected ensembles under the AM1.5Dmore » design spectrum, they have a pronounced energy production advantage under realistic spectra over 1 year. Simulated energy production increased with subcell number for the electrically independent ensembles, but it peaked at 8-10 subcells for those connected in series. As a result, electrically independent ensembles with 20 subcells produce up to 27% more energy annually than the series-connected 20-subcell ensemble. This energy production advantage persists when clouds are accounted for.« less

  11. Energy production advantage of independent subcell connection for multijunction photovoltaics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Warmann, Emily C.; Atwater, Harry A.

    Increasing the number of subcells in a multijunction or "spectrum splitting" photovoltaic improves efficiency under the standard AM1.5D design spectrum, but it can lower efficiency under spectra that differ from the standard if the subcells are connected electrically in series. Using atmospheric data and the SMARTS multiple scattering and absorption model, we simulated sunny day spectra over 1 year for five locations in the United States and determined the annual energy production of spectrum splitting ensembles with 2-20 subcells connected electrically in series or independently. While electrically independent subcells have a small efficiency advantage over series-connected ensembles under the AM1.5Dmore » design spectrum, they have a pronounced energy production advantage under realistic spectra over 1 year. Simulated energy production increased with subcell number for the electrically independent ensembles, but it peaked at 8-10 subcells for those connected in series. As a result, electrically independent ensembles with 20 subcells produce up to 27% more energy annually than the series-connected 20-subcell ensemble. This energy production advantage persists when clouds are accounted for.« less

  12. Generalized statistical mechanics of cosmic rays: Application to positron-electron spectral indices.

    PubMed

    Yalcin, G Cigdem; Beck, Christian

    2018-01-29

    Cosmic ray energy spectra exhibit power law distributions over many orders of magnitude that are very well described by the predictions of q-generalized statistical mechanics, based on a q-generalized Hagedorn theory for transverse momentum spectra and hard QCD scattering processes. QCD at largest center of mass energies predicts the entropic index to be [Formula: see text]. Here we show that the escort duality of the nonextensive thermodynamic formalism predicts an energy split of effective temperature given by Δ [Formula: see text] MeV, where T H is the Hagedorn temperature. We carefully analyse the measured data of the AMS-02 collaboration and provide evidence that the predicted temperature split is indeed observed, leading to a different energy dependence of the e + and e - spectral indices. We also observe a distinguished energy scale E *  ≈ 50 GeV where the e + and e - spectral indices differ the most. Linear combinations of the escort and non-escort q-generalized canonical distributions yield excellent agreement with the measured AMS-02 data in the entire energy range.

  13. The acute effects of stretching with vibration on dynamic flexibility in young female gymnasts.

    PubMed

    Johnson, Aaron W; Warcup, Caisa N; Seeley, Matthew K; Eggett, Dennis; Feland, Jeffery B

    2018-01-10

    While stretching with vibration has been shown to improve static flexibility; the effect of stretching with vibration on dynamic flexibility is not well known. The purpose of this study was to examine the effectiveness of stretching with vibration on acute dynamic flexibility and jump height in novice and advanced competitive female gymnasts during a split jump. Female gymnast (n=27, age: 11.5 ± 1.7 years, Junior Olympic levels 5-10) participated in this cross-over study. Dynamic flexibility during gymnastic split jumps were video recorded and analyzed with Dartfish software. All participants completed both randomized stretching protocols with either the vibration platform turned on (VIB) (frequency of 30 Hz and 2 mm amplitude) or off (NoVIB) separated by 48 h. Participants performed 4 sets of three stretches on the vibration platform. Each stretch was held for 30 s with 5 s rest for a total of 7 min of stretch. Split jump flexibility decreased significantly from pre to post measurement in both VIB (-5.8°±5.9°) (p<0.001) and NoVIB (-2.6°±6.1°) (p=0.041) conditions (adjusted for gymnast level). This effect was greatest in lower skill level gymnasts (p=0.003), while the highest skill level gymnasts showed no significant decrease in the split jump (p=0.105). Jump height was not significantly different between conditions (p=0.892) or within groups (p=0.880). An acute session of static stretching with or without vibration immediately before performance does not alter jump height. Stretching with vibration immediately prior to gymnastics competition decreases split jump flexibility in lower level gymnasts more than upper level gymnasts.

  14. Modelling the energy balance of an anaerobic digester fed with cattle manure and renewable energy crops.

    PubMed

    Lübken, Manfred; Wichern, Marc; Schlattmann, Markus; Gronauer, Andreas; Horn, Harald

    2007-10-01

    Knowledge of the net energy production of anaerobic fermenters is important for reliable modelling of the efficiency of anaerobic digestion processes. By using the Anaerobic Digestion Model No. 1 (ADM1) the simulation of biogas production and composition is possible. This paper shows the application and modification of ADM1 to simulate energy production of the digestion of cattle manure and renewable energy crops. The paper additionally presents an energy balance model, which enables the dynamic calculation of the net energy production. The model was applied to a pilot-scale biogas reactor. It was found in a simulation study that a continuous feeding and splitting of the reactor feed into smaller heaps do not generally have a positive effect on the net energy yield. The simulation study showed that the ratio of co-substrate to liquid manure in the inflow determines the net energy production when the inflow load is split into smaller heaps. Mathematical equations are presented to calculate the increase of biogas and methane yield for the digestion of liquid manure and lipids for different feeding intervals. Calculations of different kinds of energy losses for the pilot-scale digester showed high dynamic variations, demonstrating the significance of using a dynamic energy balance model.

  15. Improved Stability and Performance of Visible Photoelectrochemical Water Splitting on Solution-Processed Organic Semiconductor Thin Films by Ultrathin Metal Oxide Passivation

    DOE PAGES

    Wang, Lei; Yan, Danhua; Shaffer, David W.; ...

    2017-12-27

    Solution-processable organic semiconductors have potentials as visible photoelectrochemical (PEC) water splitting photoelectrodes due to their tunable small band gap and electronic energy levels, but they are typically limited by poor stability and photocatalytic activity. In this study, we demonstrate the direct visible PEC water oxidation on solution-processed organic semiconductor thin films with improved stability and performance by ultrathin metal oxide passivation layers. N-type fullerene-derivative thin films passivated by sub-2 nm ZnO via atomic layer deposition enabled the visible PEC water oxidation at wavelengths longer than 600 nm in harsh alkaline electrolyte environments with up to 30 μA/cm 2 photocurrents atmore » the thermodynamic water-oxidation equilibrium potential and the photoanode half-lifetime extended to ~1000 s. The systematic investigation reveals the enhanced water oxidation catalytic activity afforded by ZnO passivation and the charge tunneling governing the hole transfer through passivation layers. Further enhanced PEC performances were realized by improving the bottom ohmic contact to the organic semiconductor, achieving ~60 μA/cm 2 water oxidation photocurrent at the equilibrium potential, the highest values reported for organic semiconductor thin films to our knowledge. The improved stability and performance of passivated organic photoelectrodes and discovered design rationales provide useful guidelines for realizing the stable visible solar PEC water splitting based on organic semiconductor thin films.« less

  16. Improved Stability and Performance of Visible Photoelectrochemical Water Splitting on Solution-Processed Organic Semiconductor Thin Films by Ultrathin Metal Oxide Passivation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Lei; Yan, Danhua; Shaffer, David W.

    Solution-processable organic semiconductors have potentials as visible photoelectrochemical (PEC) water splitting photoelectrodes due to their tunable small band gap and electronic energy levels, but they are typically limited by poor stability and photocatalytic activity. In this study, we demonstrate the direct visible PEC water oxidation on solution-processed organic semiconductor thin films with improved stability and performance by ultrathin metal oxide passivation layers. N-type fullerene-derivative thin films passivated by sub-2 nm ZnO via atomic layer deposition enabled the visible PEC water oxidation at wavelengths longer than 600 nm in harsh alkaline electrolyte environments with up to 30 μA/cm 2 photocurrents atmore » the thermodynamic water-oxidation equilibrium potential and the photoanode half-lifetime extended to ~1000 s. The systematic investigation reveals the enhanced water oxidation catalytic activity afforded by ZnO passivation and the charge tunneling governing the hole transfer through passivation layers. Further enhanced PEC performances were realized by improving the bottom ohmic contact to the organic semiconductor, achieving ~60 μA/cm 2 water oxidation photocurrent at the equilibrium potential, the highest values reported for organic semiconductor thin films to our knowledge. The improved stability and performance of passivated organic photoelectrodes and discovered design rationales provide useful guidelines for realizing the stable visible solar PEC water splitting based on organic semiconductor thin films.« less

  17. Hindered rotation and nuclear spin isomers separation of molecularly chemisorbed H2 on Pd(210)

    NASA Astrophysics Data System (ADS)

    Arguelles, Elvis F.; Kasai, Hideaki

    2018-03-01

    We investigated the hindered rotation and nuclear spin isomer separation of H2 on Pd(210) for various pre-adsorbed atomic hydrogen coverages (Θ), by total energy calculations based on density functional theory. Our results revealed that H2 is in the molecularly chemisorbed state and the adsorption is characterized by a highly anisotropic potential energy surface. Further, we found that J = 1 degenerate level splitting is insensitive to the increase in Θ from 1 to 2 ML. This is due to the comparable potential strengths hindering/restricting the polar rotations in both coverages. On a fully H passivated (3 ML) Pd(210), H2 is in a weakly physisorbed state with a negligible potential anisotropy. Our findings suggest that the activation barrier for polar rotational motion does not strongly depend on the adsorption energy but rather on the surface-molecule bond. The estimated rotational state desorption energies show a separation of ortho and para isomers by around 7.0 meV.

  18. Hydrogen bonding in malonaldehyde: a density functional and reparametrized semiempirical approach

    NASA Astrophysics Data System (ADS)

    Kovačević, Goran; Hrenar, Tomica; Došlić, Nadja

    2003-08-01

    Intramolecular proton transfer in malonaldehyde (MA) has been investigated by density functional theory (DFT). The DFT results were used for the construction of a high quality semiempirical potential energy surface with a reparametrized PM3 Hamiltonian. A two-step reparameterization procedure is proposed in which (i) the PM3-MAIS core-core functions for the O-H and H-H interactions were used and a new functional form for the O-O correction function was proposed and (ii) a set of specific reaction parameters (SRP) has been obtained via genetic algorithm optimization. The quality of the reparametrized semiempirical potential energy surfaces was tested by calculating the tunneling splitting of vibrational levels and the anharmonic vibrational frequencies of the system. The applicability to multi-dimensional dynamics in large molecular systems is discussed.

  19. Facile Preparation of Porous WO3 Film for Photoelectrochemical Splitting of Natural Seawater

    NASA Astrophysics Data System (ADS)

    Shi, Yonghong; Li, Yuangang; Wei, Xiaoliang; Feng, Juan; Li, Huajing; Zhou, Wanyi

    2017-12-01

    Sunlight-driven natural seawater splitting provides a promising way for large-scale conversion and storage of solar energy. Here, we develop a facile and low-cost method via a deposition-annealing technique to fabricate porous WO3 film and demonstrate its application as a photoanode for natural seawater splitting. The WO3 film yields a photocurrent density of 1.95 mA cm-2 and possesses excellent stability at 1.23 V (versus RHE), under the illumination of 100 mW cm-2 (AM 1.5G). The photoelectrochemical performance is ascribed to the large surface area and good permeation of the electrolyte into the porous film. Furthermore, the photocurrent density remains almost the same during 3 h continuous light irradiation. The evolution of chlorine gas from seawater splitting was determined with qualitative and quantitative analyses, with a Faradic efficiency of about 56%.

  20. Enabling unassisted solar water splitting by iron oxide and silicon

    DOE PAGES

    Jang, Ji-Wook; Du, Chun; Ye, Yifan; ...

    2015-06-16

    A solution for large-scale solar energy storage is photoelectrochemical (PEC) water splitting. However, its development has been impeded by the poor performance of photoanodes, particularly in their capability for photovoltage generation. Many examples employing photovoltaic modules to correct the deficiency for unassisted solar water splitting have been reported to-date. We show that, by using the prototypical photoanode material of haematite as a study tool, structural disorders on or near the surfaces are important causes of the low photovoltages. We develop a facile re-growth strategy to reduce surface disorders and as a consequence, a turn-on voltage of 0.45 V (versus reversiblemore » hydrogen electrode) is achieved. In conclusion, this result permits us to construct a photoelectrochemical device with a haematite photoanode and Si photocathode to split water at an overall efficiency of 0.91%, with NiFeOx and TiO2/Pt overlayers, respectively.« less

  1. Modeling habitat split: landscape and life history traits determine amphibian extinction thresholds.

    PubMed

    Fonseca, Carlos Roberto; Coutinho, Renato M; Azevedo, Franciane; Berbert, Juliana M; Corso, Gilberto; Kraenkel, Roberto A

    2013-01-01

    Habitat split is a major force behind the worldwide decline of amphibian populations, causing community change in richness and species composition. In fragmented landscapes, natural remnants, the terrestrial habitat of the adults, are frequently separated from streams, the aquatic habitat of the larvae. An important question is how this landscape configuration affects population levels and if it can drive species to extinction locally. Here, we put forward the first theoretical model on habitat split which is particularly concerned on how split distance - the distance between the two required habitats - affects population size and persistence in isolated fragments. Our diffusive model shows that habitat split alone is able to generate extinction thresholds. Fragments occurring between the aquatic habitat and a given critical split distance are expected to hold viable populations, while fragments located farther away are expected to be unoccupied. Species with higher reproductive success and higher diffusion rate of post-metamorphic youngs are expected to have farther critical split distances. Furthermore, the model indicates that negative effects of habitat split are poorly compensated by positive effects of fragment size. The habitat split model improves our understanding about spatially structured populations and has relevant implications for landscape design for conservation. It puts on a firm theoretical basis the relation between habitat split and the decline of amphibian populations.

  2. Toward a High-Efficient Utilization of Solar Radiation by Quad-Band Solar Spectral Splitting.

    PubMed

    Cao, Feng; Huang, Yi; Tang, Lu; Sun, Tianyi; Boriskina, Svetlana V; Chen, Gang; Ren, Zhifeng

    2016-12-01

    The promising quad-band solar spectral splitter incorporates the properties of the optical filter and the spectrally selective solar thermal absorber can direct PV band to PV modules and absorb thermal band energy for thermal process with low thermal losses. It provides a new strategy for spectral splitting and offers potential ways for hybrid PVT system design. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Anode reactive bleed and injector shift control strategy

    DOEpatents

    Cai, Jun [Rochester, NY; Chowdhury, Akbar [Pittsford, NY; Lerner, Seth E [Honeoye Falls, NY; Marley, William S [Rush, NY; Savage, David R [Rochester, NY; Leary, James K [Rochester, NY

    2012-01-03

    A system and method for correcting a large fuel cell voltage spread for a split sub-stack fuel cell system. The system includes a hydrogen source that provides hydrogen to each split sub-stack and bleed valves for bleeding the anode side of the sub-stacks. The system also includes a voltage measuring device for measuring the voltage of each cell in the split sub-stacks. The system provides two levels for correcting a large stack voltage spread problem. The first level includes sending fresh hydrogen to the weak sub-stack well before a normal reactive bleed would occur, and the second level includes sending fresh hydrogen to the weak sub-stack and opening the bleed valve of the other sub-stack when the cell voltage spread is close to stack failure.

  4. Vacuum-induced Autler-Townes splitting in a superconducting artificial atom

    NASA Astrophysics Data System (ADS)

    Peng, Z. H.; Ding, J. H.; Zhou, Y.; Ying, L. L.; Wang, Z.; Zhou, L.; Kuang, L. M.; Liu, Yu-xi; Astafiev, O. V.; Tsai, J. S.

    2018-06-01

    We experimentally study a vacuum-induced Autler-Townes doublet in a superconducting three-level artificial atom strongly coupled to a coplanar waveguide resonator and simultaneously to a transmission line. The Autler-Townes splitting is observed in the reflection spectrum from the three-level atom in a transition between the ground state and the second excited state when the transition between the two excited states is resonant with a resonator. By applying a driving field to the resonator, we observe a change in the regime of the Autler-Townes splitting from quantum (vacuum-induced) to classical (with many resonator photons). Furthermore, we show that the reflection of propagating microwaves in a transmission line could be controlled by different frequency microwave fields at the single-photon level in a resonator.

  5. Andreev spectrum with high spin-orbit interactions: Revealing spin splitting and topologically protected crossings

    NASA Astrophysics Data System (ADS)

    Murani, A.; Chepelianskii, A.; Guéron, S.; Bouchiat, H.

    2017-10-01

    In order to point out experimentally accessible signatures of spin-orbit interaction, we investigate numerically the Andreev spectrum of a multichannel mesoscopic quantum wire (N) with high spin-orbit interaction coupled to superconducting electrodes (S), contrasting topological and nontopological behaviors. In the nontopological case (square lattice with Rashba interactions), we find that the Kramers degeneracy of Andreev levels is lifted by a phase difference between the S reservoirs except at multiples of π , when the normal quantum wires can host several conduction channels. The level crossings at these points invariant by time-reversal symmetry are not lifted by disorder. Whereas the dc Josephson current is insensitive to these level crossings, the high-frequency admittance (susceptibility) at finite temperature reveals these level crossings and the lifting of their degeneracy at π by a small Zeeman field. We have also investigated the hexagonal lattice with intrinsic spin-orbit interaction in the range of parameters where it is a two-dimensional topological insulator with one-dimensional helical edges protected against disorder. Nontopological superconducting contacts can induce topological superconductivity in this system characterized by zero-energy level crossing of Andreev levels. Both Josephson current and finite-frequency admittance carry then very specific signatures at low temperature of this disorder-protected Andreev level crossing at π and zero energy.

  6. Modelling heterogeneous interfaces for solar water splitting

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pham, Tuan Anh; Ping, Yuan; Galli, Giulia

    2017-01-09

    The generation of hydrogen from water and sunlight others a promising approach for producing scalable and sustainable carbon-free energy. The key of a successful solar-to-fuel technology is the design of efficient, long-lasting and low-cost photoelectrochemical cells, which are responsible for absorbing sunlight and driving water splitting reactions. To this end, a detailed understanding and control of heterogeneous interfaces between photoabsorbers, electrolytes and catalysts present in photoelectrochemical cells is essential. Here we review recent progress and open challenges in predicting physicochemical properties of heterogeneous interfaces for solar water splitting applications using first-principles-based approaches, and highlights the key role of these calculationsmore » in interpreting increasingly complex experiments.« less

  7. Metal-dielectric composites for beam splitting and far-field deep sub-wavelength resolution for visible wavelengths.

    PubMed

    Yan, Changchun; Zhang, Dao Hua; Zhang, Yuan; Li, Dongdong; Fiddy, M A

    2010-07-05

    We report beam splitting in a metamaterial composed of a silver-alumina composite covered by a layer of chromium containing one slit. By simulating distributions of energy flow in the metamaterial for H-polarized waves, we find that the beam splitting occurs when the width of the slit is shorter than the wavelength, which is conducive to making a beam splitter in sub-wavelength photonic devices. We also find that the metamaterial possesses deep sub-wavelength resolution capabilities in the far field when there are two slits and the central silver layer is at least 36 nm in thickness, which has potential applications in superresolution imaging.

  8. Rashba effect in an asymmetric quantum dot in a magnetic field

    NASA Astrophysics Data System (ADS)

    Bandyopadhyay, S.; Cahay, M.

    2002-12-01

    We derive an expression for the total spin-splitting energy in an asymmetric quantum dot with ferromagnetic contacts, subjected to a transverse electric field. Such a structure has been shown by one of us to act as a spintronic quantum gate with in-built qubit readers and writers (Phys. Rev. B61, 13813 (2000)). The ferromagnetic contacts result in a magnetic field that causes a Zeeman splitting of the electronic states in the quantum dot. We show that this Zeeman splitting can be finely tuned with a transverse electric field as a result of nonvanishing Rashba spin-orbit coupling in an asymmetric quantum dot. This feature is critical for implementing a quantum gate.

  9. Efficient solar water-splitting using a nanocrystalline CoO photocatalyst

    NASA Astrophysics Data System (ADS)

    Liao, Longb; Zhang, Qiuhui; Su, Zhihua; Zhao, Zhongzheng; Wang, Yanan; Li, Yang; Lu, Xiaoxiang; Wei, Dongguang; Feng, Guoying; Yu, Qingkai; Cai, Xiaojun; Zhao, Jimin; Ren, Zhifeng; Fang, Hui; Robles-Hernandez, Francisco; Baldelli, Steven; Bao, Jiming

    2014-01-01

    The generation of hydrogen from water using sunlight could potentially form the basis of a clean and renewable source of energy. Various water-splitting methods have been investigated previously, but the use of photocatalysts to split water into stoichiometric amounts of H2 and O2 (overall water splitting) without the use of external bias or sacrificial reagents is of particular interest because of its simplicity and potential low cost of operation. However, despite progress in the past decade, semiconductor water-splitting photocatalysts (such as (Ga1-xZnx)(N1-xOx)) do not exhibit good activity beyond 440 nm (refs 1,2,9) and water-splitting devices that can harvest visible light typically have a low solar-to-hydrogen efficiency of around 0.1%. Here we show that cobalt(II) oxide (CoO) nanoparticles can carry out overall water splitting with a solar-to-hydrogen efficiency of around 5%. The photocatalysts were synthesized from non-active CoO micropowders using two distinct methods (femtosecond laser ablation and mechanical ball milling), and the CoO nanoparticles that result can decompose pure water under visible-light irradiation without any co-catalysts or sacrificial reagents. Using electrochemical impedance spectroscopy, we show that the high photocatalytic activity of the nanoparticles arises from a significant shift in the position of the band edge of the material.

  10. Lateral Interactions in Monolayer Thick Mercury Films

    NASA Astrophysics Data System (ADS)

    Kime, Yolanda Jan

    An understanding of lateral adatom-adatom interactions is often an important part of understanding electronic structure and adsorption energetics in monolayer thick films. In this dissertation I use angle-resolved photoemission and thermal desorption spectroscopies to explore the relationship between the adatom-adatom interaction and other characteristics of the adlayer, such as electronic structure, defects, or coexistent structural phases in the adlayer. Since Hg binds weakly to many substrates, the lateral interactions are often a major contribution to the dynamics of the overlayer. Hg adlayer systems are thus ideal for probing lateral interactions. The electronic structures of Hg adlayers on Ag(100), Cu(100), and Cu_3Au(100) are studied with angle-resolved ultraviolet photoemission. The Hg atomic 5d_{5/2} electronic band is observed to split into two levels following adsorption onto some surfaces. The energetic splitting of the Hg 5d_{5/2} level is found to be directly correlated to the adlayer homogeneous strain energy. The existence of the split off level also depends on the order or disorder of the Hg adlayer. The energetics of Hg adsorption on Cu(100) are probed using thermal desorption spectroscopy. Two different ordered adlayer structures are observed for Hg adsorption on Cu(100) at 200 K. Under some adsorption conditions and over a range of exposures, the two phases are seen to coexist on the surface prior to the thermal desorption process. A phase transition from the more dense to the less dense phase is observed to occur during the thermal desorption process. Inherent differences in defect densities are responsible for the observed differences between lateral interactions measured previously with equilibrium (atom beam scattering) and as measured by the non-equilibrium (thermal desorption) technique reported here. Theoretical and experimental evidence for an indirect through-metal interaction between adatoms is also discussed. Although through-metal interactions may play a role in some adsorption systems, there is little compelling evidence that this effect is significant in many experimental reports where the through metal bond is invoked.

  11. Assessing Risk-Based Policies for Pretrial Release and Split Sentencing in Los Angeles County Jails

    PubMed Central

    Usta, Mericcan; Wein, Lawrence M.

    2015-01-01

    Court-mandated downsizing of the CA prison system has led to a redistribution of detainees from prisons to CA county jails, and subsequent jail overcrowding. Using data that is representative of the LA County jail system, we build a mathematical model that tracks the flow of individuals during arraignment, pretrial release or detention, case disposition, jail sentence, and possible recidivism during pretrial release, after a failure to appear in court, during non-felony probation and during felony supervision. We assess 64 joint pretrial release and split-sentencing (where low-level felon sentences are split between jail time and mandatory supervision) policies that are based on the type of charge (felony or non-felony) and the risk category as determined by the CA Static Risk Assessment tool, and compare their performance to that of the policy LA County used in early 2014, before split sentencing was in use. In our model, policies that offer split sentences to all low-level felons optimize the key tradeoff between public safety and jail congestion by, e.g., simultaneously reducing the rearrest rate by 7% and the mean jail population by 20% relative to the policy LA County used in 2014. The effectiveness of split sentencing is due to two facts: (i) convicted felony offenders comprised ≈ 45% of LA County’s jail population in 2014, and (ii) compared to pretrial release, split sentencing exposes offenders to much less time under recidivism risk per saved jail day. PMID:26714283

  12. Assessing Risk-Based Policies for Pretrial Release and Split Sentencing in Los Angeles County Jails.

    PubMed

    Usta, Mericcan; Wein, Lawrence M

    2015-01-01

    Court-mandated downsizing of the CA prison system has led to a redistribution of detainees from prisons to CA county jails, and subsequent jail overcrowding. Using data that is representative of the LA County jail system, we build a mathematical model that tracks the flow of individuals during arraignment, pretrial release or detention, case disposition, jail sentence, and possible recidivism during pretrial release, after a failure to appear in court, during non-felony probation and during felony supervision. We assess 64 joint pretrial release and split-sentencing (where low-level felon sentences are split between jail time and mandatory supervision) policies that are based on the type of charge (felony or non-felony) and the risk category as determined by the CA Static Risk Assessment tool, and compare their performance to that of the policy LA County used in early 2014, before split sentencing was in use. In our model, policies that offer split sentences to all low-level felons optimize the key tradeoff between public safety and jail congestion by, e.g., simultaneously reducing the rearrest rate by 7% and the mean jail population by 20% relative to the policy LA County used in 2014. The effectiveness of split sentencing is due to two facts: (i) convicted felony offenders comprised ≈ 45% of LA County's jail population in 2014, and (ii) compared to pretrial release, split sentencing exposes offenders to much less time under recidivism risk per saved jail day.

  13. Valley Zeeman splitting of monolayer MoS2 probed by low-field magnetic circular dichroism spectroscopy at room temperature

    NASA Astrophysics Data System (ADS)

    Wu, Y. J.; Shen, C.; Tan, Q. H.; Shi, J.; Liu, X. F.; Wu, Z. H.; Zhang, J.; Tan, P. H.; Zheng, H. Z.

    2018-04-01

    The valley Zeeman splitting of monolayer two-dimensional (2D) materials in the magnetic field plays an important role in the valley and spin manipulations. In general, a high magnetic field (6-65 T) and low temperature (2-30 K) were two key measurement conditions to observe the resolvable valley Zeeman splitting of monolayer 2D materials in current reported experiments. In this study, we experimentally demonstrate an effective measurement scheme by employing magnetic circular dichroism (MCD) spectroscopy, which enables us to distinguish the valley Zeeman splitting under a relatively low magnetic field of 1 T at room temperature. MCD peaks related to both A and B excitonic transitions in monolayer MoS2 can be clearly observed. Based on the MCD spectra under different magnetic fields (-3 to 3 T), we obtained the valley Zeeman splitting energy and the g-factors of A and B excitons, respectively. Our results show that MCD spectroscopy is a high-sensitive magneto-optical technique to explore the valley and spin manipulation in 2D materials.

  14. Two-loop mass splittings in electroweak multiplets: Winos and minimal dark matter

    NASA Astrophysics Data System (ADS)

    McKay, James; Scott, Pat

    2018-03-01

    The radiatively-induced splitting of masses in electroweak multiplets is relevant for both collider phenomenology and dark matter. Precision two-loop corrections of O (MeV ) to the triplet mass splitting in the wino limit of the minimal supersymmetric standard model can affect particle lifetimes by up to 40%. We improve on previous two-loop self-energy calculations for the wino model by obtaining consistent input parameters to the calculation via two-loop renormalization-group running, and including the effect of finite light quark masses. We also present the first two-loop calculation of the mass splitting in an electroweak fermionic quintuplet, corresponding to the viable form of minimal dark matter (MDM). We place significant constraints on the lifetimes of the charged and doubly-charged fermions in this model. We find that the two-loop mass splittings in the MDM quintuplet are not constant in the large-mass limit, as might naively be expected from the triplet calculation. This is due to the influence of the additional heavy fermions in loop corrections to the gauge boson propagators.

  15. Plasmon inducing effects for enhanced photoelectrochemical water splitting: X-ray absorption approach to electronic structures.

    PubMed

    Chen, Hao Ming; Chen, Chih Kai; Chen, Chih-Jung; Cheng, Liang-Chien; Wu, Pin Chieh; Cheng, Bo Han; Ho, You Zhe; Tseng, Ming Lun; Hsu, Ying-Ya; Chan, Ting-Shan; Lee, Jyh-Fu; Liu, Ru-Shi; Tsai, Din Ping

    2012-08-28

    Artificial photosynthesis using semiconductors has been investigated for more than three decades for the purpose of transferring solar energy into chemical fuels. Numerous studies have revealed that the introduction of plasmonic materials into photochemical reaction can substantially enhance the photo response to the solar splitting of water. Until recently, few systematic studies have provided clear evidence concerning how plasmon excitation and which factor dominates the solar splitting of water in photovoltaic devices. This work demonstrates the effects of plasmons upon an Au nanostructure-ZnO nanorods array as a photoanode. Several strategies have been successfully adopted to reveal the mutually independent contributions of various plasmonic effects under solar irradiation. These have clarified that the coupling of hot electrons that are formed by plasmons and the electromagnetic field can effectively increase the probability of a photochemical reaction in the splitting of water. These findings support a new approach to investigating localized plasmon-induced effects and charge separation in photoelectrochemical processes, and solar water splitting was used herein as platform to explore mechanisms of enhancement of surface plasmon resonance.

  16. Conceptual Design and Optimal Power Control Strategy for AN Eco-Friendly Hybrid Vehicle

    NASA Astrophysics Data System (ADS)

    Nasiri, N. Mir; Chieng, Frederick T. A.

    2011-06-01

    This paper presents a new concept for a hybrid vehicle using a torque and speed splitting technique. It is implemented by the newly developed controller in combination with a two degree of freedom epicyclic gear transmission. This approach enables optimization of the power split between the less powerful electrical motor and more powerful engine while driving a car load. The power split is fundamentally a dual-energy integration mechanism as it is implemented by using the epicyclic gear transmission that has two inputs and one output for a proper power distribution. The developed power split control system manages the operation of both the inputs to have a known output with the condition of maintaining optimum operating efficiency of the internal combustion engine and electrical motor. This system has a huge potential as it is possible to integrate all the features of hybrid vehicle known to-date such as the regenerative braking system, series hybrid, parallel hybrid, series/parallel hybrid, and even complex hybrid (bidirectional). By using the new power split system it is possible to further reduce fuel consumption and increase overall efficiency.

  17. Tunable Resonance Coupling in Single Si Nanoparticle-Monolayer WS2 Structures.

    PubMed

    Lepeshov, Sergey; Wang, Mingsong; Krasnok, Alex; Kotov, Oleg; Zhang, Tianyi; Liu, He; Jiang, Taizhi; Korgel, Brian; Terrones, Mauricio; Zheng, Yuebing; Alú, Andrea

    2018-05-16

    Two-dimensional semiconducting transition metal dichalcogenides (TMDCs) are extremely attractive materials for optoelectronic applications in the visible and near-infrared range. Coupling these materials to optical nanocavities enables advanced quantum optics and nanophotonic devices. Here, we address the issue of resonance coupling in hybrid exciton-polariton structures based on single Si nanoparticles (NPs) coupled to monolayer (1L)-WS 2 . We predict a strong coupling regime with a Rabi splitting energy exceeding 110 meV for a Si NP covered by 1L-WS 2 at the magnetic optical Mie resonance because of the symmetry of the mode. Further, we achieve a large enhancement in the Rabi splitting energy up to 208 meV by changing the surrounding dielectric material from air to water. The prediction is based on the experimental estimation of TMDC dipole moment variation obtained from the measured photoluminescence spectra of 1L-WS 2 in different solvents. An ability of such a system to tune the resonance coupling is realized experimentally for optically resonant spherical Si NPs placed on 1L-WS 2 . The Rabi splitting energy obtained for this scenario increases from 49.6 to 86.6 meV after replacing air by water. Our findings pave the way to develop high-efficiency optoelectronic, nanophotonic, and quantum optical devices.

  18. Off-axis holographic lens spectrum-splitting photovoltaic system for direct and diffuse solar energy conversion.

    PubMed

    Vorndran, Shelby D; Chrysler, Benjamin; Wheelwright, Brian; Angel, Roger; Holman, Zachary; Kostuk, Raymond

    2016-09-20

    This paper describes a high-efficiency, spectrum-splitting photovoltaic module that uses an off-axis volume holographic lens to focus and disperse incident solar illumination to a rectangular shaped high-bandgap indium gallium phosphide cell surrounded by strips of silicon cells. The holographic lens design allows efficient collection of both direct and diffuse illumination to maximize energy yield. We modeled the volume diffraction characteristics using rigorous coupled-wave analysis, and simulated system performance using nonsequential ray tracing and PV cell data from the literature. Under AM 1.5 illumination conditions the simulated module obtained a 30.6% conversion efficiency. This efficiency is a 19.7% relative improvement compared to the more efficient cell in the system (silicon). The module was also simulated under a typical meteorological year of direct and diffuse irradiance in Tucson, Arizona, and Seattle, Washington. Compared to a flat panel silicon module, the holographic spectrum splitting module obtained a relative improvement in energy yield of 17.1% in Tucson and 14.0% in Seattle. An experimental proof-of-concept volume holographic lens was also fabricated in dichromated gelatin to verify the main characteristics of the system. The lens obtained an average first-order diffraction efficiency of 85.4% across the aperture at 532 nm.

  19. New Insight into the Angle Insensitivity of Ultrathin Planar Optical Absorbers for Broadband Solar Energy Harvesting.

    PubMed

    Liu, Dong; Yu, Haitong; Duan, Yuanyuan; Li, Qiang; Xuan, Yimin

    2016-09-01

    Two challenging problems still remain for optical absorbers consisting of an ultrathin planar semiconductor film on top of an opaque metallic substrate. One is the angle-insensitive mechanism and the other is the system design needed for broadband solar energy harvesting. Here, first we theoretically demonstrates that the high refractive index, instead of the ultrathin feature as reported in previous studies, is the physical origin of the angle insensitivity for ultrathin planar optical absorbers. They exhibit omnidirectional resonance for TE polarization due to the high complex refractive index difference between the semiconductor and the air, while for TM polarization the angle insensitivity persists up to an incident angle related to the semiconductor refractive index. These findings were validated by fabricating and characterizing an 18 nm Ge/Ag absorber sample (representative of small band gap semiconductors for photovoltaic applications) and a 22 nm hematite/Ag sample (representative of large band gap semiconductors for photoelectrochemical applications). Then, we took advantage of angle insensitivity and designed a spectrum splitting configuration for broadband solar energy harvesting. The cascaded solar cell and unassisted solar water splitting systems have photovoltaic and photoelectrochemical cells that are also spectrum splitters, so an external spectrum splitting element is not needed.

  20. Ab initio molecular dynamics investigations of low-energy recoil events in Ni and NiCo

    DOE PAGES

    Liu, Bin; Yuan, Fenglin; Jin, Ke; ...

    2015-10-06

    Low-energy recoil events in pure Ni and the equiatomic NiCo alloy are studied using ab initio molecular dynamics simulations. We found that the threshold displacement energies are strongly dependent on orientation and weakly dependent on composition. The minimum threshold displacement energies are along the [1 1 0] direction in both pure Ni and the NiCo alloy. Compared to pure Ni, the threshold displacement energies increase slightly in the NiCo alloy due to stronger bonds in the alloy, irrespective of the element type of the PKA. A single Ni interstitial occupying the center of a tetrahedron formed by four Ni atomsmore » and a <1 0 0> split interstitial is produced in pure Ni by the recoils, while only the <1 0 0> split interstitial is formed in the NiCo alloy. Compared to the replacement sequences in pure Ni, anti-site defect sequences are observed in the alloy, which have high efficiency for both producing defects and transporting energy outside of the cascade core. These results provide insights into energy transfer processes occurring in equiatomic alloys under irradiation.« less

  1. Energetics and mechanics for partial gravity locomotion.

    PubMed

    Newman, D J; Alexander, H L; Webbon, B W

    1994-09-01

    The role of gravitational acceleration on human locomotion is not clearly understood. It is hypothesized that the mechanics and energetics of locomotion depend upon the prevailing gravity level. A unique human-rated underwater treadmill and an adjustable ballasting harness were used to stimulate partial gravity environments. This study has two research aspects, biomechanics and energetics. Vertical forces which are exerted by subjects on the treadmill-mounted, split-plate force platform show that peak vertical force and stride frequency significantly decrease (p < 0.05) as the gravity level is reduced, while ground contact time is independent of gravity level. A loping gait is employed over a wide range of speeds (approximately 1.5 m/s to approximately 2.3 m/s) suggesting a change in the mechanics for lunar (1/6 G) and Martian (3/8 G) locomotion. As theory predicts, locomotion energy requirements for partial gravity levels are significantly less than at 1 G (p < 0.05).

  2. Maximal Rashba-like spin splitting via kinetic-energy-coupled inversion-symmetry breaking

    NASA Astrophysics Data System (ADS)

    Sunko, Veronika; Rosner, H.; Kushwaha, P.; Khim, S.; Mazzola, F.; Bawden, L.; Clark, O. J.; Riley, J. M.; Kasinathan, D.; Haverkort, M. W.; Kim, T. K.; Hoesch, M.; Fujii, J.; Vobornik, I.; MacKenzie, A. P.; King, P. D. C.

    2017-09-01

    Engineering and enhancing the breaking of inversion symmetry in solids—that is, allowing electrons to differentiate between ‘up’ and ‘down’—is a key goal in condensed-matter physics and materials science because it can be used to stabilize states that are of fundamental interest and also have potential practical applications. Examples include improved ferroelectrics for memory devices and materials that host Majorana zero modes for quantum computing. Although inversion symmetry is naturally broken in several crystalline environments, such as at surfaces and interfaces, maximizing the influence of this effect on the electronic states of interest remains a challenge. Here we present a mechanism for realizing a much larger coupling of inversion-symmetry breaking to itinerant surface electrons than is typically achieved. The key element is a pronounced asymmetry of surface hopping energies—that is, a kinetic-energy-coupled inversion-symmetry breaking, the energy scale of which is a substantial fraction of the bandwidth. Using spin- and angle-resolved photoemission spectroscopy, we demonstrate that such a strong inversion-symmetry breaking, when combined with spin-orbit interactions, can mediate Rashba-like spin splittings that are much larger than would typically be expected. The energy scale of the inversion-symmetry breaking that we achieve is so large that the spin splitting in the CoO2- and RhO2-derived surface states of delafossite oxides becomes controlled by the full atomic spin-orbit coupling of the 3d and 4d transition metals, resulting in some of the largest known Rashba-like spin splittings. The core structural building blocks that facilitate the bandwidth-scaled inversion-symmetry breaking are common to numerous materials. Our findings therefore provide opportunities for creating spin-textured states and suggest routes to interfacial control of inversion-symmetry breaking in designer heterostructures of oxides and other material classes.

  3. Building America Case Study: Supplemental Ductless Mini-Split Heat Pump in the Hot-Humid Climate, Brevard and Volusia Counties, Florida

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    "The BAPIRC team and Florida Power and Light (FPL) electric utility pursued a pilot phased energy-efficiency retrofit program in Florida by creating detailed data on the energy and economic performance of two levels of retrofit - simple and deep. For this Phased Deep Retrofit (PDR) project, a total of 56 homes spread across the utility partner's territory in east central Florida, southeast Florida, and southwest Florida were instrumented between August 2012 and January 2013, and received simple pass-through retrofit measures during the period of March 2013 - June 2013. Ten of these homes received a deeper package of retrofits duringmore » August 2013 - December 2013. A full account of Phase I of this project, including detailed home details and characterization, is found in Parker et al, 2015 (currently in draft). Phase II of this project, which is the focus of this report, applied the following additional retrofit measures to select homes that received a shallow retrofit in Phase I: supplemental mini-split heat pump (MSHP) (6 homes), ducted and space coupled heat pump water heater (8 homes), exterior insulation finish system (EIFS) (1 homes), window retrofit (3 homes), smart thermostat (21 homes: 19 NESTs; 2 Lyrics), heat pump clothes dryer (8 homes), and variable speed pool pump (5 homes).« less

  4. Intramolecular and Lattice Dynamics in V6-nIVVnV O7(OCH3)12 Crystal

    NASA Astrophysics Data System (ADS)

    Yablokov, Yu. V.; Augustyniak-Jabłokow, M. A.; Borshch, S.; Daniel, C.; Hartl, H.

    2006-08-01

    Multi-nuclear mixed-valence clusters V4IVV2VO7(OCH3)12 were studied by X-band EPR in the temperature range 4.2-300 K. An isotropic exchange interactions between four VIV ions with individual spin Si=1/2 determine the energy levels structure of the compound with the total spin states S=0, 1, and 2, which are doubled and split due to the extra electron transfer. The spin-Hamiltonian approach was used for the analysis of the temperature dependences of the EPR spectra parameters and the cluster dynamics. Two types of the electron transfer are assumed: the single jump transfer leading to the splitting of the total spin states by intervals comparable in magnitude with the exchange parameter J≈100-150cm-1 and the double jump one resulting in dynamics. The dependence of the transition ratesνtr on the energy of the total spin states was observed. In particular, in the range 300-220 K the νtr ≈0.7×1010 cm-1 and below 180 K the νtr≈1×1010 cm-1 was estimated. The g-factors of the spin states were shown to depend on the values of the intermediate spins. A phase transition in the T-range 210-180 K leading to the change in the initial VIV ions localization was discovered.

  5. Rotational Spectrum of Sarin.

    PubMed

    Walker, A. R. Hight; Suenram, R. D.; Samuels, Alan; Jensen, James; Ellzy, Michael W.; Lochner, J. Michael; Zeroka, Daniel

    2001-05-01

    As part of an effort to examine the possibility of using molecular-beam Fourier-transform microwave spectroscopy to unambiguously detect and monitor chemical warfare agents, we report the first observation and assignment of the rotational spectrum of the nerve agent Sarin (GB) (Methylphosphonofluoridic acid 1-methyl-ethyl ester, CAS #107-44-8) at frequencies between 10 and 22 GHz. Only one of the two low-energy conformers of this organophosphorus compound (C(4)H(10)FO(2)P) was observed in the rotationally cold (T(rot)<2 K) molecular beam. The experimental asymmetric-rotor ground-state rotational constants of this conformer are A=2874.0710(9) MHz, B=1168.5776(4) MHz, C=1056.3363(4) MHz (Type A standard uncertainties are given, i.e., 1sigma), as obtained from a least-squares analysis of 74 a-, b-, and c-type rotational transitions. Several of the transitions are split into doublets due to the internal rotation of the methyl group attached to the phosphorus. The three-fold-symmetry barrier to internal rotation estimated from these splittings is 677.0(4) cm(-1). Ab initio electronic structure calculations using Hartree-Fock, density functional, and Moller-Plesset perturbation theories have also been made. The structure of the lowest-energy conformer determined from a structural optimization at the MP2/6-311G(**) level of theory is consistent with our experimental findings. Copyright 2001 Academic Press.

  6. Rotational Spectrum of Sarin

    NASA Astrophysics Data System (ADS)

    Walker, A. R. Hight; Suenram, R. D.; Samuels, Alan; Jensen, James; Ellzy, Michael W.; Lochner, J. Michael; Zeroka, Daniel

    2001-05-01

    As part of an effort to examine the possibility of using molecular-beam Fourier-transform microwave spectroscopy to unambiguously detect and monitor chemical warfare agents, we report the first observation and assignment of the rotational spectrum of the nerve agent Sarin (GB) (Methylphosphonofluoridic acid 1-methyl-ethyl ester, CAS #107-44-8) at frequencies between 10 and 22 GHz. Only one of the two low-energy conformers of this organophosphorus compound (C4H10FO2P) was observed in the rotationally cold (Trot<2 K) molecular beam. The experimental asymmetric-rotor ground-state rotational constants of this conformer are A=2874.0710(9) MHz, B=1168.5776(4) MHz, C=1056.3363(4) MHz (Type A standard uncertainties are given, i.e., 1σ), as obtained from a least-squares analysis of 74 a-, b-, and c-type rotational transitions. Several of the transitions are split into doublets due to the internal rotation of the methyl group attached to the phosphorus. The three-fold-symmetry barrier to internal rotation estimated from these splittings is 677.0(4) cm-1. Ab initio electronic structure calculations using Hartree-Fock, density functional, and Moller-Plesset perturbation theories have also been made. The structure of the lowest-energy conformer determined from a structural optimization at the MP2/6-311G** level of theory is consistent with our experimental findings.

  7. A Variational Monte Carlo Approach to Atomic Structure

    ERIC Educational Resources Information Center

    Davis, Stephen L.

    2007-01-01

    The practicality and usefulness of variational Monte Carlo calculations to atomic structure are demonstrated. It is found to succeed in quantitatively illustrating electron shielding, effective nuclear charge, l-dependence of the orbital energies, and singlet-tripetenergy splitting and ionization energy trends in atomic structure theory.

  8. The High Cost of Saving Energy Dollars.

    ERIC Educational Resources Information Center

    Rose, Patricia

    1985-01-01

    In alternative financing a private company provides the capital and expertise for improving school energy efficiency. Savings are split between the school system and the company. Options for municipal leasing, cost sharing, and shared savings are explained along with financial, procedural, and legal considerations. (MLF)

  9. Stable, non-dissipative, and conservative flux-reconstruction schemes in split forms

    NASA Astrophysics Data System (ADS)

    Abe, Yoshiaki; Morinaka, Issei; Haga, Takanori; Nonomura, Taku; Shibata, Hisaichi; Miyaji, Koji

    2018-01-01

    A stable, non-dissipative, and conservative flux-reconstruction (FR) scheme is constructed and demonstrated for the compressible Euler and Navier-Stokes equations. A proposed FR framework adopts a split form (also known as the skew-symmetric form) for convective terms. Sufficient conditions to satisfy both the primary conservation (PC) and kinetic energy preservation (KEP) properties are rigorously derived by polynomial-based analysis for a general FR framework. It is found that the split form needs to be expressed in the PC split form or KEP split form to satisfy each property in discrete sense. The PC split form is retrieved from existing general forms (Kennedy and Gruber [33]); in contrast, we have newly introduced the KEP split form as a comprehensive form constituting a KEP scheme in the FR framework. Furthermore, Gauss-Lobatto (GL) solution points and g2 correction function are required to satisfy the KEP property while any correction functions are available for the PC property. The split-form FR framework to satisfy the KEP property, eventually, is similar to the split-form DGSEM-GL method proposed by Gassner [23], but which, in this study, is derived solely by polynomial-based analysis without explicitly using the diagonal-norm SBP property. Based on a series of numerical tests (e.g., Sod shock tube), both the PC and KEP properties have been verified. We have also demonstrated that using a non-dissipative KEP flux, a sixteenth-order (p15) simulation of the viscous Taylor-Green vortex (Re = 1 , 600) is stable and its results are free of unphysical oscillations on relatively coarse mesh (total number of degrees of freedom (DoFs) is 1283).

  10. Monitoring the biomechanics of a wheelchair sprinter racing the 100 m final at the 2016 Paralympic Games

    NASA Astrophysics Data System (ADS)

    Barbosa, Tiago M.; Coelho, Eduarda

    2017-07-01

    The aim was to run a case study of the biomechanics of a wheelchair sprinter racing the 100 m final at the 2016 Paralympic Games. Stroke kinematics was measured by video analysis in each 20 m split. Race kinetics was estimated by employing an analytical model that encompasses the computation of the rolling friction, drag, energy output and energy input. A maximal average speed of 6.97 m s-1 was reached in the last split. It was estimated that the contributions of the rolling friction and drag force would account for 54% and 46% of the total resistance at maximal speed, respectively. Energy input and output increased over the event. However, we failed to note a steady state or any impairment of the energy input and output in the last few metres of the race. Data suggest that the 100 m is too short an event for the sprinter to be able to achieve his maximal power in such a distance.

  11. Origin of the Two Bands in the B800 Ring and Their Involvement in the Energy Transfer Network of Allochromatium vinosum.

    PubMed

    Schröter, Marco; Alcocer, Marcelo J P; Cogdell, Richard J; Kühn, Oliver; Zigmantas, Donatas

    2018-03-15

    Bacterial photosynthesis features robust and adaptable energy-harvesting processes in which light-harvesting proteins play a crucial role. The peripheral light-harvesting complex of the purple bacterium Allochromatium vinosum is particularly distinct, featuring a double peak structure in its B800 absorption band. Two hypotheses-not necessarily mutually exclusive-concerning the origin of this splitting have been proposed; either two distinct B800 bacteriochlorophyll site energies are involved, or an excitonic dimerization of bacteriochlorophylls within the B800 ring takes place. Through the use of two-dimensional electronic spectroscopy, we present unambiguous evidence that excitonic interaction shapes the split band. We further identify and characterize all of the energy transfer pathways within this complex by using a global kinetic fitting procedure. Our approach demonstrates how the combination of two-dimensional spectral resolution and self-consistent fitting allows for extraction of information on light-harvesting processes, which would otherwise be inaccessible due to signal congestion.

  12. Nuclear symmetry energy in terms of single-nucleon potential and its effect on the proton fraction of β-stable npeμ matter

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sahoo, Babita, E-mail: patra-babita@rediffmail.com; Chakraborty, Suparna, E-mail: banerjee.suparna@hotmail.com; Sahoo, Sukadev, E-mail: sukadevsahoo@yahoo.com

    2016-01-15

    Momentum and density dependence of single-nucleon potential u{sub τ} (k, ρ, β) is analyzed using a density dependent finite range effective interaction of the Yukawa form. Depending on the choice of the strength parameters of exchange interaction, two different trends of the momentum dependence of nuclear symmetry potential are noticed which lead to two opposite types of neutron and proton effective mass splitting. The 2nd-order and 4th-order symmetry energy of isospin asymmetric nuclear matter are expressed analytically in terms of the single-nucleon potential. Two distinct behavior of the density dependence of 2nd-order and 4th-order symmetry energy are observed depending onmore » neutron and proton effective mass splitting. It is also found that the 4th-order symmetry energy has a significant contribution towards the proton fraction of β-stable npeμ matter at high densities.« less

  13. On the Paramagnetic Inelastic Scattering of Neutrons due to Ions in the Anisotropic Crystalline Field

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yamada, Yasusada

    1960-03-15

    The paramagnetic inelastic scattering of neutrons due to ions of3d transition elements in the anisotropic crystalline field was considered. When the orbital momentum of the paramagnetic tons is not quenched, the spin states are no longer degenerate but split into discrete levels. The transition between these levels can occur by mugnetic dipole interaction of ions with neutrons. In the special case of FeCl/sub 2/, an antiferromagnetic crystal whose Neel temperature is 24 deg K, the calculation of the forward scuttering cross-sections of neutrons at various temperatures and wave lengths was carried out which showed that it is possible, under ordinarymore » conditions, to observe the inelastically scattered neutrons and hence to obtain information about the energy level scheme of the atomic spin in the cry stal. (auth)« less

  14. Water Splitting with Series-Connected Polymer Solar Cells.

    PubMed

    Esiner, Serkan; van Eersel, Harm; van Pruissen, Gijs W P; Turbiez, Mathieu; Wienk, Martijn M; Janssen, René A J

    2016-10-12

    We investigate light-driven electrochemical water splitting with series-connected polymer solar cells using a combined experimental and modeling approach. The expected maximum solar-to-hydrogen conversion efficiency (η STH ) for light-driven water splitting is modeled for two, three, and four series-connected polymer solar cells. In the modeling, we assume an electrochemical water splitting potential of 1.50 V and a polymer solar cell for which the external quantum efficiency and fill factor are both 0.65. The minimum photon energy loss (E loss ), defined as the energy difference between the optical band gap (E g ) and the open-circuit voltage (V oc ), is set to 0.8 eV, which we consider a realistic value for polymer solar cells. Within these approximations, two series-connected single junction cells with E g = 1.73 eV or three series-connected cells with E g = 1.44 eV are both expected to give an η STH of 6.9%. For four series-connected cells, the maximum η STH is slightly less at 6.2% at an optimal E g = 1.33 eV. Water splitting was performed with series-connected polymer solar cells using polymers with different band gaps. PTPTIBDT-OD (E g = 1.89 eV), PTB7-Th (E g = 1.56 eV), and PDPP5T-2 (E g = 1.44 eV) were blended with [70]PCBM as absorber layer for two, three, and four series-connected configurations, respectively, and provide η STH values of 4.1, 6.1, and 4.9% when using a retroreflective foil on top of the cell to enhance light absorption. The reasons for deviations with experiments are analyzed and found to be due to differences in E g and E loss . Light-driven electrochemical water splitting was also modeled for multijunction polymer solar cells with vertically stacked photoactive layers. Under identical assumptions, an η STH of 10.0% is predicted for multijunction cells.

  15. Quantum ballistic transport by interacting two-electron states in quasi-one-dimensional channels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, Danhong; Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106; Gumbs, Godfrey

    2015-11-15

    For quantum ballistic transport of electrons through a short conduction channel, the role of Coulomb interaction may significantly modify the energy levels of two-electron states at low temperatures as the channel becomes wide. In this regime, the Coulomb effect on the two-electron states is calculated and found to lead to four split energy levels, including two anticrossing-level and two crossing-level states. Moreover, due to the interplay of anticrossing and crossing effects, our calculations reveal that the ground two-electron state will switch from one anticrossing state (strong confinement) to a crossing state (intermediate confinement) as the channel width gradually increases andmore » then back to the original anticrossing state (weak confinement) as the channel width becomes larger than a threshold value. This switching behavior leaves a footprint in the ballistic conductance as well as in the diffusion thermoelectric power of electrons. Such a switching is related to the triple spin degeneracy as well as to the Coulomb repulsion in the central region of the channel, which separates two electrons away and pushes them to different channel edges. The conductance reoccurrence region expands from the weak to the intermediate confinement regime with increasing electron density.« less

  16. The hierarchically organized splitting of chromosome bands into sub-bands analyzed by multicolor banding (MCB).

    PubMed

    Lehrer, H; Weise, A; Michel, S; Starke, H; Mrasek, K; Heller, A; Kuechler, A; Claussen, U; Liehr, T

    2004-01-01

    To clarify the nature of chromosome sub-bands in more detail, the multicolor banding (MCB) probe-set for chromosome 5 was hybridized to normal metaphase spreads of GTG band levels at approximately 850, approximately 550, approximately 400 and approximately 300. It could be observed that as the chromosomes became shorter, more of the initial 39 MCB pseudo-colors disappeared, ending with 18 MCB pseudo-colored bands at the approximately 300-band level. The hierarchically organized splitting of bands into sub-bands was analyzed by comparing the disappearance or appearance of pseudo-color bands of the four different band levels. The regions to split first are telomere-near, centromere-near and in 5q23-->q31, followed by 5p15, 5p14, and all GTG dark bands in 5q apart from 5q12 and 5q32 and finalized by sub-band building in 5p15.2, 5q21.2-->q21.3, 5q23.1 and 5q34. The direction of band splitting towards the centromere or the telomere could be assigned to each band separately. Pseudo-colors assigned to GTG-light bands were resistant to band splitting. These observations are in concordance with the recently proposed concept of chromosome region-specific protein swelling. Copyright 2003 S. Karger AG, Basel

  17. Torsion-rotation structure and quasi-symmetric-rotor behaviour for the CH3SH asymmetric CH3-bending and C-H stretching bands of E parentage

    NASA Astrophysics Data System (ADS)

    Lees, R. M.; Xu, Li-Hong; Guislain, B. G.; Reid, E. M.; Twagirayezu, S.; Perry, D. S.; Dawadi, M. B.; Thapaliya, B. P.; Billinghurst, B. E.

    2018-01-01

    High-resolution Fourier transform spectra of the asymmetric methyl-bending and methyl-stretching bands of CH3SH have been recorded employing synchrotron radiation at the FIR beamline of the Canadian Light Source. Analysis of the torsion-rotation structure and relative intensities has revealed the novel feature that for both bend and stretch the in-plane and out-of-plane modes behave much like a Coriolis-coupled l-doublet pair originating from degenerate E modes of a symmetric top. As the axial angular momentum K increases, the energies of the coupled "l = ±1" modes diverge linearly, with effective Coriolis ζ constants typical for symmetric tops. For the methyl-stretching states, separated at K = 0 by only about 1 cm-1, the assigned sub-bands follow a symmetric top Δ(K - l) = 0 selection rule, with only ΔK = -1 transitions observed to the upper l = -1 in-plane A‧ component and only ΔK = +1 transitions to the lower l = +1 out-of-plane A″ component. The K = 0 separation of the CH3-bending states is larger at 9.1 cm-1 with the l-ordering reversed. Here, both ΔK = +1 and ΔK = -1 transitions are seen for each l-component but with a large difference in relative intensity. Term values for the excited state levels have been fitted to J(J + 1) power-series expansions to obtain substate origins. These have then been fitted to a Fourier model to characterize the torsion-K-rotation energy patterns. For both pairs of vibrational states, the torsional energies display the customary oscillatory behaviour as a function of K and have inverted torsional splittings relative to the ground state. The spectra show numerous perturbations, indicating local resonances with the underlying bath of high torsional levels and vibrational combination and overtone states. The overall structure of the two pairs of bands represents a new regime in which the vibrational energy separations, torsional splittings and shifts due to molecular asymmetry are all of the same order, creating a challenging and complex vibration-torsion-rotation coupling environment.

  18. Enhancing Mo:BiVO 4 Solar Water Splitting with Patterned Au Nanospheres by Plasmon-Induced Energy Transfer [Rational Nanopositioning for BiVO 4 Solar Water Splitting by Plasmon-induced Energy Transfer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Jung Kyu; Shi, Xinjian; Jeong, Myung Jin

    Here, plasmonic metal nanostructures have been extensively investigated to improve the performance of metal oxide photoanodes for photoelectrochemical (PEC) solar water splitting cells. Most of these studies have focused on the effects of those metal nanostructures on enhancing light absorption and enabling direct energy transfer via hot electrons. However, several recent studies have shown that plasmonic metal nanostructures can improve the PEC performance of metal oxide photoanodes via another mechanism known as plasmon–induced resonant energy transfer (PIRET). However, this PIRET effect has not yet been tested for the molybdenum–doped bismuth vanadium oxide (Mo:BiVO 4), regarded as one of the bestmore » metal oxide photoanode candidates. Here, this study constructs a hybrid Au nanosphere/Mo:BiVO 4 photoanode interwoven in a hexagonal pattern to investigate the PIRET effect on the PEC performance of Mo:BiVO 4. This study finds that the Au nanosphere array not only increases light absorption of the photoanode as expected, but also improves both its charge transport and charge transfer efficiencies via PIRET, as confirmed by time–correlated single photon counting and transient absorption studies. As a result, incorporating the Au nanosphere array increases the photocurrent density of Mo:BiVO 4 at 1.23 V versus RHE by ≈2.2–fold (2.83 mA cm –2).« less

  19. Enhancing Mo:BiVO 4 Solar Water Splitting with Patterned Au Nanospheres by Plasmon-Induced Energy Transfer [Rational Nanopositioning for BiVO 4 Solar Water Splitting by Plasmon-induced Energy Transfer

    DOE PAGES

    Kim, Jung Kyu; Shi, Xinjian; Jeong, Myung Jin; ...

    2017-10-04

    Here, plasmonic metal nanostructures have been extensively investigated to improve the performance of metal oxide photoanodes for photoelectrochemical (PEC) solar water splitting cells. Most of these studies have focused on the effects of those metal nanostructures on enhancing light absorption and enabling direct energy transfer via hot electrons. However, several recent studies have shown that plasmonic metal nanostructures can improve the PEC performance of metal oxide photoanodes via another mechanism known as plasmon–induced resonant energy transfer (PIRET). However, this PIRET effect has not yet been tested for the molybdenum–doped bismuth vanadium oxide (Mo:BiVO 4), regarded as one of the bestmore » metal oxide photoanode candidates. Here, this study constructs a hybrid Au nanosphere/Mo:BiVO 4 photoanode interwoven in a hexagonal pattern to investigate the PIRET effect on the PEC performance of Mo:BiVO 4. This study finds that the Au nanosphere array not only increases light absorption of the photoanode as expected, but also improves both its charge transport and charge transfer efficiencies via PIRET, as confirmed by time–correlated single photon counting and transient absorption studies. As a result, incorporating the Au nanosphere array increases the photocurrent density of Mo:BiVO 4 at 1.23 V versus RHE by ≈2.2–fold (2.83 mA cm –2).« less

  20. Zeeman Splitting of Ferromagnetic GaMnAs on InP Observed by Magnetic Circular Dichroism in Reflection Mode

    NASA Astrophysics Data System (ADS)

    Tanaka, H.; Bsatee, M.; Jadwisienczak, W. M.

    2016-08-01

    Systematic investigations of Ga1- x Mn x As grown on InP with different Mn concentrations have been conducted using magnetic circular dichroism (MCD) in reflection mode. The MCD spectrum of Ga0.97Mn0.03As/InP was decomposed into two dispersion curves originating from E 1 and E 1 + Δ1 optical transitions using the energy derivative of a Gaussian function. The Zeeman splitting energy E 1 at the L critical point (0.6 meV) of ferromagnetic Ga0.97Mn0.03As/InP was estimated using a rigid band shift model. Based on the relationship between E 1 and E 0 (Γ critical point) observed in Cd1- x Mn x Te dilute magnetic semiconductor (DMS), the Zeeman splitting energy E 1 (9.6 meV) of ferromagnetic Ga1- x Mn x As/InP was calculated. In addition, it was established that the peaks in the MCD spectra at L critical points shift toward the lower energy side as the Mn concentration is increased, and the observed shift saturates for Mn content of x = 0.001. Furthermore, the measured absorption spectra for Ga1- x Mn x As/InP did not show noticeable peak shifts with increasing Mn content. This suggests that the s, p- d exchange interaction induced in Ga1- x Mn x As/InP has localized nature due to the presence of a Mn rigid sphere of influence.

  1. Fine Splitting of Electron States in Silicon Nanocrystal with a Hydrogen-like Shallow Donor

    PubMed Central

    2007-01-01

    Electron structure of a silicon quantum dot doped with a shallow hydrogen-like donor has been calculated for the electron states above the optical gap. Within the framework of the envelope-function approach we have calculated the fine splitting of the ground sixfold degenerate electron state as a function of the donor position inside the quantum dot. Also, dependence of the wave functions and energies on the dot size was obtained.

  2. Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

    NASA Astrophysics Data System (ADS)

    Wang, Gongming

    Hydrogen gas is chemical fuel with high energy density, and represents a clean, renewable and carbon-free burning fuel, which has the potential to solve the more and more urgent energy crisis in today's society. Inspired by natural photosynthesis, artificial photosynthesis to generate hydrogen energy has attracted a lot of attentions in the field of chemistry, physics and material. Photoelectrochemical water splitting based on semiconductors represents a green and low cost method to generate hydrogen fuel. However, the current overall efficiency of solar to hydrogen is quite low, due to some intrinsic limitations such as bandgap, diffusion distance, carrier lifetime and photostability of semiconductors. Although nanostructured semiconductors can improve their photoelectrochemical water splitting performance to some extent, by increasing electrolyte accessible area and shortening minority carrier diffusion distance, nanostructure engineering cannot change their intrinsic electronic properties. Recent development in chemically modified nanostructures such as surface catalyst decoration, element doping, plasmonic modification and interfacial hetero-junction design have led to significant advancement in the photoelectrochemical water splitting, by improving surface reaction kinetics and charge separation, transportation and collection efficiency. In this thesis, I will give a detailed discussion on the chemically modified metal oxide nanostructures for photoelectrocemical hydrogen generation, with a focus on the element doping, hydrogen treatment and catalyst modification. I have demonstrated nitrogen doping on ZnO and Ti doping on hematite can improve their photoelectrochemical performance. In addition, we found hydrogen treatment is a general and effective method to improve the photocatalytic performance, by increasing their carrier desities. Hydrogen treatment has been demonstrated on TiO2, WO3 and BiVO4. In the end, we also used electrochemical catalyt to modify these metal oxide photoelectrode for waste water treatment and chemical fuel generation.

  3. Analysis and modeling of wafer-level process variability in 28 nm FD-SOI using split C-V measurements

    NASA Astrophysics Data System (ADS)

    Pradeep, Krishna; Poiroux, Thierry; Scheer, Patrick; Juge, André; Gouget, Gilles; Ghibaudo, Gérard

    2018-07-01

    This work details the analysis of wafer level global process variability in 28 nm FD-SOI using split C-V measurements. The proposed approach initially evaluates the native on wafer process variability using efficient extraction methods on split C-V measurements. The on-wafer threshold voltage (VT) variability is first studied and modeled using a simple analytical model. Then, a statistical model based on the Leti-UTSOI compact model is proposed to describe the total C-V variability in different bias conditions. This statistical model is finally used to study the contribution of each process parameter to the total C-V variability.

  4. Ray splitting in the reflection and refraction of surface acoustic waves in anisotropic solids.

    PubMed

    Every, A G; Maznev, A A

    2010-05-01

    This paper examines the conditions for, and provides examples of, ray splitting in the reflection and refraction of surface acoustic waves (SAW) in elastically anisotropic solids at straight obstacles such as edges, surface breaking cracks, and interfaces between different solids. The concern here is not with the partial scattering of an incident SAW's energy into bulk waves, but with the occurrence of more than one SAW ray in the reflected and/or transmitted wave fields, by analogy with birefringence in optics and mode conversion of bulk elastic waves at interfaces. SAW ray splitting is dependent on the SAW slowness curve possessing concave regions, which within the constraint of wave vector conservation parallel to the obstacle allows multiple outgoing SAW modes for certain directions of incidence and orientation of obstacle. The existence of pseudo-SAW for a given surface provides a further channel for ray splitting. This paper discusses some typical material configurations for which SAW ray splitting occurs. An example is provided of mode conversion entailing backward reflection or negative refraction. Experimental demonstration of ray splitting in the reflection of a laser generated SAW in GaAs(111) is provided. The calculation of SAW mode conversion amplitudes lies outside the scope of this paper.

  5. k - dependent Jeff=1/2 band splitting and the electron-hole asymmetry in SrIrO3

    NASA Astrophysics Data System (ADS)

    Singh, Vijeta; Pulikkotil, J. J.

    2017-02-01

    The Ir ion in Srn+1 IrnO 3 n + 1 series of compounds is octahedrally coordinated. However, unlike Sr2IrO4 (n=1) and Sr3Ir2O7 (n=2) which are insulating due to spin-orbit induced Jeff splitting of the t2g bands, SrIrO3 (n= ∞) is conducting. To explore whether such a splitting is relevant in SrIrO3, and if so to what extent, we investigate the electronic structure of orthorhombic SrIrO3 using density functional theory. Calculations reveal that the crystal field split Ir t2 g bands in SrIrO3 are indeed split into Jeff=3/2 and and Jeff=1/2 states. However, the splitting is found to be strongly k - dependent with its magnitude determined by the Ir - O orbital hybridization. Besides, we find that the spin-orbit induced pseudo-gap, into which the Fermi energy is positioned, is composed of both light electron-like and heavy hole-like bands. These features in the band structure of SrIrO3 suggest that variations in the carrier concentration control the electronic transport properties in SrIrO3, which is consistent with the experiments.

  6. Unification and new particles at the LHC

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Arkani-Hamed, Nima; D’Agnolo, Raffaele Tito; Low, Matthew

    Precision gauge coupling uni cation is one of the primary quantitative successes of low energy or split supersymmetry. Preserving this success puts severe restrictions on possible matter and gauge sectors that might appear at collider-accessible energies. In this study we enumerate new gauge sectors which are compatible with uni cation, consisting of horizontal gauge groups acting on vector-like matter charged under the Standard Model. Interestingly, almost all of these theories are in the supersymmetric conformal window at high energies and con ne quickly after the superpartners are decoupled. For a range of scalar masses compatible with both moderately tuned andmore » minimally split supersymmetry, the con ning dynamics happen at the multi-TeV scale, leading to a spectrum of multiple spin-0 and spin-1 resonances accessible to the LHC, with unusual quantum numbers and striking decay patterns.« less

  7. Unification and new particles at the LHC

    DOE PAGES

    Arkani-Hamed, Nima; D’Agnolo, Raffaele Tito; Low, Matthew; ...

    2016-11-14

    Precision gauge coupling uni cation is one of the primary quantitative successes of low energy or split supersymmetry. Preserving this success puts severe restrictions on possible matter and gauge sectors that might appear at collider-accessible energies. In this study we enumerate new gauge sectors which are compatible with uni cation, consisting of horizontal gauge groups acting on vector-like matter charged under the Standard Model. Interestingly, almost all of these theories are in the supersymmetric conformal window at high energies and con ne quickly after the superpartners are decoupled. For a range of scalar masses compatible with both moderately tuned andmore » minimally split supersymmetry, the con ning dynamics happen at the multi-TeV scale, leading to a spectrum of multiple spin-0 and spin-1 resonances accessible to the LHC, with unusual quantum numbers and striking decay patterns.« less

  8. In-Situ Formed Hydroxide Accelerating Water Dissociation Kinetics on Co3N for Hydrogen Production in Alkaline Solution.

    PubMed

    Xu, Zhe; Li, Wenchao; Yan, Yadong; Wang, HongXu; Zhu, Heng; Zhao, Meiming; Yan, Shicheng; Zou, Zhigang

    2018-06-21

    Sluggish water dissociation kinetics on nonprecious metal electrocatalysts limits the development of economical hydrogen production from water-alkali electrolyzers. Here, using Co 3 N electrocatalyst as a prototype, we find that during water splitting in alkaline electrolyte a cobalt-containing hydroxide formed on the surface of Co 3 N, which greatly decreased the activation energy of water dissociation (Volmer step, a main rate-determining step for water splitting in alkaline electrolytes). Combining the cobalt ion poisoning test and theoretical calculations, the efficient hydrogen production on Co 3 N electrocatalysts would benefit from favorable water dissociation on in-situ formed cobalt-containing hydroxide and low hydrogen production barrier on the nitrogen sites of Co 3 N. As a result, the Co 3 N catalyst exhibits a low water-splitting activation energy (26.57 kJ mol -1 ) that approaches the value of platinum electrodes (11.69 kJ mol -1 ). Our findings offer new insight into understanding the catalytic mechanism of nitride electrocatalysts, thus contributing to the development of economical hydrogen production in alkaline electrolytes.

  9. An anti-photocorrosive photoanode based on a CdS/NixSy@NF heterostructure for visible-light-driven water splitting

    NASA Astrophysics Data System (ADS)

    Zhang, Dantong; Liu, Lulu; Zhang, Lei; Qi, Kun; Zhang, Haiyan; Cui, Xiaoqiang

    2017-10-01

    Photoelectrochemical (PEC) water splitting holds promise for both sustainable energy generation and energy storage. CdS, a sulphide semiconductor possessing a narrow band gap (2.4 eV) and high photocatalytic activity, has been widely used to build photoanodes for PEC water splitting; however, it also suffers from photocorrosion under irradiation. An innovative method is presented here to significantly improve the stability of CdS photoanodes by constructing a p-n junction comprising CdS/NixSy on nickel foam (NF) via a one-pot hydrothermal method. The n-type CdS is surrounded by p-type NixSy serving as a fast and effective hole receiver of excess holes from CdS. More importantly, the CdS/NixSy shows significantly improved PEC stability compared to the pure CdS electrode, with ≈70% of the initial photocurrent retained after 2000 s of irradiation (>420 nm). This work provides a new insight into the fabrication of other p-n junction self-assembled photoanodes to simultaneously enhance charge separation and transport for efficient and stable solar fuel production.

  10. Convergence of separate orbits for enhanced thermoelectric performance of layered ZrS2

    NASA Astrophysics Data System (ADS)

    Ding, Guangqian; Chen, Jinfeng; Yao, Kailun; Gao, Guoying

    2017-07-01

    Minimizing the band splitting energy to approach orbital degeneracy has been shown as a route to improved thermoelectric performance. This represents an open opportunity in some promising layered materials where there is a separation of p orbitals at the valence band edge due to the crystal field splitting. In this work, using ab initio calculations and semiclassical Boltzmann transport theory, we try to figure out how orbital degeneracy influences the thermoelectric properties of layered transition-metal dichalcogenide ZrS2. We tune the splitting energy by applying compressive biaxial strain, and find out that near-degeneration at the {{Γ }} point can be achieved for around 3% strain. As expected, the enhanced density-of-states effective mass results in an increased power factor. Interestingly, we also find a marked decline in the lattice thermal conductivity due to the effect of strain on phonon velocities and scattering. The two effects synergetically enhance the figure of merit. Our results highlight the convenience of exploring this optimization route in layered thermoelectric materials with band structures similar to that of ZrS2.

  11. 2D Raman band splitting in graphene: Charge screening and lifting of the K-point Kohn anomaly.

    PubMed

    Wang, Xuanye; Christopher, Jason W; Swan, Anna K

    2017-10-19

    Pristine graphene encapsulated in hexagonal boron nitride has transport properties rivalling suspended graphene, while being protected from contamination and mechanical damage. For high quality devices, it is important to avoid and monitor accidental doping and charge fluctuations. The 2D Raman double peak in intrinsic graphene can be used to optically determine charge density, with decreasing peak split corresponding to increasing charge density. We find strong correlations between the 2D 1 and 2D 2 split vs 2D line widths, intensities, and peak positions. Charge density fluctuations can be measured with orders of magnitude higher precision than previously accomplished using the G-band shift with charge. The two 2D intrinsic peaks can be associated with the "inner" and "outer" Raman scattering processes, with the counterintuitive assignment of the phonon closer to the K point in the KM direction (outer process) as the higher energy peak. Even low charge screening lifts the phonon Kohn anomaly near the K point for graphene encapsulated in hBN, and shifts the dominant intensity from the lower to the higher energy peak.

  12. Quantitative characterization of the (D2O)3 torsional manifold by terahertz laser spectroscopy and theoretical analysis

    NASA Astrophysics Data System (ADS)

    Viant, Mark R.; Brown, Mac G.; Cruzan, Jeff D.; Saykally, Richard J.; Geleijns, Michel; van der Avoird, Ad

    1999-03-01

    We report the measurement of two new perpendicular (D2O)3 torsional bands by terahertz laser vibration-rotation-tunneling (VRT) spectroscopy of a planar pulsed supersonic expansion. The first (28.0 cm-1) band corresponds to the k=±2l←0 transition, and is the lowest frequency vibrational spectrum observed for a water cluster. The second (81.8 cm-1) band originates in the first excited torsional state, and has been assigned as k=3u←±1l. An effective three-dimensional Hamiltonian is derived to describe the rotational structure of each torsional state. Degenerate torsional levels with k=±1 and k=±2 exhibit a Coriolis splitting linear in K implying the presence of vibrational angular momentum, and a second-order splitting from off-diagonal coupling between degenerate sublevels with +|k| and -|k|. With this effective Hamiltonian we fit a total of 554 rovibrational transitions in five different bands connecting the lowest nine torsional states, with a rms residual of 1.36 MHz. The data set comprises the two new VRT bands together with the 41.1 cm-1 parallel band, the 89.6 cm-1 parallel band, and the 98.1 cm-1 perpendicular band. This analysis provides a comprehensive characterization of the torsional energy levels in (D2O)3 up to 100 cm-1 above the zero-point energy, and confirms the torsional assignments for all five (D2O)3 VRT bands observed to date. Moreover, it vindicates the adiabatic separation of the trimer torsional and hydrogen bond stretch/bend vibrational modes which underlies the torsional model.

  13. Singlet-triplet splittings and their relevance to the spin-dependent exciton formation in light-emitting polymers: an EOM/CCSD study.

    PubMed

    Chen, Liping; Zhu, Lingyun; Shuai, Zhigang

    2006-12-21

    By employing the coupled-cluster equation of motion method (EOM/CCSD) for excited-state structures, we have investigated the structure dependence of the singlet and triplet exciton splittings, through extensive calculations for polythiophene (PT), poly(3,4-ethylenedioxythiophene) (PEDOT), poly(thienylenevinylene) (PTV), polyparaphenylene vinylene (PPV), MEHPPV, polyparaphenylene ethylene (PPE), polyfluorene (PFO), and ladder-type polyparaphenylene (mLPPP). The results for the polymer are extrapolated through computations for the oligomers with increasing length. Recent investigations have been quite controversial about whether the internal quantum efficiency of electroluminescence could be higher than the 25% spin statistics limit or not in polymeric materials. Using a simple relationship between the exciton formation rate and the excitation energy level, we have discussed the material-dependent ratios of singlet and triplet exciton formation, which are in good agreement with the magnetic-field resonance detected transient spectroscopy measurement by Wohlgenannt et al. for a series of electronic polymers. This provides another piece of evidence to support the view that the internal quantum efficiency for conjugated polymers can exceed the 25% limit.

  14. A Robust and Fast Method to Compute Shallow States without Adjustable Parameters: Simulations for a Silicon-Based Qubit

    NASA Astrophysics Data System (ADS)

    Debernardi, Alberto; Fanciulli, Marco

    Within the framework of the envelope function approximation we have computed - without adjustable parameters and with a reduced computational effort due to analytical expression of relevant Hamiltonian terms - the energy levels of the shallow P impurity in silicon and the hyperfine and superhyperfine splitting of the ground state. We have studied the dependence of these quantities on the applied external electric field along the [001] direction. Our results reproduce correctly the experimental splitting of the impurity ground states detected at zero electric field and provide reliable predictions for values of the field where experimental data are lacking. Further, we have studied the effect of confinement of a shallow state of a P atom at the center of a spherical Si-nanocrystal embedded in a SiO2 matrix. In our simulations the valley-orbit interaction of a realistically screened Coulomb potential and of the core potential are included exactly, within the numerical accuracy due to the use of a finite basis set, while band-anisotropy effects are taken into account within the effective-mass approximation.

  15. How to realize a spin-dependent Seebeck diode effect in metallic zigzag γ-graphyne nanoribbons?

    PubMed

    Wu, Dan-Dan; Liu, Qing-Bo; Fu, Hua-Hua; Wu, Ruqian

    2017-11-30

    The spin-dependent Seebeck effect (SDSE) is one of the core topics of spin caloritronics. In the traditional device designs of spin-dependent Seebeck rectifiers and diodes, finite spin-dependent band gaps of materials are required to realize the on-off characteristic in thermal spin currents, and nearly zero charge current should be achieved to reduce energy dissipation. Here, we propose that two ferromagnetic zigzag γ-graphyne nanoribbons (ZγGNRs) without any spin-dependent band gaps around the Fermi level can not only exhibit the SDSE, but also display rectifier and diode effects in thermal spin currents characterized by threshold temperatures, which originates from the compensation effect occurring in spin-dependent transmissions but not from the spin-splitting band gaps in materials. The metallic characteristics of ZγGNRs bring about an advantage that the gate voltage is an effective route to adjust the symmetry of spin-splitting bands to obtain pure thermal spin currents. The results provide a new mechanism to realize spin-Seebeck rectifier and diode effects in 2D materials and expand material candidates towards spin-Seebeck device applications.

  16. Comment on: "Split kinetic energy method for quantum systems with competing potentials", Ann. Phys. 327 (2012) 2061

    NASA Astrophysics Data System (ADS)

    Fernández, Francisco M.

    2018-06-01

    We show that the kinetic-energy partition method (KEP) is a particular example of the well known Rayleigh-Ritz variational method. We discuss some of the KEP results and compare them with those coming from other approaches.

  17. Sensitivity analysis and optimization method for the fabrication of one-dimensional beam-splitting phase gratings

    PubMed Central

    Pacheco, Shaun; Brand, Jonathan F.; Zaverton, Melissa; Milster, Tom; Liang, Rongguang

    2015-01-01

    A method to design one-dimensional beam-spitting phase gratings with low sensitivity to fabrication errors is described. The method optimizes the phase function of a grating by minimizing the integrated variance of the energy of each output beam over a range of fabrication errors. Numerical results for three 1x9 beam splitting phase gratings are given. Two optimized gratings with low sensitivity to fabrication errors were compared with a grating designed for optimal efficiency. These three gratings were fabricated using gray-scale photolithography. The standard deviation of the 9 outgoing beam energies in the optimized gratings were 2.3 and 3.4 times lower than the optimal efficiency grating. PMID:25969268

  18. Line shape analysis of the K β transition in muonic hydrogen

    NASA Astrophysics Data System (ADS)

    Covita, Daniel S.; Anagnostopoulos, Dimitrios F.; Fuhrmann, Hermann; Gorke, Hubert; Gotta, Detlev; Gruber, Alexander; Hirtl, Albert; Ishiwatari, Tomoichi; Indelicato, Paul; Jensen, Thomas S.; Le Bigot, Eric-Olivier; Markushin, Valeri E.; Nekipelov, Michael; Pomerantsev, Vladimir N.; Popov, Vladimir P.; dos Santos, Joaquim M. F.; Schmid, Philipp; Simons, Leopold M.; Theisen, Marian; Trassinelli, Martino; Veloso, Joao F. C. A.; Zmeskal, Johann

    2018-04-01

    The K β transition in muonic hydrogen was measured with a high-resolution crystal spectrometer. The spectrum is shown to be sensitive to the ground-state hyperfine splitting, the corresponding triplet-to-singlet ratio, and the kinetic energy distribution in the 3 p state. The hyperfine splitting and triplet-to-singlet ratio are found to be consistent with the values expected from theoretical and experimental investigations and, therefore, were fixed accordingly in order to reduce the uncertainties in the further reconstruction of the kinetic energy distribution. The presence of high-energetic components was established and quantified in both a phenomenological, i.e. cascade-model-free fit, and in a direct deconvolution of the Doppler broadening based on the Bayesian method.

  19. Renormalized Stress-Energy Tensor of an Evaporating Spinning Black Hole.

    PubMed

    Levi, Adam; Eilon, Ehud; Ori, Amos; van de Meent, Maarten

    2017-04-07

    We provide the first calculation of the renormalized stress-energy tensor (RSET) of a quantum field in Kerr spacetime (describing a stationary spinning black hole). More specifically, we employ a recently developed mode-sum regularization method to compute the RSET of a minimally coupled massless scalar field in the Unruh vacuum state, the quantum state corresponding to an evaporating black hole. The computation is done here for the case a=0.7M, using two different variants of the method: t splitting and φ splitting, yielding good agreement between the two (in the domain where both are applicable). We briefly discuss possible implications of the results for computing semiclassical corrections to certain quantities, and also for simulating dynamical evaporation of a spinning black hole.

  20. Effects of Angular Variation on Split D Differential Eddy Current Probe Response (Postprint)

    DTIC Science & Technology

    2016-02-10

    AFRL-RX-WP-JA-2016-0327 EFFECTS OF ANGULAR VARIATION ON SPLIT D DIFFERENTIAL EDDY CURRENT PROBE RESPONSE (POSTPRINT) Ryan D...March 2014 – 22 September 2015 4. TITLE AND SUBTITLE EFFECTS OF ANGULAR VARIATION ON SPLIT D DIFFERENTIAL EDDY CURRENT PROBE RESPONSE (POSTPRINT...last few years have seen increased levels of complexity added to push the state-of-the-art modeling software used in eddy current NDE today. The added

  1. Effect of Split or Partial Electrodes on the Forced Vibrations of Bar-Type Piezoceramic Transducers

    NASA Astrophysics Data System (ADS)

    Karlash, V. L.

    2016-09-01

    The effect of a nonuniform electric load on the admittance and dynamic electromechanical coupling coefficient (EMCC) of energy converters is analyzed using, as examples, well-known problems of the forced vibrations of narrow piezoceramic plates with partial or split electrodes. It is shown that the antiphase excitation of vibrations can be effective to extract harmonics and to increase the operating frequencies of resonators. The presence of unelectroded sections can result in some increase in the EMCCof the principal resonance. If some electrodes are short-circuited, then odd and even longitudinal modes can be excited, which are absent when the electrodes are not split. The calculation of the stress state and admittance is in good agreement with experiments

  2. In-Beam Studies of High Spin States in Mercury -182 and MERCURY-184

    NASA Astrophysics Data System (ADS)

    Bindra, Kanwarjit Singh

    The high spin states in ^{182 }Hg were studied by using the reaction ^{154}Gd(^{32}S, 4n) at the Holifield Heavy Ion Research Facility. In addition, the in-beam gamma-rays in ^{183}Hg were identified for the first time using the reaction ^{155}Gd(^{32}S, 4n) at the Argonne BGO-FMA facility. Five new bands were observed for the first time in ^{182}Hg by studying the gamma-gamma coincidence relationships. The spins and parities of the nuclear levels were assigned on the basis of the measured ratios of directional correlations for oriented nuclei (DCO ratios). Shape co-existence similar to that observed in ^{184{-}186}Hg was established. The well deformed prolate band was extended to a state with tentative spin (20^+). The 2^+ state of the prolate band was identified at an energy of 548.6 keV which is higher in energy than in ^{184}Hg. A two parameter band mixing calculation yielded an interaction strength of 87 keV between the prolate 2^+ and the oblate 2^+ states. Four of the five new bands were found to be similar in behavior to ones seen in ^{184}Hg. An attempt was made to study the behavior of some of these bands at high spins by analyzing their kinematic and dynamic moments of inertia. The gamma-ray transitions in ^{183}Hg were identified from fragment-gamma and gamma-gamma coincidence measurements. A total of five bands of levels were identified and the spins and parities of the levels were assigned by comparing the level scheme of ^{138 }Hg obtained with that of ^ {185}Hg established previously. The interpretation of these bands in terms of associated quasi-particle configurations also relies on noted similarities with the structure of ^{185}Hg. Shape co-existence was established in ^{183}Hg as a result of this study. Two of the bands associated with the (624) 9/2^+ orbital were found to exhibit signature splitting, as expected for i _{13/2} excitations built on the prolate shape with moderate deformation. Two other bands which do not show signature splitting have been associated with the (514) 7/2- orbital and the gamma-ray transition energies in these bands were found to be "identical" to those present in bands with the same configuration in ^{185 }Hg.

  3. [ESTIMATION OF THE EFFICIENCY OF THE TREATMENT OF SPLIT-SYSTEMS IN RESIDENTIAL AREAS IN ORDER TO REDUCE THE LEVEL OF THE PREVALENCE OF DISEASES OF THE RESPIRATORY SYSTEM].

    PubMed

    Rakhmanin Yu A; Shibanov, S E; Kozulya, S V

    2016-01-01

    The purpose of work: comparison of prevalence among residents, which use or fail to use to clean split systems. Collected information about morbidity rate in 235 cases people during 3 years. The usage of split-systems without their regular cleaning leads to the gain in the level of the prevalence of respiratory diseases by 172.7% if compared with persons, who have no air conditioning systems at home. Also, the average number of disability days increases by 218.1%) and average time of the duration of the disease increases by 71.9%. The annual treatment of split-systems and regular cleaning of filters allowed to reduce the number of diseases. In comparison with the group of people, who fail to clean air conditioning systems, the drop of morbidity rate by 56.6%, average number of disability days by 63.3% and average time of diseases by 30.9% was observed. Regular treatment of air conditioning systems cannot completely repay the morbidity rates to the level of the control group. In comparison with the people, who use no air conditioning systems, the owners of split-systems with regular treatment have lung diseases by 18.4% more often. The average number of disability days and the average time of diseases increased by 16.9% and 18.8%. These changes can be explained by the impact of unfavorable (cooling) microclimate. The impact of split-systems on the health of the population requires a comprehensive study and the subsequent development of normative documents regulating their safe use.

  4. Tunneling dynamics of double proton transfer in formic acid and benzoic acid dimers

    NASA Astrophysics Data System (ADS)

    Smedarchina, Zorka; Fernández-Ramos, Antonio; Siebrand, Willem

    2005-04-01

    Direct dynamics calculations based on instanton techniques are reported of tunneling splittings due to double proton transfer in formic and benzoic acid dimers. The results are used to assign the observed splittings to levels for which the authors of the high-resolution spectra could not provide a definitive assignment. In both cases the splitting is shown to be due mainly to the zero-point level rather than to the vibrationally or electronically excited level whose spectrum was investigated. This leads to zero-point splittings of 375MHz for (DCOOH)2 and 1107MHz for the benzoic acid dimer. Thus, contrary to earlier calculations, it is found that the splitting is considerably larger in the benzoic than in the formic acid dimer. The calculations are extended to solid benzoic acid where the asymmetry of the proton-transfer potential induced by the crystal can be overcome by suitable doping. This has allowed direct measurement of the interactions responsible for double proton transfer, which were found to be much larger than those in the isolated dimer. To account for this observation both static and dynamic effects of the crystal forces on the intradimer hydrogen bonds are included in the calculations. The same methodology, extended to higher temperatures, is used to calculate rate constants for HH, HD, and DD transfers in neat benzoic acid crystals. The results are in good agreement with reported experimental rate constants measured by NMR relaxometry and, if allowance is made for small structural changes induced by doping, with the transfer matrix elements observed in doped crystals. Hence the method used allows a unified description of tunneling splittings in the gas phase and in doped crystals as well as of transfer rates in neat crystals.

  5. Adaptive control of dynamic balance in human gait on a split-belt treadmill.

    PubMed

    Buurke, Tom J W; Lamoth, Claudine J C; Vervoort, Danique; van der Woude, Lucas H V; den Otter, Rob

    2018-05-17

    Human bipedal gait is inherently unstable and staying upright requires adaptive control of dynamic balance. Little is known about adaptive control of dynamic balance in reaction to long-term, continuous perturbations. We examined how dynamic balance control adapts to a continuous perturbation in gait, by letting people walk faster with one leg than the other on a treadmill with two belts (i.e. split-belt walking). In addition, we assessed whether changes in mediolateral dynamic balance control coincide with changes in energy use during split-belt adaptation. In nine minutes of split-belt gait, mediolateral margins of stability and mediolateral foot roll-off changed during adaptation to the imposed gait asymmetry, especially on the fast side, and returned to baseline during washout. Interestingly, no changes in mediolateral foot placement (i.e. step width) were found during split-belt adaptation. Furthermore, the initial margin of stability and subsequent mediolateral foot roll-off were strongly coupled to maintain mediolateral dynamic balance throughout the gait cycle. Consistent with previous results net metabolic power was reduced during split-belt adaptation, but changes in mediolateral dynamic balance control were not correlated with the reduction of net metabolic power during split-belt adaptation. Overall, this study has shown that a complementary mechanism of relative foot positioning and mediolateral foot roll-off adapts to continuously imposed gait asymmetry to maintain dynamic balance in human bipedal gait. © 2018. Published by The Company of Biologists Ltd.

  6. Design of a factorial experiment with randomization restrictions to assess medical device performance on vascular tissue

    PubMed Central

    2011-01-01

    Background Energy-based surgical scalpels are designed to efficiently transect and seal blood vessels using thermal energy to promote protein denaturation and coagulation. Assessment and design improvement of ultrasonic scalpel performance relies on both in vivo and ex vivo testing. The objective of this work was to design and implement a robust, experimental test matrix with randomization restrictions and predictive statistical power, which allowed for identification of those experimental variables that may affect the quality of the seal obtained ex vivo. Methods The design of the experiment included three factors: temperature (two levels); the type of solution used to perfuse the artery during transection (three types); and artery type (two types) resulting in a total of twelve possible treatment combinations. Burst pressures of porcine carotid and renal arteries sealed ex vivo were assigned as the response variable. Results The experimental test matrix was designed and carried out as a split-plot experiment in order to assess the contributions of several variables and their interactions while accounting for randomization restrictions present in the experimental setup. The statistical software package SAS was utilized and PROC MIXED was used to account for the randomization restrictions in the split-plot design. The combination of temperature, solution, and vessel type had a statistically significant impact on seal quality. Conclusions The design and implementation of a split-plot experimental test-matrix provided a mechanism for addressing the existing technical randomization restrictions of ex vivo ultrasonic scalpel performance testing, while preserving the ability to examine the potential effects of independent factors or variables. This method for generating the experimental design and the statistical analyses of the resulting data are adaptable to a wide variety of experimental problems involving large-scale tissue-based studies of medical or experimental device efficacy and performance. PMID:21599963

  7. First-Principles Study of Migration Mechanisms and Diffusion of Carbon in GaN (Open Access Publisher’s Version)

    DTIC Science & Technology

    2015-09-21

    and metal organic chemical vapor deposition (MOCVD) [18]. In the former case, carbon can contaminate the material during air exposure in standard... gallium . In addition, carbon can be found as a contaminant in the source gases or it can be etched off the susceptor that transfers heat to the substrate...split interstitial Figure 1: Split interstitials of carbon (yellow) and nitrogen (blue) surrounded by four gallium atoms (red). energy differences of

  8. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bazante, Alexandre P., E-mail: abazante@chem.ufl.edu; Bartlett, Rodney J.; Davidson, E. R.

    The benzene radical anion is studied with ab initio coupled-cluster theory in large basis sets. Unlike the usual assumption, we find that, at the level of theory investigated, the minimum energy geometry is non-planar with tetrahedral distortion at two opposite carbon atoms. The anion is well known for its instability to auto-ionization which poses computational challenges to determine its properties. Despite the importance of the benzene radical anion, the considerable attention it has received in the literature so far has failed to address the details of its structure and shape-resonance character at a high level of theory. Here, we examinemore » the dynamic Jahn-Teller effect and its impact on the anion potential energy surface. We find that a minimum energy geometry of C{sub 2} symmetry is located below one D{sub 2h} stationary point on a C{sub 2h} pseudo-rotation surface. The applicability of standard wave function methods to an unbound anion is assessed with the stabilization method. The isotropic hyperfine splitting constants (A{sub iso}) are computed and compared to data obtained from experimental electron spin resonance experiments. Satisfactory agreement with experiment is obtained with coupled-cluster theory and large basis sets such as cc-pCVQZ.« less

  9. Holographic spectrum-splitting optical systems for solar photovoltaics

    NASA Astrophysics Data System (ADS)

    Zhang, Deming

    Solar energy is the most abundant source of renewable energy available. The relatively high cost prevents solar photovoltaic (PV) from replacing fossil fuel on a larger scale. In solar PV power generation the cost is reduced with more efficient PV technologies. In this dissertation, methods to improve PV conversion efficiency with holographic optical components are discussed. The tandem multiple-junction approach has achieved very high conversion efficiency. However it is impossible to manufacture tandem PV cells at a low cost due to stringent fabrication standards and limited material types that satisfy lattice compatibility. Current produced by the tandem multi-junction PV cell is limited by the lowest junction due to series connection. Spectrum-splitting is a lateral multi-junction concept that is free of lattice and current matching constraints. Each PV cell can be optimized towards full absorption of a spectral band with tailored light-trapping schemes. Holographic optical components are designed to achieve spectrum-splitting PV energy conversion. The incident solar spectrum is separated onto multiple PV cells that are matched to the corresponding spectral band. Holographic spectrum-splitting can take advantage of existing and future low-cost technologies that produces high efficiency thin-film solar cells. Spectrum-splitting optical systems are designed and analyzed with both transmission and reflection holographic optical components. Prototype holograms are fabricated and high optical efficiency is achieved. Light-trapping in PV cells increases the effective optical path-length in the semiconductor material leading to improved absorption and conversion efficiency. It has been shown that the effective optical path length can be increased by a factor of 4n2 using diffusive surfaces. Ultra-light-trapping can be achieved with optical filters that limit the escape angle of the diffused light. Holographic reflection gratings have been shown to act as angle-wavelength selective filters that can function as ultra-light-trapping filters. Results from an experimental reflection hologram are used to model the absorption enhancement factor for a silicon solar cell and light-trapping filter. The result shows a significant improvement in current generation for thin-film silicon solar cells under typical operating conditions.

  10. Energy flow along the medium-induced parton cascade

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Blaizot, J.-P., E-mail: jean-paul.blaizot@cea.fr; Mehtar-Tani, Y., E-mail: ymehtar@uw.edu

    2016-05-15

    We discuss the dynamics of parton cascades that develop in dense QCD matter, and contrast their properties with those of similar cascades of gluon radiation in vacuum. We argue that such cascades belong to two distinct classes that are characterized respectively by an increasing or a constant (or decreasing) branching rate along the cascade. In the former class, of which the BDMPS, medium-induced, cascade constitutes a typical example, it takes a finite time to transport a finite amount of energy to very soft quanta, while this time is essentially infinite in the latter case, to which the DGLAP cascade belongs.more » The medium induced cascade is accompanied by a constant flow of energy towards arbitrary soft modes, leading eventually to the accumulation of the initial energy of the leading particle at zero energy. It also exhibits scaling properties akin to wave turbulence. These properties do not show up in the cascade that develops in vacuum. There, the energy accumulates in the spectrum at smaller and smaller energy as the cascade develops, but the energy never flows all the way down to zero energy. Our analysis suggests that the way the energy is shared among the offsprings of a splitting gluon has little impact on the qualitative properties of the cascades, provided the kernel that governs the splittings is not too singular.« less

  11. Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections.

    PubMed

    Huang, Xinchuan; Schwenke, David W; Lee, Timothy J

    2011-01-28

    In this work, we build upon our previous work on the theoretical spectroscopy of ammonia, NH(3). Compared to our 2008 study, we include more physics in our rovibrational calculations and more experimental data in the refinement procedure, and these enable us to produce a potential energy surface (PES) of unprecedented accuracy. We call this the HSL-2 PES. The additional physics we include is a second-order correction for the breakdown of the Born-Oppenheimer approximation, and we find it to be critical for improved results. By including experimental data for higher rotational levels in the refinement procedure, we were able to greatly reduce our systematic errors for the rotational dependence of our predictions. These additions together lead to a significantly improved total angular momentum (J) dependence in our computed rovibrational energies. The root-mean-square error between our predictions using the HSL-2 PES and the reliable energy levels from the HITRAN database for J = 0-6 and J = 7∕8 for (14)NH(3) is only 0.015 cm(-1) and 0.020∕0.023 cm(-1), respectively. The root-mean-square errors for the characteristic inversion splittings are approximately 1∕3 smaller than those for energy levels. The root-mean-square error for the 6002 J = 0-8 transition energies is 0.020 cm(-1). Overall, for J = 0-8, the spectroscopic data computed with HSL-2 is roughly an order of magnitude more accurate relative to our previous best ammonia PES (denoted HSL-1). These impressive numbers are eclipsed only by the root-mean-square error between our predictions for purely rotational transition energies of (15)NH(3) and the highly accurate Cologne database (CDMS): 0.00034 cm(-1) (10 MHz), in other words, 2 orders of magnitude smaller. In addition, we identify a deficiency in the (15)NH(3) energy levels determined from a model of the experimental data.

  12. Magnetoinfrared spectroscopy of Landau levels and Zeeman splitting of three-dimensional massless Dirac Fermions in ZrTe 5

    DOE PAGES

    R. Y. Chen; Gu, G. D.; Chen, Z. G.; ...

    2015-10-22

    We present a magnetoinfrared spectroscopy study on a newly identified three-dimensional (3D) Dirac semimetal ZrTe 5. We observe clear transitions between Landau levels and their further splitting under a magnetic field. Both the sequence of transitions and their field dependence follow quantitatively the relation expected for 3D massless Dirac fermions. The measurement also reveals an exceptionally low magnetic field needed to drive the compound into its quantum limit, demonstrating that ZrTe 5 is an extremely clean system and ideal platform for studying 3D Dirac fermions. The splitting of the Landau levels provides direct, bulk spectroscopic evidence that a relatively weakmore » magnetic field can produce a sizable Zeeman effect on the 3D Dirac fermions, which lifts the spin degeneracy of Landau levels. As a result, our analysis indicates that the compound evolves from a Dirac semimetal into a topological line-node semimetal under the current magnetic field configuration.« less

  13. Quantum Transport Properties in Two-Dimensional and Low Dimensional Systems

    NASA Astrophysics Data System (ADS)

    Fang, Hao

    1991-02-01

    The quantum transport properties in quasi two -dimensional and zero-dimensional systems have been studied at magnetic field of 0 - 8T and low temperatures down to 1.3K. In the (100) Si inversion layer, we investigated the effect of valley splitting on the value of the enhanced effective g factor by the tilted magnetic field measurement. The valley splitting is determined from the beat effect on samples with measurable valley splitting behavior due to misorientation effects. Experimental results illustrate that the effective g factor is enhanced by many body interactions and that the valley splitting has no obvious effect on the g-value. A simulation calculation with a Gaussian distribution of density of states has been carried out and the simulated results are in an excellent agreement with the experimental data. A new and very simple technique has been developed for fabricating two-dimensional periodic submicron structures with feature sizes down to about 300 A. The etching mask is made by coating the material surface with a monolayer of close-packed uniform latex particles. We have demonstrated the formation of a quasi zero-dimensional quantum dot array and performed capacitance measurements on GaAs/AlGaAs heterostructure samples with periodicities ranging from 3000 to 4000 A. A series of nearly equally spaced peaks in a curve of the derivative of capacitance with respect to gate voltage, which corresponds to the energy levels formed by the lateral electric confining potential, is observed. The energy spacings and effective dot widths estimated from a simple parabolic potential model are consistent with the experimental data. Novel magnetoresistance oscillations in a two -dimensional electron gas modulated by a two-dimensional triangular superlattice potential are observed in GaAs/AlGaAs heterostructures. The new oscillations appear at very low magnetic fields and the peak positions are directly determined by the magnetic field and the periodicity of the modulation structure. New oscillation results from the modulation-broadened Landau bandwidth and the induced density of states variation with magnetic field. Physical explanations and theoretical approaches for the commensurability problem in a two-dimensional triangular superlattice potential are presented. The differences in oscillation frequencies and phase factors for two kinds of samples correlate with structures differing in degree of depletion and the resulting geometry.

  14. Solar activity and oscillation frequency splittings

    NASA Technical Reports Server (NTRS)

    Woodard, M. F.; Libbrecht, K. G.

    1993-01-01

    Solar p-mode frequency splittings, parameterized by the coefficients through order N = 12 of a Legendre polynomial expansion of the mode frequencies as a function of m/L, were obtained from an analysis of helioseismology data taken at Big Bear Solar Observatory during the 4 years 1986 and 1988-1990 (approximately solar minimum to maximum). Inversion of the even-index splitting coefficients confirms that there is a significant contribution to the frequency splittings originating near the solar poles. The strength of the polar contribution is anti correlated with the overall level or solar activity in the active latitudes, suggesting a relation to polar faculae. From an analysis of the odd-index splitting coefficients we infer an uppor limit to changes in the solar equatorial near-surface rotatinal velocity of less than 1.9 m/s (3 sigma limit) between solar minimum and maximum.

  15. Charge qubit coupled to an intense microwave electromagnetic field in a superconducting Nb device: evidence for photon-assisted quasiparticle tunneling.

    PubMed

    de Graaf, S E; Leppäkangas, J; Adamyan, A; Danilov, A V; Lindström, T; Fogelström, M; Bauch, T; Johansson, G; Kubatkin, S E

    2013-09-27

    We study a superconducting charge qubit coupled to an intensive electromagnetic field and probe changes in the resonance frequency of the formed dressed states. At large driving strengths, exceeding the qubit energy-level splitting, this reveals the well known Landau-Zener-Stückelberg interference structure of a longitudinally driven two-level system. For even stronger drives, we observe a significant change in the Landau-Zener-Stückelberg pattern and contrast. We attribute this to photon-assisted quasiparticle tunneling in the qubit. This results in the recovery of the qubit parity, eliminating effects of quasiparticle poisoning, and leads to an enhanced interferometric response. The interference pattern becomes robust to quasiparticle poisoning and has a good potential for accurate charge sensing.

  16. Activation of different split functionalities upon re-association of RNA-DNA hybrids

    PubMed Central

    Afonin, Kirill A.; Viard, Mathias; Martins, Angelica N.; Lockett, Stephen J.; Maciag, Anna E.; Freed, Eric O.; Heldman, Eliahu; Jaeger, Luc; Blumenthal, Robert; Shapiro, Bruce A.

    2013-01-01

    Split-protein systems, an approach that relies on fragmentation of proteins with their further conditional re-association to form functional complexes, are increasingly used for various biomedical applications. This approach offers tight control of the protein functions and improved detection sensitivity. Here we show a similar technique based on a pair of RNA-DNA hybrids that can be generally used for triggering different split functionalities. Individually, each hybrid is inactive but when two cognate hybrids re-associate, different functionalities are triggered inside mammalian cells. As a proof of concept this work is mainly focused on activation of RNA interference; however the release of other functionalities (resonance energy transfer and RNA aptamer) is also shown. Furthermore, in vivo studies demonstrate a significant uptake of the hybrids by tumors together with specific gene silencing. This split-functionality approach presents a new route in the development of “smart” nucleic acids based nanoparticles and switches for various biomedical applications. PMID:23542902

  17. Measurement of the Splitting Function in p p and Pb-Pb Collisions at √{sN N }=5.02 TeV

    NASA Astrophysics Data System (ADS)

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Ambrogi, F.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Grossmann, J.; Hrubec, J.; Jeitler, M.; König, A.; Krammer, N.; Krätschmer, I.; Liko, D.; Madlener, T.; Mikulec, I.; Pree, E.; Rad, N.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Spanring, M.; Spitzbart, D.; Waltenberger, W.; Wittmann, J.; Wulz, C.-E.; Zarucki, M.; Chekhovsky, V.; Mossolov, V.; Suarez Gonzalez, J.; De Wolf, E. A.; Di Croce, D.; Janssen, X.; Lauwers, J.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; De Bruyn, I.; De Clercq, J.; Deroover, K.; Flouris, G.; Lontkovskyi, D.; Lowette, S.; Moortgat, S.; Moreels, L.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Beghin, D.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Dorney, B.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Starling, E.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Roskas, C.; Salva, S.; Tytgat, M.; Verbeke, W.; Zaganidis, N.; Bakhshiansohi, H.; Bondu, O.; Brochet, S.; Bruno, G.; Caputo, C.; Caudron, A.; David, P.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Piotrzkowski, K.; Quertenmont, L.; Saggio, A.; Vidal Marono, M.; Wertz, S.; Zobec, J.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Coelho, E.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Melo De Almeida, M.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Sanchez Rosas, L. J.; Santoro, A.; Sznajder, A.; Thiel, M.; Tonelli Manganote, E. J.; Torres Da Silva De Araujo, F.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Tomei, T. R. Fernandez Perez; Gregores, E. M.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Misheva, M.; Rodozov, M.; Shopova, M.; Sultanov, G.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Gao, X.; Yuan, L.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Jiang, C. H.; Leggat, D.; Liao, H.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Yazgan, E.; Zhang, H.; Zhang, S.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Courbon, B.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Starodumov, A.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Abdelalim, A. A.; Mohammed, Y.; Salama, E.; Dewanjee, R. K.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Kirschenmann, H.; Pekkanen, J.; Voutilainen, M.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Tuominen, E.; Tuominiemi, J.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Faure, J. L.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Leloup, C.; Locci, E.; Machet, M.; Malcles, J.; Negro, G.; Rander, J.; Rosowsky, A.; Sahin, M. Ö.; Titov, M.; Abdulsalam, A.; Amendola, C.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Charlot, C.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Lobanov, A.; Martin Blanco, J.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Jansová, M.; Le Bihan, A.-C.; Tonon, N.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Finco, L.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Viret, S.; Khvedelidze, A.; Tsamalaidze, Z.; Autermann, C.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Zhukov, V.; Albert, A.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Teyssier, D.; Thüer, S.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bermúdez Martínez, A.; Bin Anuar, A. A.; Borras, K.; Botta, V.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. M.; Grohsjean, A.; Gunnellini, P.; Guthoff, M.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Kasemann, M.; Keaveney, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Lenz, T.; Leonard, J.; Lipka, K.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Raspereza, A.; Roland, B.; Savitskyi, M.; Saxena, P.; Shevchenko, R.; Spannagel, S.; Stefaniuk, N.; Van Onsem, G. P.; Walsh, R.; Wen, Y.; Wichmann, K.; Wissing, C.; Zenaiev, O.; Aggleton, R.; Bein, S.; Blobel, V.; Centis Vignali, M.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hinzmann, A.; Hoffmann, M.; Karavdina, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Kurz, S.; Lapsien, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Sonneveld, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baur, S.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Freund, B.; Friese, R.; Giffels, M.; Haitz, D.; Harrendorf, M. A.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Kassel, F.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.; Karathanasis, G.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Kousouris, K.; Evangelou, I.; Foudas, C.; Kokkas, P.; Mallios, S.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Triantis, F. A.; Csanad, M.; Filipovic, N.; Pasztor, G.; Surányi, O.; Veres, G. I.; Bencze, G.; Hajdu, C.; Horvath, D.; Hunyadi, Á.; Sikler, F.; Veszpremi, V.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.; Bartók, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Choudhury, S.; Komaragiri, J. R.; Bahinipati, S.; Bhowmik, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Dhingra, N.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kaur, S.; Kumar, R.; Kumari, P.; Mehta, A.; Singh, J. B.; Walia, G.; Kumar, Ashok; Shah, Aashaq; Bhardwaj, A.; Chauhan, S.; Choudhary, B. C.; Garg, R. B.; Keshri, S.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, R.; Bhardwaj, R.; Bhattacharya, R.; Bhattacharya, S.; Bhawandeep, U.; Dey, S.; Dutt, S.; Dutta, S.; Ghosh, S.; Majumdar, N.; Modak, A.; Mondal, K.; Mukhopadhyay, S.; Nandan, S.; Purohit, A.; Roy, A.; Roy, D.; Roy Chowdhury, S.; Sarkar, S.; Sharan, M.; Thakur, S.; Behera, P. K.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Netrakanti, P. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Dugad, S.; Mahakud, B.; Mitra, S.; Mohanty, G. B.; Sur, N.; Sutar, B.; Banerjee, S.; Bhattacharya, S.; Chatterjee, S.; Das, P.; Guchait, M.; Jain, Sa.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Sarkar, T.; Wickramage, N.; Chauhan, S.; Dube, S.; Hegde, V.; Kapoor, A.; Kothekar, K.; Pandey, S.; Rane, A.; Sharma, S.; Chenarani, S.; Eskandari Tadavani, E.; Etesami, S. M.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Errico, F.; Fiore, L.; Iaselli, G.; Lezki, S.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Borgonovi, L.; Braibant-Giacomelli, S.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Albergo, S.; Costa, S.; Di Mattia, A.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Chatterjee, K.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Lenzi, P.; Meschini, M.; Paoletti, S.; Russo, L.; Sguazzoni, G.; Strom, D.; Viliani, L.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Primavera, F.; Calvelli, V.; Ferro, F.; Robutti, E.; Tosi, S.; Benaglia, A.; Brianza, L.; Brivio, F.; Ciriolo, V.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Malberti, M.; Malvezzi, S.; Manzoni, R. A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pauwels, K.; Pedrini, D.; Pigazzini, S.; Ragazzi, S.; Redaelli, N.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; Di Guida, S.; Fabozzi, F.; Fienga, F.; Iorio, A. O. M.; Khan, W. 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T.; Jensen, F.; Johnson, A.; Krohn, M.; Leontsinis, S.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Patterson, J. R.; Quach, D.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.; Abdullin, S.; Albrow, M.; Alyari, M.; Apollinari, G.; Apresyan, A.; Apyan, A.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Canepa, A.; Cerati, G. B.; Cheung, H. W. K.; Chlebana, F.; Cremonesi, M.; Duarte, J.; Elvira, V. D.; Freeman, J.; Gecse, Z.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Lincoln, D.; Lipton, R.; Liu, M.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. 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D.; Wang, Q.; Ivanov, A.; Kaadze, K.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Feng, Y.; Ferraioli, C.; Hadley, N. J.; Jabeen, S.; Jeng, G. Y.; Kellogg, R. G.; Kunkle, J.; Mignerey, A. C.; Ricci-Tam, F.; Shin, Y. H.; Skuja, A.; Tonwar, S. C.; Abercrombie, D.; Allen, B.; Azzolini, V.; Barbieri, R.; Baty, A.; Bi, R.; Brandt, S.; Busza, W.; Cali, I. A.; D'Alfonso, M.; Demiragli, Z.; Gomez Ceballos, G.; Goncharov, M.; Hsu, D.; Hu, M.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Maier, B.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Tatar, K.; Velicanu, D.; Wang, J.; Wang, T. W.; Wyslouch, B.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Hansen, P.; Hiltbrand, J.; Kalafut, S.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Turkewitz, J.; Wadud, M. A.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Claes, D. R.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Dolen, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Nguyen, D.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wood, D.; Bhattacharya, S.; Charaf, O.; Hahn, K. A.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Hurtado Anampa, K.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Loukas, N.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Wayne, M.; Wolf, M.; Woodard, A.; Alimena, J.; Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Winer, B. L.; Wulsin, H. W.; Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Higginbotham, S.; Lange, D.; Luo, J.; Marlow, D.; Mei, K.; Ojalvo, I.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Tully, C.; Malik, S.; Norberg, S.; Barker, A.; Barnes, V. E.; Das, S.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Khatiwada, A.; Miller, D. H.; Neumeister, N.; Peng, C. C.; Qiu, H.; Schulte, J. F.; Sun, J.; Wang, F.; Xie, W.; Cheng, T.; Parashar, N.; Stupak, J.; Adair, A.; Chen, Z.; Ecklund, K. M.; Freed, S.; Geurts, F. J. M.; Guilbaud, M.; Kilpatrick, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Roberts, J.; Rorie, J.; Shi, W.; Tu, Z.; Zabel, J.; Zhang, A.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Ciesielski, R.; Goulianos, K.; Mesropian, C.; Agapitos, A.; Chou, J. P.; Gershtein, Y.; Gómez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Kyriacou, S.; Lath, A.; Montalvo, R.; Nash, K.; Osherson, M.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Delannoy, A. G.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Castaneda Hernandez, A.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Kamon, T.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Damgov, J.; De Guio, F.; Dudero, P. R.; Faulkner, J.; Gurpinar, E.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Mengke, T.; Muthumuni, S.; Peltola, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Padeken, K.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Hirosky, R.; Joyce, M.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Wang, Y.; Wolfe, E.; Xia, F.; Harr, R.; Karchin, P. E.; Poudyal, N.; Sturdy, J.; Thapa, P.; Zaleski, S.; Brodski, M.; Buchanan, J.; Caillol, C.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Hussain, U.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Polese, G.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.; CMS Collaboration

    2018-04-01

    Data from heavy ion collisions suggest that the evolution of a parton shower is modified by interactions with the color charges in the dense partonic medium created in these collisions, but it is not known where in the shower evolution the modifications occur. The momentum ratio of the two leading partons, resolved as subjets, provides information about the parton shower evolution. This substructure observable, known as the splitting function, reflects the process of a parton splitting into two other partons and has been measured for jets with transverse momentum between 140 and 500 GeV, in p p and PbPb collisions at a center-of-mass energy of 5.02 TeV per nucleon pair. In central PbPb collisions, the splitting function indicates a more unbalanced momentum ratio, compared to peripheral PbPb and p p collisions.. The measurements are compared to various predictions from event generators and analytical calculations.

  18. Odd-even parity splittings and octupole correlations in neutron-rich Ba isotopes

    NASA Astrophysics Data System (ADS)

    Fu, Y.; Wang, H.; Wang, L.-J.; Yao, J. M.

    2018-02-01

    The odd-even parity splittings in low-lying parity-doublet states of atomic nuclei with octupole correlations have usually been interpreted as rotational excitations on top of octupole vibration in the language of collective models. In this paper, we report a deep analysis of the odd-even parity splittings in the parity-doublet states of neutron-rich Ba isotopes around neutron number N =88 within a full microscopic framework of beyond-mean-field multireference covariant energy density functional theory. The dynamical correlations related to symmetry restoration and quadrupole-octupole shape fluctuation are taken into account with a generator coordinate method combined with parity, particle-number, and angular-momentum projections. We show that the behavior of odd-even parity splittings is governed by the interplay of rotation, quantum tunneling, and shape evolution. Similar to 224Ra, a picture of rotation-induced octupole shape stabilization in the positive-parity states is exhibited in the neutron-rich Ba isotopes.

  19. Measurement of the Splitting Function in p p and Pb-Pb Collisions at s N N = 5.02 TeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.

    Data from heavy ion collisions suggest that the evolution of a parton shower is modified by interactions with the color charges in the dense partonic medium created in these collisions, but it is not known where in the shower evolution the modifications occur. The momentum ratio of the two leading partons, resolved as subjets, provides information about the parton shower evolution. This substructure observable, known as the splitting function, reflects the process of a parton splitting into two other partons and has been measured for jets with transverse momentum between 140 and 500 GeV, in pp and PbPb collisions at amore » center-of-mass energy of 5.02 TeV per nucleon pair. In central PbPb collisions, the splitting function indicates a more unbalanced momentum ratio, compared to peripheral PbPb and pp collisions. Furthermore, the measurements are compared to various predictions from event generators and analytical calculations.« less

  20. Measurement of the Splitting Function in p p and Pb-Pb Collisions at s N N = 5.02 TeV

    DOE PAGES

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

    2018-04-03

    Data from heavy ion collisions suggest that the evolution of a parton shower is modified by interactions with the color charges in the dense partonic medium created in these collisions, but it is not known where in the shower evolution the modifications occur. The momentum ratio of the two leading partons, resolved as subjets, provides information about the parton shower evolution. This substructure observable, known as the splitting function, reflects the process of a parton splitting into two other partons and has been measured for jets with transverse momentum between 140 and 500 GeV, in pp and PbPb collisions at amore » center-of-mass energy of 5.02 TeV per nucleon pair. In central PbPb collisions, the splitting function indicates a more unbalanced momentum ratio, compared to peripheral PbPb and pp collisions. Furthermore, the measurements are compared to various predictions from event generators and analytical calculations.« less

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