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Sample records for additional energy bands

  1. Structured ZnO films: Effect of copper nitrate addition to precursor solution on topography, band gap energy and photocatalytic activity

    NASA Astrophysics Data System (ADS)

    Heinonen, S.; Nikkanen, J.-P.; Kaleva, A.; Hyvärinen, L.; Levänen, E.

    2017-02-01

    ZnO is a widely studied semiconductor material with interesting properties such as photocatalytic activity leading to wide range of applications, for example in the field of opto-electronics and self-cleaning and antimicrobial applications. Doping of photocatalytic semiconductor materials has been shown to introduce variation in the band gap energy of the material. In this work, ZnO rods were grown on a stainless steel substrates using hydrothermal method introducing copper nitrate into the precursor solution. Zinc nitrate and hexamethylenetetramine were used as precursor materials and the growth was conducted at 90 °C for 2 h in order to achieve a well-aligned evenly distributed rod structure. Copper was introduced as copper nitrate that was added in the precursor solution in the beginning of the growth. The as-prepared films were then heat-treated at 350 °C and band gap measurements were performed for prepared films. It was found that increase in the copper concentration in the precursor solution decreased the band gap of the ZnO film. Methylene blue discolouration tests were then performed in order to study the effect of the copper nitrate addition to precursor solution on photocatalytic activity of the structured ZnO films.

  2. The Additive Property of Energy.

    ERIC Educational Resources Information Center

    Tsaoussis, Dimitris S.

    1995-01-01

    Presents exercises that analyze the additive property of energy. Concludes that if a body has more than one component of energy depending on the same physical quantity, the body's total energy will be the algebraic sum of the components if a linear relationship exists between the energy components and that physical quantity. (JRH)

  3. Additive Manufacturing Integrated Energy Demonstration

    SciTech Connect

    Jackson, Roderick; Lee, Brian; Love, Lonnie; Mabe, Gavin; Keller, Martin; Curran, Scott; Chinthavali, Madhu; Green, Johney; Sawyer, Karma; Enquist, Phil

    2016-02-05

    Meet AMIE - the Additive Manufacturing Integrated Energy demonstration project. Led by Oak Ridge National Laboratory and many industry partners, the AMIE project changes the way we think about generating, storing, and using electrical power. AMIE uses an integrated energy system that shares energy between a building and a vehicle. And, utilizing advanced manufacturing and rapid innovation, it only took one year from concept to launch.

  4. Additive Manufacturing Integrated Energy Demonstration

    ScienceCinema

    Jackson, Roderick; Lee, Brian; Love, Lonnie; Mabe, Gavin; Keller, Martin; Curran, Scott; Chinthavali, Madhu; Green, Johney; Sawyer, Karma; Enquist, Phil

    2016-07-12

    Meet AMIE - the Additive Manufacturing Integrated Energy demonstration project. Led by Oak Ridge National Laboratory and many industry partners, the AMIE project changes the way we think about generating, storing, and using electrical power. AMIE uses an integrated energy system that shares energy between a building and a vehicle. And, utilizing advanced manufacturing and rapid innovation, it only took one year from concept to launch.

  5. Energy band alignment at the nanoscale

    NASA Astrophysics Data System (ADS)

    Deuermeier, Jonas; Fortunato, Elvira; Martins, Rodrigo; Klein, Andreas

    2017-01-01

    The energy band alignments at interfaces often determine the electrical functionality of a device. Along with the size reduction into the nanoscale, functional coatings become thinner than a nanometer. With the traditional analysis of the energy band alignment by in situ photoelectron spectroscopy, a critical film thickness is needed to determine the valence band offset. By making use of the Auger parameter, it becomes possible to determine the energy band alignment to coatings, which are only a few Ångström thin. This is demonstrated with experimental data of Cu2O on different kinds of substrate materials.

  6. Eastern Band of Cherokee Strategic Energy Plan

    SciTech Connect

    Souther Carolina Institute of energy Studies-Robert Leitner

    2009-01-30

    The Eastern Band of Cherokee Indians was awarded a grant under the U.S. Department of Energy Tribal Energy Program (TEP) to develop a Tribal Strategic Energy Plan (SEP). The grant, awarded under the “First Steps” phase of the TEP, supported the development of a SEP that integrates with the Tribe’s plans for economic development, preservation of natural resources and the environment, and perpetuation of Tribal heritage and culture. The Tribe formed an Energy Committee consisting of members from various departments within the Tribal government. This committee, together with its consultant, the South Carolina Institute for Energy Studies, performed the following activities: • Develop the Tribe’s energy goals and objectives • Establish the Tribe’s current energy usage • Identify available renewable energy and energy efficiency options • Assess the available options versus the goals and objectives • Create an action plan for the selected options

  7. Additional Sawmill Electrical Energy Study.

    SciTech Connect

    Carroll, Hatch & Associates.

    1987-02-01

    This study was undertaken to investigate the potential for reducing use of electrical energy at lumber dry kilns by reducing fan speeds part way through the lumber drying process. It included three tasks: to quantify energy savings at a typical mill through field tests; to investigate the level of electric energy use at a representative sample of other mills and thereby to estimate the transferability of the conservation to the region; and to prepare a guidebook to present the technology to mill operators, and to allow them to estimate the economic value of adopting the technique at their facilities. This document reports on the first two tasks.

  8. Mapping the Copper energy band using the quantum well states

    NASA Astrophysics Data System (ADS)

    Wu, J.; Choi, J.; Owens, T.; Qiu, Z. Q.; Rotenberg, E.; Smith, N. V.

    2006-03-01

    Quantum well states (QWS) of copper electrons in Cu/Co/Cu(100) system are investigated using Angle Resolved Photoemission Electron Spectroscopy (ARPES). The samples were grown epitaxially at room temperature and measured in situ at beamlime 7 of the Advanced Light Source (ALS). Photoemission intensity oscillates with both the electron energy and the Cu film thickness. By counting the thickness oscillation periodicity at a given energy, we can determine the out-of-plane electron momentum without the need of the phase value in the phase accumulation model. This allows the experimental determination of the E-k relation (energy band) for the Cu film. We here report the Cu energy band determined in this way at different in-plane momentum. In addition, by fitting the oscillation as a function of the Cu thickness, we also determined the phase value of the quantization condition as a function of the energy and in-plane momentum.

  9. Correlations of Energy Ratios for Collective Nuclear Bands

    NASA Astrophysics Data System (ADS)

    Zamfir, N. V.; Bucurescu, D.; Căta-Danil, G.; Ivaşcu, M.; Mărginean, N.

    2009-01-01

    It is shown that the Mallmann's energy correlations, introduced a long time ago for the ground state bands of the even-even nuclei are, in fact, universal. Various bands in all collective nuclei (even-even, odd-even, and odd-odd) obey the same systematics. This unique, universal behaviour indicates the same spin dependence of the energy of the levels and, consequently, a common structure of all collective bands. Based on the second-order anharmonic vibrator description, parameter-free recurrence relations between energy ratios are deduced. These relations can be used to predict levels of higher spins in various bands.

  10. Correlations of Energy Ratios for Collective Nuclear Bands

    NASA Astrophysics Data System (ADS)

    Zamfir, N. V.; Bucurescu, D.; Căta-Danil, G.; Ivaşcu, M.; Mărginean, N.

    2009-03-01

    It is shown that the Mallmann's energy correlations, introduced a long time ago for the ground state bands of the even-even nuclei are, in fact, universal. Various bands in all collective nuclei (even-even, odd-even, and odd-odd) obey the same systematics. This unique, universal behaviour indicates the same spin dependence of the energy of the levels in all bands in all collective nuclei. Based on a second-order anharmonic vibrator description, parameter-free recurrence relations between energy ratios are deduced. These relations can be used to predict levels of higher spins in various bands.

  11. Achieving Higher Energies via Passively Driven X-band Structures

    NASA Astrophysics Data System (ADS)

    Sipahi, Taylan; Sipahi, Nihan; Milton, Stephen; Biedron, Sandra

    2014-03-01

    Due to their higher intrinsic shunt impedance X-band accelerating structures significant gradients with relatively modest input powers, and this can lead to more compact particle accelerators. At the Colorado State University Accelerator Laboratory (CSUAL) we would like to adapt this technology to our 1.3 GHz L-band accelerator system using a passively driven 11.7 GHz traveling wave X-band configuration that capitalizes on the high shunt impedances achievable in X-band accelerating structures in order to increase our overall beam energy in a manner that does not require investment in an expensive, custom, high-power X-band klystron system. Here we provide the design details of the X-band structures that will allow us to achieve our goal of reaching the maximum practical net potential across the X-band accelerating structure while driven solely by the beam from the L-band system.

  12. Energy bands and gaps near an impurity

    NASA Astrophysics Data System (ADS)

    Mihóková, E.; Schulman, L. S.

    2016-10-01

    It has been suggested that in the neighborhood of a certain kind of defect in a crystal there is a bend in the electronic band. We confirm that this is indeed possible using the Kronig-Penney model. Our calculations also have implications for photonic crystals.

  13. Simultaneous capturing of RGB and additional band images using hybrid color filter array

    NASA Astrophysics Data System (ADS)

    Kiku, Daisuke; Monno, Yusuke; Tanaka, Masayuki; Okutomi, Masatoshi

    2014-03-01

    Extra band information in addition to the RGB, such as the near-infrared (NIR) and the ultra-violet, is valuable for many applications. In this paper, we propose a novel color filter array (CFA), which we call "hybrid CFA," and a demosaicking algorithm for the simultaneous capturing of the RGB and the additional band images. Our proposed hybrid CFA and demosaicking algorithm do not rely on any specific correlation between the RGB and the additional band. Therefore, the additional band can be arbitrarily decided by users. Experimental results demonstrate that our proposed demosaicking algorithm with the proposed hybrid CFA can provide the additional band image while keeping the RGB image almost the same quality as the image acquired by using the standard Bayer CFA.

  14. The energy band structure of Si and Ge nanolayers

    NASA Astrophysics Data System (ADS)

    Wu, Xueke; Huang, Weiqi; Huang, Zhongmei; Qin, Chaojie; Tang, Yanlin

    2016-12-01

    First-principles calculation based on density functional theory (DFT) with the generalized gradient approximation (GGA) were carried out to investigate the energy band gap structure of Si and Ge nanofilms. Calculation results show that the band gaps of Si(111) and Ge(110) nanofilms are indirect structures and independent of film thickness, the band gaps of Si(110) and Ge(100) nanofilms could be transfered into the direct structure for nanofilm thickness of less than a certain value, and the band gaps of Si(100) and Ge(111) nanofilms are the direct structures in the present model thickness range (about 7 nm). Moreover, the changes of the band gaps on the Si and Ge nanofilms follow the quantum confinement effects. It will be a good way to obtain direct band gap emission in Si and Ge materials, and to develop Si and Ge laser on Si chip.

  15. Fe-substituted indium thiospinels: New intermediate band semiconductors with better absorption of solar energy

    NASA Astrophysics Data System (ADS)

    Chen, Ping; Chen, Haijie; Qin, Mingsheng; Yang, Chongyin; Zhao, Wei; Liu, Yufeng; Zhang, Wenqing; Huang, Fuqiang

    2013-06-01

    The indium thiospinels In2S3 and MgIn2S4 are promising host for the intermediated band (IB) photovoltaic materials due to their ideal band gap value. Here, the optical properties and electronic structure of Fe-doped In2S3 and MgIn2S4 have been investigated. All the Fe-substituted semiconductors exhibit two additional absorption bands at about 0.7 and 1.25 eV, respectively. The results of first-principles calculations revealed that the Fe substituted at the octahedral In site would introduce a partially filled IB into the band gap. Thanks to the formation of IB, the Fe-substituted semiconductors have the ability to absorb the photons with energies below the band gap. With the wide-spectrum absorption of solar energy, these materials possess potential applications in photovoltaic domain.

  16. 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

  17. Propagation Energies Inferred from Deformation Bands in Sandstone

    NASA Astrophysics Data System (ADS)

    Schultz, R. A.; Soliva, R.

    2011-12-01

    The J-integral is used to calculate the band propagation energies Jband for pure and shear-enhanced compaction bands from four sandstones from around the world. The value obtained previously for the Valley of Fire (Utah) site assumed compactional offsets only across the bands; shearing offsets along these and shear-enhanced compaction bands (SECBs) from the Buckskin Gulch (Utah) and the recently reported Boncavaï quarry near Mornas (France) are consistent with trigonometrically obtained estimates calculated from band thickness and angle to the maximum compressive principal stress. Compactional offsets were calculated from porosity reductions from host rock to band. Cataclastic deformation bands from the Quartier de l'Etang quarry near Orange (France) were also analyzed for comparison with bands having smaller ratios of shear/compaction. Normal and shear stresses resolved across the bands at the time of their formation were estimated from stratigraphic overburden and friction coefficients for porous sandstones measured in the laboratory. Assuming that the SECBs may be characterized by small-scale yielding, so that Jband is equivalent to the strain energy release rate G, the values of Jband can be compared to the previous values. SECBs having strike-slip offsets from Valley of Fire have Jband = 11.1 kJ/m2, consistent with the previously reported range of GIc = 10-60 kJ/m2 calculated by using the J-integral approach by Rudnicki and Sternlof [2005]. Pure compaction bands (PCBs) from the same site have Jband = 5.5 kJ/m2, implying that less work is required to propagate PCBs than SECBs. The value of Jband for the Buckskin Gulch site, 60.5 kJ/m2, is consistent with the lower range of values for strain energy release rate obtained previously, GIc = 55-120 kJ/m2. Band propagation energy for SECBs from the Boncavaï quarry site, Jband = 16.4 kJ/m2, is comparable to that for similar structures from the Valley of Fire site. Cataclastic deformation bands at the Orange quarry

  18. The calculation of band gap energy in zinc oxide films

    NASA Astrophysics Data System (ADS)

    Arif, Ali; Belahssen, Okba; Gareh, Salim; Benramache, Said

    2015-01-01

    We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 °C. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures from experimental data, which were published in international journals. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.

  19. Experimental study of energy harvesting in UHF band

    NASA Astrophysics Data System (ADS)

    Bernacki, Ł.; Gozdur, R.; Salamon, N.

    2016-04-01

    A huge progress of down-sizing technology together with trend of decreasing power consumption and, on the other hand, increasing efficiency of electronics give the opportunity to design and to implement the energy harvesters as main power sources. This paper refers to the energy that can be harvested from electromagnetic field in the unlicensed frequency bands. The paper contains description of the most popular techniques and transducers that can be applied in energy harvesting domain. The overview of current research and commercial solutions was performed for bands in ultra-high frequency range, which are unlicensed and where transmission is not limited by administrative arrangements. During the experiments with Powercast’s receiver, the same bands as sources of electromagnetic field were taken into account. This power source is used for conducting radio-communication process and excess energy could be used for powering the extra electronic circuits. The paper presents elaborated prototype of energy harvesting system and the measurements of power harvested in ultra-high frequency range. The evaluation of RF energy harvesters for powering ultra-low power (ULP) electronic devices was performed based on survey and results of the experiments.

  20. Strain-Induced Energy Band Gap Opening in Two-Dimensional Bilayered Silicon Film

    NASA Astrophysics Data System (ADS)

    Ji, Z.; Zhou, R.; Lew Yan Voon, L. C.; Zhuang, Y.

    2016-10-01

    This work presents a theoretical study of the structural and electronic properties of bilayered silicon film (BiSF) under in-plane biaxial strain/stress using density functional theory (DFT). Atomic structures of the two-dimensional (2-D) silicon films are optimized by using both the local-density approximation (LDA) and generalized gradient approximation (GGA). In the absence of strain/stress, five buckled hexagonal honeycomb structures of the BiSF with triangular lattice have been obtained as local energy minima, and their structural stability has been verified. These structures present a Dirac-cone shaped energy band diagram with zero energy band gaps. Applying a tensile biaxial strain leads to a reduction of the buckling height. Atomically flat structures with zero buckling height have been observed when the AA-stacking structures are under a critical biaxial strain. Increase of the strain between 10.7% and 15.4% results in a band-gap opening with a maximum energy band gap opening of ˜0.17 eV, obtained when a 14.3% strain is applied. Energy band diagrams, electron transmission efficiency, and the charge transport property are calculated. Additionally, an asymmetric energetically favorable atomic structure of BiSF shows a non-zero band gap in the absence of strain/stress and a maximum band gap of 0.15 eV as a -1.71% compressive strain is applied. Both tensile and compressive strain/stress can lead to a band gap opening in the asymmetric structure.

  1. Photonic Band Gap resonators for high energy accelerators

    SciTech Connect

    Schultz, S.; Smith, D.R.; Kroll, N. |

    1993-12-31

    We have proposed that a new type of microwave resonator, based on Photonic Band Gap (PBG) structures, may be particularly useful for high energy accelerators. We provide an explanation of the PBG concept and present data which illustrate some of the special properties associated with such structures. Further evaluation of the utility of PBG resonators requires laboratory testing of model structures at cryogenic temperatures, and at high fields. We provide a brief discussion of our test program, which is currently in progress.

  2. Addition of a 5/cm Spectral Resolution Band Model Option to LOWTRAN5.

    DTIC Science & Technology

    1980-10-01

    FORM I. REPORT NUMBER .GOVT ACCESSION NO. 3 . RECIPIENT’S CATALCI UMISER ARI-RR-232 -9 1 0. T Ct IIIM INNY S TYPE OF REPORT & PERIOD COVERED I ddition of...5r/TPAN (2) the addition of temperature dependent ecular absorption coefficients,’ and ( 3 ) the use of a multi-parameter, Dp 71pForentz band model for...LOWTRA.I5 and LOWTRAN5(IMOD) ..... 2-10 2.8 Comparison of LOWTRAN5 Models to Measurements 2-16 3 . MODIFICATIONS TO LOWTRAN5

  3. Long GRB with Additional High Energy Maxima after the End of the Low Energy T90 Intervals

    NASA Astrophysics Data System (ADS)

    Irene, Arkhangelskaja; Alexander, Zenin; Dmitry, Kirin; Elena, Voevodina

    2013-01-01

    Now GRB high energy γ-emission was observed mostly by detectors onboard Fermi and Agile satellites. During most part of GRB high energy γ-emission registered some later than low energy trigger and lasts several hundreds of seconds, but its maxima are within low energy t90 intervals both for short and long bursts. But GRB090323, GRB090328 and GRB090626 temporal profiles have additional maxima after low energy t90 intervals finished. These bursts temporal profile analysis have shown that faint peaks in low energy bands close to the ends of low energy t90 intervals preceded such maxima. Moreover, these events low energy spectral index β behavior differs from usual GRB one according to preliminary analysis. We suppose that these GRB could be separated as different GRB type. In presented article this new GRB type properties are discussed.

  4. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    NASA Technical Reports Server (NTRS)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of the electron density for an individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closest neighbours reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

  5. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    NASA Technical Reports Server (NTRS)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of electron density for na individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closet neighbors reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

  6. Nanoscale Studies of Energy Band Gaps and Band Offsets in Compound Semiconductor Heterostructures

    NASA Astrophysics Data System (ADS)

    Chang, Alexander S.

    The identification of the precise band offsets at semiconductor interfaces is crucially important for the successful development of electronic and optoelectronic devices. However, issues at the interfaces, such as strain or defects, needs to be investigated for precise band tuning of semiconductor heterostructures. In this dissertation, the nanometer-scale structural and electronic properties of InGaAs(Sb)N/GaAs interfaces, InGaN/GaN QDs, and GaSb/GaAs QDs are investigated using a combination of XSTM and STS. The influence of Sb incorporation on the InGaAs(Sb)N/GaAs band alignment is investigated. At the InGaAsN/GaAs (InGaAsSbN/GaAs) interfaces, type II (type I) band offsets are observed, due to strain-induced splitting of the valence band and the incorporation of Sb. Band tuning of both conduction and valence band edges with the incorporation of Sb can be used to engineer the band structure with strong confinement of electrons and holes in the InGaAsSbN quantum well layer, which is promising for light emitting applications. The influence of the growth substrate on InGaN/GaN QD formation and properties is examined. The QD density, dimension, and band gaps are compared for different InGaN QDs on free-standing GaN or GaN/AlN/sapphire substrates. We present different sources using nucleation on different substrates, and discuss their influences on the electronic band structure. Our work suggests that a wide variety of InGaN QD dimension, density, and band structure can be achieved by using different starting substrate and number of layers of InGaN QD stacks. Furthermore, the influence of strain and dislocation on the GaSb/GaAs QD band alignment is investigated using both experimental and computational tools. A combination of cross-sectional transmission electron microscopy (XTEM), XSTM, and STS reveals the formation of misfit dislocations and both coherent and semi-coherent clustered QDs, independent of Sb- vs. As-termination of the GaAs surface. Furthermore, finite

  7. Simple Experimental Verification of the Relation between the Band-Gap Energy and the Energy of Photons Emitted by LEDs

    ERIC Educational Resources Information Center

    Precker, Jurgen W.

    2007-01-01

    The wavelength of the light emitted by a light-emitting diode (LED) is intimately related to the band-gap energy of the semiconductor from which the LED is made. We experimentally estimate the band-gap energies of several types of LEDs, and compare them with the energies of the emitted light, which ranges from infrared to white. In spite of…

  8. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    SciTech Connect

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  9. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    NASA Astrophysics Data System (ADS)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-09-01

    Reflection electron energy loss spectra from some insulating materials (CaCO3, Li2CO3, and SiO2) taken at relatively high incoming electron energies (5-40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO2, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E - Egap)1.5. For CaCO3, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li2CO3 (7.5 eV) is the first experimental estimate.

  10. Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes

    SciTech Connect

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2015-01-09

    The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP. In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.

  11. Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes

    DOE PAGES

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2015-01-09

    The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP.more » In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.« less

  12. Energy efficiency standards for residential and commercial equipment: Additional opportunities

    SciTech Connect

    Rosenquist, Greg; McNeil, Michael; Iyer, Maithili; Meyers, Steve; McMahon, Jim

    2004-08-02

    Energy efficiency standards set minimum levels of energy efficiency that must be met by new products. Depending on the dynamics of the market and the level of the standard, the effect on the market for a given product may be small, moderate, or large. Energy efficiency standards address a number of market failures that exist in the buildings sector. Decisions about efficiency levels often are made by people who will not be responsible for the energy bill, such as landlords or developers of commercial buildings. Many buildings are occupied for their entire lives by very temporary owners or renters, each unwilling to make long-term investments that would mostly reward subsequent users. And sometimes what looks like apathy about efficiency merely reflects inadequate information or time invested to evaluate it. In addition to these sector-specific market failures, energy efficiency standards address the endemic failure of energy prices to incorporate externalities. In the U.S., energy efficiency standards for consumer products were first implemented in California in 1977. National standards became effective starting in 1988. By the end of 2001, national standards were in effect for over a dozen residential appliances, as well as for a number of commercial sector products. Updated standards will take effect in the next few years for several products. Outside the U.S., over 30 countries have adopted minimum energy performance standards. Technologies and markets are dynamic, and additional opportunities to improve energy efficiency exist. There are two main avenues for extending energy efficiency standards. One is upgrading standards that already exist for specific products. The other is adopting standards for products that are not covered by existing standards. In the absence of new and upgraded energy efficiency standards, it is likely that many new products will enter the stock with lower levels of energy efficiency than would otherwise be the case. Once in the stock

  13. Energy band gaps in graphene nanoribbons with corners

    NASA Astrophysics Data System (ADS)

    Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

    2016-05-01

    In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

  14. Testing energy non-additivity in white dwarfs

    NASA Astrophysics Data System (ADS)

    Carmona, J. M.; Cortés, J. L.; Gracia-Ruiz, R.; Loret, N.

    2014-03-01

    We consider a particular effect which can be expected in scenarios of deviations from special relativity induced by Planckian physics: the loss of additivity in the total energy of a system of particles. We argue about the necessity to introduce a length scale to control the effects of non-additivity for macroscopic objects and consider white dwarfs as an appropriate laboratory to test this kind of new physics. We study the sensitivity of the mass-radius relation of the Chandrasekhar model to these corrections by comparing the output of a simple phenomenological model to observational data of white dwarfs.

  15. Threshold conditions, energy spectrum and bands generated by locally periodic Dirac comb potentials

    NASA Astrophysics Data System (ADS)

    Dharani, M.; Shastry, C. S.

    2016-01-01

    We derive expressions for polynomials governing the threshold conditions for different types of locally periodic Dirac comb potentials comprising of attractive and combination of attractive and repulsive delta potential terms confined symmetrically inside a one dimensional box of fixed length. The roots of these polynomials specify the conditions on the potential parameters in order to generate threshold energy bound states. The mathematical and numerical methods used by us were first formulated in our earlier works and it is also very briefly summarized in this paper. We report a number of mathematical results pertaining to the threshold conditions and these are useful in controlling the number of negative energy states as desired. We further demonstrate the correlation between the distribution of roots of these polynomials and negative energy eigenvalues. Using these results as basis, we investigate the energy bands in the positive energy spectrum for the above specified Dirac comb potentials and also for the corresponding repulsive case. In the case of attractive Dirac comb the base energy of the each band excluding the first band coincides with specific eigenvalue of the confining box whereas in the repulsive case it coincides with the band top. We deduce systematic correlation between band gaps, band spreads and box eigenvalues and explain the physical reason for the vanishing of band pattern at higher energies. In the case of Dirac comb comprising of orderly arranged attractive and repulsive delta potentials, specific box eigenvalues occur in the middle of each band excluding the first band. From our study we find that by controlling the number and strength parameters of delta terms in the Dirac comb and the size of confining box it is possible to generate desired types of band formations. We believe the results from our systematic analysis are useful and relevant in the study of various one dimensional systems of physical interest in areas like nanoscience.

  16. Is it worth to report the presence of a single and additional band in the cerebrospinal fluid detected by isoelectrofocusing?

    PubMed

    Lefèvre, Camille; Derache, Nathalie; Grandhomme, Frédérique; Fradin, Sabine; Allouche, Stéphane

    2016-08-01

    Despite the revisions of the Mac Donald criteria of multiple sclerosis (MS) in 2010, the cerebrospinal fluid (CSF) analysis by isoelectrofocusing (IEF) remains useful for atypical presentations of MS. The IEF is considered as positive when at least two or more additional bands are detected in the CSF by comparison with the patient's serum but sometimes, the IEF interpretation is more difficult. The goal of our study was to determine the significance when a single band in the CSF is detected by IEF. We conducted a retrospective study on 990 patients who underwent a lumbar puncture followed by a CSF analysis by IEF. Only 2% display such IEF profile (i.e. single and additional band in the CSF). A diagnosis of clinically isolated syndrome or MS was evidenced in 4 among those 21 patients. In conclusion, our data suggest that even if the presence of a single and additional band in the CSF is a rare situation, it should be mentioned to clinicians to not exclude the hypothesis of an inflammatory demyelinating disease of the central nervous system.

  17. Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

    PubMed

    Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

    2017-12-01

    The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

  18. Ultrafast laser-induced modifications of energy bands of non-metal crystals

    NASA Astrophysics Data System (ADS)

    Gruzdev, Vitaly

    2009-10-01

    Ultrafast laser-induced variations of electron energy bands of transparent solids significantly influence ionization and conduction-band electron absorption driving the initial stage of laser-induced damage (LID). The mechanisms of the variations are attributed to changing electron functions from bonding to anti-bonding configuration via laser-induced ionization; laser-driven electron oscillations in quasi-momentum space; and direct distortion of the inter-atomic potential by electric field of laser radiation. The ionization results in the band-structure modification via accumulation of broken chemical bonds between atoms and provides significant contribution to the overall modification only when enough excited electrons are accumulated in the conduction band. The oscillations are associated with modification of electron energy by pondermotive potential of the oscillations. The direct action of radiation's electric field leads to specific high-frequency Franz-Keldysh effect (FKE) spreading the allowed electron states into the bands of forbidden energy. Those processes determine the effective band gap that is a laser-driven energy gap between the modified electron energy bands. Among those mechanisms, the latter two provide reversible band-structure modification that takes place from the beginning of the ionization and are, therefore, of special interest due to their strong influence on the initial stage of the ionization. The pondermotive potential results either in monotonous increase or oscillatory variations of the effective band gap that has been taken into account in some ionization models. The classical FKE provides decrease of the band gap. We analyzing the competition between those two opposite trends of the effective-band-gap variations and discuss applications of those effects for considerations of the laser-induced damage and its threshold in transparent solids.

  19. Multi-band Eilenberger Theory of Superconductivity: Systematic Low-Energy Projection

    NASA Astrophysics Data System (ADS)

    Nagai, Yuki; Nakamura, Hiroki

    2016-07-01

    We propose the general multi-band quasiclassical Eilenberger theory of superconductivity to describe quasiparticle excitations in inhomogeneous systems. With the use of low-energy projection matrix, the M-band quasiclassical Eilenberger equations are systematically obtained from N-band Gor'kov equations. Here M is the internal degrees of freedom in the bands crossing the Fermi energy and N is the degree of freedom in a model. Our framework naturally includes inter-band off-diagonal elements of Green's functions, which have usually been neglected in previous multi-band quasiclassical frameworks. The resultant multi-band Eilenberger and Andreev equations are similar to the single-band ones, except for multi-band effects. The multi-band effects can exhibit the non-locality and the anisotropy in the mapped systems. Our framework can be applied to an arbitrary Hamiltonian (e.g., a tight-binding Hamiltonian derived by the first-principle calculation). As examples, we use our framework in various kinds of systems, such as noncentrosymmetric superconductor CePt3Si, three-orbital model for Sr2RuO4, heavy fermion CeCoIn5/YbCoIn5 superlattice, a topological superconductor with the strong spin-orbit coupling CuxBi2Se3, and a surface system on a topological insulator.

  20. Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

    PubMed

    Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

    2014-10-22

    We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

  1. Energy Dependence and Scaling Property of Localization Length near a Gapped Flat Band

    NASA Astrophysics Data System (ADS)

    Ge, Li; Tureci, Hakan

    Using a tight-binding model for a one-dimensional Lieb lattice, we show that the localization length near a gapped flat band behaves differently from the typical Urbach tail in a band gap: instead of reducing monotonically as the energy E moves away from the flat band energy Ef, the presence of the flat band causes a nonmonotonic energy dependence of the localization length. This energy dependence follows a scaling property when the energy is within the spread (W) of uniformly distributed diagonal disorder, i.e. the localization length is only a function of (E-Ef)/W. Several other lattices are compared to distinguish the effect of the flat band on the localization length, where we eliminate, shift, or duplicate the flat band, without changing the dispersion relations of other bands. Using the top right element of the Green's matrix, we derive an analytical relation between the density of states and the localization length, which shines light on these properties of the latter, including a summation rule for its inverse. This work is partially supported by NSF under Grant No. DMR-1506987.

  2. Redefining RECs: Additionality in the voluntary Renewable Energy Certificate market

    NASA Astrophysics Data System (ADS)

    Gillenwater, Michael Wayne

    In the United States, electricity consumers are told that they can "buy" electricity from renewable energy projects, versus fossil fuel-fired facilities, through participation in a voluntary green power program. The marketing messages communicate to consumers that their participation and premium payments for a green label will cause additional renewable energy generation and thereby allow them to claim they consume electricity that is absent pollution as well as reduce pollutant emissions. Renewable Energy Certificates (RECs) and wind energy are the basis for the majority of the voluntary green power market in the United States. This dissertation addresses the question: Do project developers respond to the voluntary REC market in the United States by altering their decisions to invest in wind turbines? This question is investigated by modeling and probabilistically quantifying the effect of the voluntary REC market on a representative wind power investor in the United States using data from formal expert elicitations of active participants in the industry. It is further explored by comparing the distribution of a sample of wind power projects supplying the voluntary green power market in the United States against an economic viability model that incorporates geographic factors. This dissertation contributes the first quantitative analysis of the effect of the voluntary REC market on project investment. It is found that 1) RECs should be not treated as equivalent to emission offset credits, 2) there is no clearly credible role for voluntary market RECs in emissions trading markets without dramatic restructuring of one or both markets and the environmental commodities they trade, and 3) the use of RECs in entity-level GHG emissions accounting (i.e., "carbon footprinting") leads to double counting of emissions and therefore is not justified. The impotence of the voluntary REC market was, at least in part, due to the small magnitude of the REC price signal and lack of

  3. First-principle study of energy band structure of armchair graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Ma, Fei; Guo, Zhankui; Xu, Kewei; Chu, Paul K.

    2012-07-01

    First-principle calculation is carried out to study the energy band structure of armchair graphene nanoribbons (AGNRs). Hydrogen passivation is found to be crucial to convert the indirect band gaps into direct ones as a result of enhanced interactions between electrons and nuclei at the edge boundaries, as evidenced from the shortened bond length as well as the increased differential charge density. Ribbon width usually leads to the oscillatory variation of band gaps due to quantum confinement no matter hydrogen passivated or not. Mechanical strain may change the crystal symmetry, reduce the overlapping integral of C-C atoms, and hence modify the band gap further, which depends on the specific ribbon width sensitively. In practical applications, those effects will be hybridized to determine the energy band structure and subsequently the electronic properties of graphene. The results can provide insights into the design of carbon-based devices.

  4. Spins, Parity, Excitation Energies, and Octupole Structure of an Excited Superdeformed Band in {sup 194}Hg and Implications for Identical Bands

    SciTech Connect

    Hackman, G.; Khoo, T.L.; Carpenter, M.P.; Lauritsen, T.; Calderin, I.J.; Janssens, R.V.; Ackermann, D.; Ahmad, I.; Agarwala, S.; Blumenthal, D.J.; Fischer, S.M.; Nisius, D.; Reiter, P.; Young, J.; Amro, H.; Lopez-Martens, A.; Hannachi, F.; Korichi, A.; Amro, H.; Moore, E.F.; Lee, I.Y.; Macchiavelli, A.O.; Do Nakatsukasa, T.

    1997-11-01

    An excited superdeformed band in {sup 194}Hg , observed to decay directly to both normal-deformed and superdeformed yrast states, is proposed to be a K{sup {pi}}=2{sup {minus}} octupole vibrational band, based on its excitation energies, spins, and likely parity. The transition energies are identical to those of the yrast superdeformed band in {sup 192}Hg , but originate from levels with different spins and parities. The evolution of transition energies with spin suggests that cancellations between pairing and particle alignment are partly responsible for the identical transition energies. {copyright} {ital 1997} {ital The American Physical Society}

  5. Oligomeric state of human erythrocyte band 3 measured by fluorescence resonance energy homotransfer.

    PubMed Central

    Blackman, S M; Piston, D W; Beth, A H

    1998-01-01

    The oligomeric state of the erythrocyte anion exchange protein, band 3, has been assayed by resonance energy homotransfer. Homotransfer between oligomeric subunits, labeled with eosin-5-maleimide at Lys430 in the transmembrane domain, has been demonstrated by steady-state and time-resolved fluorescence spectroscopy, and is readily observed by its depolarization of the eosin fluorescence. Polarized fluorescence measurements of HPLC-purified band 3 oligomers indicate that eosin homotransfer increases progressively with increasing species size. This shows that homotransfer also occurs between labeled band 3 dimers as well as within the dimers, making fluorescence anisotropy measurements sensitive to band 3 self-association. Treatment of ghost membranes with either Zn2+ or melittin, agents that cluster band 3, significantly decreases the anisotropy as a result of the increased homotransfer within the band 3 clusters. By comparison with the anisotropy of species of known oligomeric state, the anisotropy of erythrocyte ghost membranes at 37 degrees C is consistent with dimeric and/or tetrameric band 3, and does not require postulation of a fraction of large clusters. Proteolytic removal of the cytoplasmic domain of band 3, which significantly increases the rotational mobility of the transmembrane domain, does not affect its oligomeric state, as reported by eosin homotransfer. These results support a model in which interaction with the membrane skeleton restricts the mobility of band 3 without significantly altering its self-association state. PMID:9675213

  6. Energy Band and Josephson Dynamics of Spin-Orbit Coupled Bose-Einstein Condensates

    NASA Astrophysics Data System (ADS)

    Zhang, Xin; Yu, Zi-Fa; Xue, Ju-Kui

    2015-10-01

    We theoretically investigate the energy band structure and Josephson dynamics of a spin-orbit coupled Bose-Einstein condensate in a double-well potential. We study the energy band structure and the corresponding tunneling dynamics of the system by properly adjusting the SO coupling, Raman coupling, Zeeman field and atomic interactions. The coupled effects of SO coupling, Raman coupling, Zeeman field and atomic interactions lead to the appearance of complex energy band structure including the loop structure. Particularly, the emergence of the loop structure in energy band also depends on SO coupling, Raman coupling, Zeeman field and atomic interactions. Correspondingly, the Josephson dynamics of the system are strongly related to the energy band structure. Especially, the emergence of the loop structure results in complex tunneling dynamics, including suppression-revival transitions and self-trapping of atoms transfer between two spin states and two wells. This engineering provides a possible means for studying energy level and corresponding dynamics of two-species SO coupled BECs. Supported by the National Natural Science Foundation of China under Grant Nos. 11274255 and 11305132, by Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20136203110001, by the Natural Science Foundation of Gansu province under Grant No. 2011GS04358, and by Creation of Science and Technology of Northwest Normal University under Grant Nos. NWNU-KJCXGC-03-48, NWNU-LKQN-12-12

  7. Electronic energy band structure of the double perovskite Ba2MnWO6.

    PubMed

    Fujioka, Yukari; Frantti, Johannes; Nieminen, Risto M

    2008-06-05

    The electronic and magnetic structures of the double perovskite oxide Ba 2MnWO6 (BMW) were determined by employing the density functional theory within the generalized gradient approximation (GGA) + U approach. BMW is considered a prototype double perovskite due to its high degree of B-site ordering and is a good case study for making a comparison between computations and experiments. By adjusting the U-parameter, the electronic energy band structure and magnetic properties, which were consistent with the experimental results, were obtained. These computations revealed that the valence bands are mainly formed from Mn 3d and O 2p states, while the conduction bands are derived from W 5d and O 2p states. The localized bands composed from Mn 3d states are located in the bandgap. The results imply that the formation of polarons in the conduction band initiate the resonance Raman modes observed as a series of equidistant peaks.

  8. Dark energy and dark matter from an additional adiabatic fluid

    NASA Astrophysics Data System (ADS)

    Dunsby, Peter K. S.; Luongo, Orlando; Reverberi, Lorenzo

    2016-10-01

    The dark sector is described by an additional barotropic fluid which evolves adiabatically during the Universe's history and whose adiabatic exponent γ is derived from the standard definitions of specific heats. Although in general γ is a function of the redshift, the Hubble parameter and its derivatives, we find that our assumptions lead necessarily to solutions with γ =constant in a Friedmann-Lemaître-Robertson-Walker universe. The adiabatic fluid acts effectively as the sum of two distinct components, one evolving like nonrelativistic matter and the other depending on the value of the adiabatic index. This makes the model particularly interesting as a way of simultaneously explaining the nature of both dark energy and dark matter, at least at the level of the background cosmology. The Λ CDM model is included in this family of theories when γ =0 . We fit our model to supernovae Ia, H (z ) and baryonic acoustic oscillation data, discussing the model selection criteria. The implications for the early Universe and the growth of small perturbations in this model are also discussed.

  9. Additives

    NASA Technical Reports Server (NTRS)

    Smalheer, C. V.

    1973-01-01

    The chemistry of lubricant additives is discussed to show what the additives are chemically and what functions they perform in the lubrication of various kinds of equipment. Current theories regarding the mode of action of lubricant additives are presented. The additive groups discussed include the following: (1) detergents and dispersants, (2) corrosion inhibitors, (3) antioxidants, (4) viscosity index improvers, (5) pour point depressants, and (6) antifouling agents.

  10. Effects of optical band gap energy, band tail energy and particle shape on photocatalytic activities of different ZnO nanostructures prepared by a hydrothermal method

    NASA Astrophysics Data System (ADS)

    Klubnuan, Sarunya; Suwanboon, Sumetha; Amornpitoksuk, Pongsaton

    2016-03-01

    The dependence of the crystallite size and the band tail energy on the optical properties, particle shape and oxygen vacancy of different ZnO nanostructures to catalyse photocatalytic degradation was investigated. The ZnO nanoplatelets and mesh-like ZnO lamellae were synthesized from the PEO19-b-PPO3 modified zinc acetate dihydrate using aqueous KOH and CO(NH2)2 solutions, respectively via a hydrothermal method. The band tail energy of the ZnO nanostructures had more influence on the band gap energy than the crystallite size. The photocatalytic degradation of methylene blue increased as a function of the irradiation time, the amount of oxygen vacancy and the intensity of the (0 0 0 2) plane. The ZnO nanoplatelets exhibited a better photocatalytic degradation of methylene blue than the mesh-like ZnO lamellae due to the migration of the photoelectrons and holes to the (0 0 0 1) and (0 0 0 -1) planes, respectively under the internal electric field, that resulted in the enhancement of the photocatalytic activities.

  11. High-Energy Anomaly in the Band Dispersion of the Ruthenate Superconductor

    NASA Astrophysics Data System (ADS)

    Iwasawa, H.; Yoshida, Y.; Hase, I.; Shimada, K.; Namatame, H.; Taniguchi, M.; Aiura, Y.

    2012-08-01

    We reveal a “high-energy anomaly” (HEA) in the band dispersion of the unconventional ruthenate superconductor Sr2RuO4, by means of high-resolution angle-resolved photoemission spectroscopy (ARPES) with tunable energy and polarization of incident photons. This observation provides another class of correlated materials exhibiting this anomaly beyond high-Tc cuprates. We demonstrate that two distinct types of band renormalization associated with and without the HEA occur as a natural consequence of the energetics in the bandwidth and the energy scale of the HEA. Our results are well reproduced by a simple analytical form of the self-energy based on the Fermi-liquid theory, indicating that the HEA exists at a characteristic energy scale of the multielectron excitations. We propose that the HEA universally emerges if the systems have such a characteristic energy scale inside of the bandwidth.

  12. Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation

    NASA Astrophysics Data System (ADS)

    Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian

    2016-01-01

    We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.

  13. Including the relativistic kinetic energy in a spline-augmented plane-wave band calculation

    SciTech Connect

    Fehrenbach, G.M.; Schmidt, G.

    1997-03-01

    The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy {radical}(p{sup 2}c{sup 2}+m{sub 0}{sup 2}c{sup 4}){minus}m{sub 0}c{sup 2} in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is lowered by the same amount as the s states. We expect to overcome these deficiencies in future investigations by using a alternative form of the relativistic potential correction along the lines proposed by Douglas and Kroll. {copyright} {ital 1997} {ital The American Physical Society}

  14. Strategic Energy Management Plan for the Santa Ynez Band of Chumash Indians

    SciTech Connect

    Davenport, Lars; Smythe, Louisa; Sarquilla, Lindsey; Ferguson, Kelly

    2015-03-27

    This plan outlines the Santa Ynez Band of Chumash Indians’ comprehensive energy management strategy including an assessment of current practices, a commitment to improving energy performance and reducing overall energy use, and recommended actions to achieve these goals. Vision Statement The primary objective of the Strategic Energy Management Plan is to implement energy efficiency, energy security, conservation, education, and renewable energy projects that align with the economic goals and cultural values of the community to improve the health and welfare of the tribe. The intended outcomes of implementing the energy plan include job creation, capacity building, and reduced energy costs for tribal community members, and tribal operations. By encouraging energy independence and local power production the plan will promote self-sufficiency. Mission & Objectives The Strategic Energy Plan will provide information and suggestions to guide tribal decision-making and provide a foundation for effective management of energy resources within the Santa Ynez Band of Chumash Indians (SYBCI) community. The objectives of developing this plan include; Assess current energy demand and costs of all tribal enterprises, offices, and facilities; Provide a baseline assessment of the SYBCI’s energy resources so that future progress can be clearly and consistently measured, and current usage better understood; Project future energy demand; Establish a system for centralized, ongoing tracking and analysis of tribal energy data that is applicable across sectors, facilities, and activities; Develop a unifying vision that is consistent with the tribe’s long-term cultural, social, environmental, and economic goals; Identify and evaluate the potential of opportunities for development of long-term, cost effective energy sources, such as renewable energy, energy efficiency and conservation, and other feasible supply- and demand-side options; and Build the SYBCI’s capacity for

  15. Coulomb Energy Differences in T = 1 Mirror Rotational Bands in 50Fe and 50Cr

    NASA Astrophysics Data System (ADS)

    Lenzi, S. M.; Mărginean, N.; Napoli, D. R.; Ur, C. A.; Zuker, A. P.; de Angelis, G.; Algora, A.; Axiotis, M.; Bazzacco, D.; Belcari, N.; Bentley, M. A.; Bizzeti, P. G.; Bizzeti-Sona, A.; Brandolini, F.; von Brentano, P.; Bucurescu, D.; Cameron, J. A.; Chandler, C.; de Poli, M.; Dewald, A.; Eberth, H.; Farnea, E.; Gadea, A.; Garces-Narro, J.; Gelletly, W.; Grawe, H.; Isocrate, R.; Joss, D. T.; Kalfas, C. A.; Klug, T.; Lampman, T.; Lunardi, S.; Martínez, T.; Martínez-Pinedo, G.; Menegazzo, R.; Nyberg, J.; Podolyak, Zs.; Poves, A.; Ribas, R. V.; Rossi Alvarez, C.; Rubio, B.; Sánchez-Solano, J.; Spolaore, P.; Steinhardt, T.; Thelen, O.; Tonev, D.; Vitturi, A.; von Oertzen, W.; Weiszflog, M.

    2001-09-01

    Gamma rays from the N = Z-2 nucleus 50Fe have been observed, establishing the rotational ground state band up to the state Jπ = 11+ at 6.994 MeV excitation energy. The experimental Coulomb energy differences, obtained by comparison with the isobaric analog states in its mirror 50Cr, confirm the qualitative interpretation of the backbending patterns in terms of successive alignments of proton and neutron pairs. A quantitative agreement with experiment has been achieved by exact shell model calculations, incorporating the differences in radii along the yrast bands, and properly renormalizing the Coulomb matrix elements in the pf model space.

  16. Effective parameters in beam acoustic metamaterials based on energy band structures

    NASA Astrophysics Data System (ADS)

    Jing, Li; Wu, Jiu Hui; Guan, Dong; Hou, Mingming; Kuan, Lu; Shen, Li

    2016-07-01

    We present a method to calculate the effective material parameters of beam acoustic metamaterials. The effective material parameters of a periodic beam are calculated as an example. The dispersion relations and energy band structures of this beam are calculated. Subsequently, the effective material parameters of the beam are investigated by using the energy band structures. Then, the modal analysis and transmission properties of the beams with finite cells are simulated in order to confirm the correctness of effective approximation. The results show that the periodic beam can be equivalent to the homogeneous beam with dynamic effective material parameters in passband.

  17. Effect of Γ-X band mixing on the donor binding energy in a Quantum Wire

    NASA Astrophysics Data System (ADS)

    Vijaya Shanthi, R.; Jayakumar, K.; Nithiananthi, P.

    2015-02-01

    To invoke the technological applications of heterostructure semiconductors like Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD), it is important to understand the property of impurity energy which is responsible for the peculiar electronic & optical behavior of the Low Dimensional Semiconductor Systems (LDSS). Application of hydrostatic pressure P>35kbar drastically alters the band offsets leading to the crossover of Γ band of the well & X band of the barrier resulting in an indirect transition of the carrier and this effect has been studied experimentally and theoretically in a QW structure. In this paper, we have investigated the effect of Γ-X band mixing due to the application of hydrostatic pressure in a GaAs/AlxGa1-xAs QWW system. The results are presented and discussed for various widths of the wire.

  18. Wavelet package frequency-band energy ratios of human EEG signals in sleeping

    NASA Astrophysics Data System (ADS)

    Wang, Li; Han, Qingpeng; Wang, Ping; Wen, Bangchun

    2005-12-01

    Human EEG (Electroencephalogram) signals, including 4 rhythms i.e. δ, θ, α, β, are typically nonlinear. They just coincide with different human sleeping states. The wavelet package decomposition and reconstruction techniques are firstly introduced in order to analyze the nonlinear EEG. A 6 level decomposition of EEG was achieved with "db20" as the mother wavelet, and the above 4 rhythms were combined with specialized 8 frequency sub-bands obtained in wavelet package transform. The four frequency band energy ratios, with normalized values, were calculated from the reconstructed signals. These frequency band energy ratios are used as quantify estimation indexes for human sleeping states. The experimental results confirm the proposed method to be effective.

  19. Lateral energy band profile modulation in tunnel field effect transistors based on gate structure engineering

    NASA Astrophysics Data System (ADS)

    Cui, Ning; Liang, Renrong; Wang, Jing; Xu, Jun

    2012-06-01

    Choosing novel materials and structures is important for enhancing the on-state current in tunnel field-effect transistors (TFETs). In this paper, we reveal that the on-state performance of TFETs is mainly determined by the energy band profile of the channel. According to this interpretation, we present a new concept of energy band profile modulation (BPM) achieved with gate structure engineering. It is believed that this approach can be used to suppress the ambipolar effect. Based on this method, a Si TFET device with a symmetrical tri-material-gate (TMG) structure is proposed. Two-dimensional numerical simulations demonstrated that the special band profile in this device can boost on-state performance, and it also suppresses the off-state current induced by the ambipolar effect. These unique advantages are maintained over a wide range of gate lengths and supply voltages. The BPM concept can serve as a guideline for improving the performance of nanoscale TFET devices.

  20. Energy band alignment in chalcogenide thin film solar cells from photoelectron spectroscopy.

    PubMed

    Klein, Andreas

    2015-04-10

    Energy band alignment plays an important role in thin film solar cells. This article presents an overview of the energy band alignment in chalcogenide thin film solar cells with a particular focus on the commercially available material systems CdTe and Cu(In,Ga)Se2. Experimental results from two decades of photoelectron spectroscopy experiments are compared with density functional theory calculations taken from literature. It is found that the experimentally determined energy band alignment is in good agreement with theoretical predictions for many interfaces. These alignments, in particular the theoretically predicted alignments, can therefore be considered as the intrinsic or natural alignments for a given material combination. The good agreement between experiment and theory enables a detailed discussion of the interfacial composition of Cu(In,Ga)Se2/CdS interfaces in terms of the contribution of ordered vacancy compounds to the alignment of the energy bands. It is furthermore shown that the most important interfaces in chalcogenide thin film solar cells, those between Cu(In,Ga)Se2 and CdS and between CdS and CdTe are quite insensitive to the processing of the layers. There are plenty of examples where a significant deviation between experimentally-determined band alignment and theoretical predictions are evident. In such cases a variation of band alignment of sometimes more than 1 eV depending on interface preparation can be obtained. This variation can lead to a significant deterioration of device properties. It is suggested that these modifications are related to the presence of high defect concentrations in the materials forming the contact. The particular defect chemistry of chalcogenide semiconductors, which is related to the ionicity of the chemical bond in these materials and which can be beneficial for material and device properties, can therefore cause significant device limitations, as e.g. in the case of the CuInS2 thin film solar cells or for new

  1. Band gap widening at random CIGS grain boundary detected by valence electron energy loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Keller, Debora; Buecheler, Stephan; Reinhard, Patrick; Pianezzi, Fabian; Bissig, Benjamin; Carron, Romain; Hage, Fredrik; Ramasse, Quentin; Erni, Rolf; Tiwari, Ayodhya N.

    2016-10-01

    Cu(In,Ga) Se2 (CIGS) thin film solar cells have demonstrated very high efficiencies, but still the role of nanoscale inhomogeneities in CIGS and their impact on the solar cell performance are not yet clearly understood. Due to the polycrystalline structure of CIGS, grain boundaries are very common structural defects that are also accompanied by compositional variations. In this work, we apply valence electron energy loss spectroscopy in scanning transmission electron microscopy to study the local band gap energy at a grain boundary in the CIGS absorber layer. Based on this example, we demonstrate the capabilities of a 2nd generation monochromator that provides a very high energy resolution and allows for directly relating the chemical composition and the band gap energy across the grain boundary. A band gap widening of about 20 meV is observed at the grain boundary. Furthermore, the compositional analysis by core-loss EELS reveals an enrichment of In together with a Cu, Ga and Se depletion at the same area. The experimentally obtained results can therefore be well explained by the presence of a valence band barrier at the grain boundary.

  2. Determination of Energy Band Alignment in Ultrathin Hf-based Oxide/Pt System

    NASA Astrophysics Data System (ADS)

    Ohta, A.; Murakami, H.; Higashi, S.; Miyazaki, S.

    2013-03-01

    Effect of incorporating a third element into HfO2 on the electronic structures has been studied by high resolution x-ray photoelectron spectroscopy (XPS). Hf-IIIa (La, Y, Gd, and Dy) oxide and Hf-Ti oxide films were deposited on a Pt layer by metal organic chemical vapor deposition (MOCVD) and co-sputtering and followed by post-deposition annealing in O2 ambience at 500°C. The energy bandgap (Eg) of these Hf-based oxide films was determined by analyzing the energy loss spectra of O 1s photoelectrons in consideration of the overlap with Hf 4s core-line signals. From analyses of the valence band signals and the cut-off energy for photoelectrons, the valence band offset between the Hf based-oxide, and the Pt electrode and the work function value of the Pt layer were evaluated. By combining the oxide bandgap values, the valence band line-ups, and the Pt work function value, the energy band profile of the Hf-based oxide/Pt has been determined.

  3. Excitation energies and spins of the yrast superdeformed band in {sup 191}Hg

    SciTech Connect

    Siem, S.; Reiter, P.; Khoo, T.L.; Lauritsen, T.; Carpenter, M.P.; Ahmad, I.; Calderin, I.J.; Duguet, T.; Fischer, S.M.; Gassmann, D.; Hackman, G.; Janssens, R.V.F.; Nisius, D.; Heenen, P.-H.; Amro, H.; Moore, E.F.; Doessing, T.; Garg, U.; Kharraja, B.; Hannachi, F.

    2004-07-01

    The excitation energies and spins of the levels in the yrast superdeformed band of {sup 191}Hg have been determined from two single-step {gamma} transitions and the quasicontinuum spectrum connecting the superdeformed and normal-deformed states. The results are compared with those from theoretical mean-field calculations with different interactions. A discussion of pairing in superdeformed states is also included.

  4. Nanoscale mapping of optical band gaps using monochromated electron energy loss spectroscopy.

    PubMed

    Zhan, W; Granerød, C S; Venkatachalapathy, V; Johansen, K M H; Jensen, I J T; Kuznetsov, A Yu; Prytz, Ø

    2017-03-10

    Using monochromated electron energy loss spectroscopy in a probe-corrected scanning transmission electron microscope we demonstrate band gap mapping in ZnO/ZnCdO thin films with a spatial resolution below 10 nm and spectral precision of 20 meV.

  5. Nanoscale mapping of optical band gaps using monochromated electron energy loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhan, W.; Granerød, C. S.; Venkatachalapathy, V.; Johansen, K. M. H.; Jensen, I. J. T.; Kuznetsov, A. Yu; Prytz, Ø.

    2017-03-01

    Using monochromated electron energy loss spectroscopy in a probe-corrected scanning transmission electron microscope we demonstrate band gap mapping in ZnO/ZnCdO thin films with a spatial resolution below 10 nm and spectral precision of 20 meV.

  6. Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding

    NASA Astrophysics Data System (ADS)

    Xu, Yun; Chen, Jun

    2015-02-01

    The energy flux integral criterion based on atomistic potentials within the framework of hyperelasticity-plasticity is proposed for dynamic adiabatic shear banding (ASB). System Helmholtz energy decomposition reveals that the dynamic influence on the integral path dependence is originated from the volumetric strain energy and partial deviatoric strain energy, and the plastic influence only from the rest part of deviatoric strain energy. The concept of critical shear banding energy is suggested for describing the initiation of ASB, which consists of the dynamic recrystallization (DRX) threshold energy and the thermal softening energy. The criterion directly relates energy flux to the basic physical processes that induce shear instability such as dislocation nucleations and multiplications, without introducing ad-hoc parameters in empirical constitutive models. It reduces to the classical path independent J-integral for quasi-static loading and elastic solids. The atomistic-to-continuum multiscale coupling method is used to simulate the initiation of ASB. Atomic configurations indicate that DRX induced microstructural softening may be essential to the dynamic shear localization and hence the initiation of ASB.

  7. Band gap energy and optical transitions in polyenes formed by thermal decomposition of polyvinyl alcohol

    NASA Astrophysics Data System (ADS)

    Kulak, A. I.; Bondarava, G. V.; Shchurevich, O. A.

    2013-07-01

    The band gap of the ensemble of oligoene clusters formed by thermocatalytic decomposition of polyvinyl alcohol is parametrized using optical absorption spectra. A band gap energy of E gm =1.53 ± 0.02 eV at the end of an infinite polyene chain is found by extrapolating the energies of π → π* transitions in clusters with a number of double bonds varying from 4 to 12. This value is close to the band gap of trans-polyacetylene and the lower bound for the Tauc energy E gT =1.50 eV, which characterizes the minimum interband transition energy. E gT is essentially independent of the concentration of oligoene clusters, which is determined by the concentration of the AlCl3 thermal decomposition catalyst. The Urbach energy determined from the long wavelength edge of the spectrum falls from 2.21 to 0.66 eV as the AlCl3 concentration is raised from 11.1 to 41.7 mmol per mol of polyvinyl alcohol structural units.

  8. Energy transfer from Rhodamine-B to Oxazine-170 in the presence of photonic stop band

    NASA Astrophysics Data System (ADS)

    Kedia, Sunita; Sinha, Sucharita

    2015-03-01

    Photonic crystals can effectively suppress spontaneous emission of embedded emitter in the direction were photonic stop band overlaps emission band of emitter. This property of PhC has been successfully exploited to enhance energy transfer from a donor Rhodamine-B dye to an acceptor Oxazine-170 dye by inhibiting the fluorescence emission of donor in a controlled manner. Self-assembled PhC were synthesized using RhB dye doped polystyrene microspheres subsequently infiltrated with O-170 dye molecules dissolved in ethanol. An angle dependent enhancement of emission intensity of acceptor via energy transfer in photonic crystal environment was observed. These results were compared with observations made on a dye mixture solution of the same two dyes. Restricted number of available modes in photonic crystal inhibited de-excitation of donor thereby enabling efficient transfer of energy from excited donor to acceptor dye molecules.

  9. Intervalley energy of GaN conduction band measured by femtosecond pump-probe spectroscopy

    NASA Astrophysics Data System (ADS)

    Marcinkevičius, Saulius; Uždavinys, Tomas K.; Foronda, Humberto M.; Cohen, Daniel A.; Weisbuch, Claude; Speck, James S.

    2016-12-01

    Time-resolved transmission and reflection measurements were performed for bulk GaN at room temperature to evaluate the energy of the first conduction band satellite valley. The measurements showed clear threshold-like spectra for transmission decay and reflection rise times. The thresholds were associated with the onset of the intervalley electron scattering. Transmission measurements with pump and probe pulses in the near infrared produced an intervalley energy of 0.97 ±0.02 eV. Ultraviolet pump and infrared probe reflection provided a similar value. Comparison of the threshold energies obtained in these experiments allowed estimating the hole effective mass in the upper valence band to be 1.4 m0 . Modeling of the reflection transients with rate equations has allowed estimating electron-LO (longitudinal optical) phonon scattering rates and the satellite valley effective mass.

  10. Determination of the first satellite valley energy in the conduction band of wurtzite GaN by near-band-gap photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Piccardo, Marco; Martinelli, Lucio; Iveland, Justin; Young, Nathan; DenBaars, Steven P.; Nakamura, Shuji; Speck, James S.; Weisbuch, Claude; Peretti, Jacques

    2014-06-01

    The position of the first satellite valley in wurtzite GaN is directly determined by near-band-gap photoemission spectroscopy of p-doped GaN activated to negative electron affinity. The photoemission spectra exhibit two structures, with fixed energy position, which originate from electrons accumulated in the conduction band valleys of the bulk material. We assigned the two observed features respectively to Γ and L valleys and obtain an intervalley energy separation of 0.90±0.08 eV, well below the theoretical values of the lowest subsidiary valley energy provided by ab initio calculations.

  11. Fragile surface zero-energy flat bands in three-dimensional chiral superconductors

    NASA Astrophysics Data System (ADS)

    Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi

    2015-12-01

    We study surface zero-energy flat bands in three-dimensional chiral superconductors with pz(px+i py) ν -wave pairing symmetry (ν is a nonzero integer), based on topological arguments and tunneling conductance. It is shown that the surface flat bands are fragile against (i) the surface misorientation and (ii) the surface Rashba spin-orbit interaction. The fragility of (i) is specific to chiral SCs, whereas that of (ii) happens for general odd-parity SCs. We demonstrate that these flat-band instabilities vanish or suppress a zero-bias conductance peak in a normal/insulator/superconductor junction, which behavior is clearly different from high-Tc cuprates and noncentrosymmetric superconductors. By calculating the angle-resolved conductance, we also discuss a topological surface state associated with the coexistence of line and point nodes.

  12. Search for two-{gamma} sum-energy peaks in the decay out of superdeformed bands

    SciTech Connect

    Blumenthal, D.; Khoo, T.L.; Lauritsen, T.

    1995-08-01

    The spectrum of {gamma}rays decaying out of the superdeformed (SD) band in {sup 192}Hg has a quasicontinuous distribution. Whereas methods to construct level schemes from discrete lines in coincidence spectra are well established, new techniques must still be developed to extract information from coincidences involving quasicontinuous {gamma}rays. From an experiment using Eurogam, we obtained impressively clean 1- and 2-dimensional {gamma} spectra from pairwise or single gates, respectively, on the transitions of the SD band in {sup 192}Hg. We investigated methods to exploit the 2-dimensional quasicontinuum spectra coincident with the SD band to determine the excitation energy of the SD band above the normal yrast line. No strong peaks were observed in the 2-{gamma} sum spectra; only candidates of peaks at a 2-3 {sigma} level were found. This suggests that 2-{gamma} decay is not the dominant decay branch out of SD bands, consistent with the observed multiplicity of 3.2. We shall next search for peaks in sum-spectra of 3 {gamma}s.

  13. Augustine Band of Cahuilla Indians Energy Conservation and Options Analysis - Final Report

    SciTech Connect

    Paul Turner

    2008-07-11

    The Augustine Band of Cahuilla Indians was awarded a grant through the Department of Energy First Steps program in June of 2006. The primary purpose of the grant was to enable the Tribe to develop energy conservation policies and a strategy for alternative energy resource development. All of the work contemplated by the grant agreement has been completed and the Tribe has begun implementing the resource development strategy through the construction of a 1.0 MW grid-connected photovoltaic system designed to offset a portion of the energy demand generated by current and projected land uses on the Tribe’s Reservation. Implementation of proposed energy conservation policies will proceed more deliberately as the Tribe acquires economic development experience sufficient to evaluate more systematically the interrelationships between conservation and its economic development goals.

  14. Quantitative operando visualization of the energy band depth profile in solar cells

    PubMed Central

    Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei

    2015-01-01

    The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference. PMID:26166580

  15. Quantitative operando visualization of the energy band depth profile in solar cells.

    PubMed

    Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei

    2015-07-13

    The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference.

  16. STABILITY IN BCC TRANSITION METALS: MADELUNG AND BAND-ENERGY EFFECTS DUE TO ALLOYING

    SciTech Connect

    Landa, A; Soderlind, P; Ruban, A; Peil, O; Vitos, L

    2009-08-28

    The phase stability of the bcc Group VB (V, Nb, and Ta) transition metals is explored by first-principles electronic-structure calculations. Alloying with a small amount of a neighboring metal can either stabilize or destabilize the bcc phase. This counterintuitive behavior is explained by competing mechanisms that dominate depending on particular dopand. We show that band-structure effects dictate stability when a particular Group VB metal is alloyed with its nearest neighbors within the same d-transition series. In this case, the neighbor with less (to the left) and more (to the right) d electrons, destabilize and stabilize bcc, respectively. When alloying with neighbors of different d-transition series, electrostatic Madelung energy dominates over the band energy and always stabilizes the bcc phase.

  17. Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

    NASA Astrophysics Data System (ADS)

    Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.

    2016-07-01

    Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from -1.2 eV for the cubic ice basal surface up to -1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

  18. Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

    SciTech Connect

    Inaoka, Takeshi Furukawa, Takuro; Toma, Ryo; Yanagisawa, Susumu

    2015-09-14

    By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operates unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.

  19. Coulomb energy differences in analog rotational bands of f7/2-shell nuclei

    NASA Astrophysics Data System (ADS)

    Lenzi, S. M.; Mǎrginean, N.; Napoli, D. R.; Ur, C. A.; Zuker, A. P.; Axiotis, M.; Brandolini, F.; de Angelis, G.; Farnea, E.; Gadea, A.; Martínez-Pinedo, G.; Poves, A.; Sánchez-Solano, J.

    2002-04-01

    Recent experimental and shell model studies of isospin symmetry along the ground state rotational bands in the mirror nuclei 50Fe and 50Cr are presented. This is the heaviest T=1 mirror pair studied so far at high spin. It is shown that the Coulomb energy differences provide a good tool to probe the alignment mechanism at the backbending and that they also give information about the evolution of yrast radii as a function of the angular momentum. .

  20. The Effect of Carbon Nanotube on Band Gap Energy of TiO2 Nanoparticles

    NASA Astrophysics Data System (ADS)

    Taleshi, F.

    2015-05-01

    A composite of TiO2-carbon nanotubes (CNTs) was synthesized via a sol-gel method. The structure and morphology of the nanocomposite samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The optical properties of the samples were studied using UV-Vis spectroscopy. The results show that CNTs can decrease the value of band gap energy of TiO2 nanoparticles considerably.

  1. On the influence of nonlinearities on vibrational energy transduction under band-limited noise excitations

    NASA Astrophysics Data System (ADS)

    Nakano, K.; Su, D.; Zheng, R.; Cartmell, M.

    2016-09-01

    Vibrational energy harvesters are often excited by band-limited noise excitations. In this paper, the influence of the stiffness nonlinearity on the transduction of the energy harvester and the relative performance of linear, monostable hardening-type and bistable energy harvesters are compared and investigated. The performance is experimentally compared under band-limited noise excitations of different levels, bandwidths, and centre frequencies at first. The rms output power delivered to the same load resistance is measured and compared under the same excitation levels, which indicts the constant electrical damping level. It is shown that the effect of nonlinearities is strongly dependent on the excitation parameters. Under a moderate excitation level it is shown that the monostable hardening-type oscillator performs worse than its linear counterpart under band-limited excitation. However, the results also illustrate that for the most part of the frequency and bandwidth range considered, the bistable harvester can outperforms the linear variant but for around the peak output area. Moreover, the comparison is also numerically conducted with the consideration of the optimised electrical damping level and the displacement constraint of the device. General conclusions are drawn based on the experimental observations.

  2. Pressure dependence of the band-gap energy in BiTeI

    NASA Astrophysics Data System (ADS)

    Güler-Kılıç, Sümeyra; Kılıç, ćetin

    2016-10-01

    The evolution of the electronic structure of BiTeI, a layered semiconductor with a van der Waals gap, under compression is studied by employing semilocal and dispersion-corrected density-functional calculations. Comparative analysis of the results of these calculations shows that the band-gap energy of BiTeI decreases till it attains a minimum value of zero at a critical pressure, after which it increases again. The critical pressure corresponding to the closure of the band gap is calculated, at which BiTeI becomes a topological insulator. Comparison of the critical pressure to the pressure at which BiTeI undergoes a structural phase transition indicates that the closure of the band gap would not be hindered by a structural transformation. Moreover, the band-gap pressure coefficients of BiTeI are computed, and an expression of the critical pressure is devised in terms of these coefficients. Our findings indicate that the semilocal and dispersion-corrected approaches are in conflict about the compressibility of BiTeI, which result in overestimation and underestimation, respectively. Nevertheless, the effect of pressure on the atomic structure of BiTeI is found to be manifested primarily as the reduction of the width of the van der Waals gap according to both approaches, which also yield consistent predictions concerning the interlayer metallic bonding in BiTeI under compression. It is consequently shown that the calculated band-gap energies follow qualitatively and quantitatively the same trend within the two approximations employed here, and the transition to the zero-gap state occurs at the same critical width of the van der Waals gap.

  3. Vanishing Electronic Energy Loss of Very Slow Light Ions in Insulators with Large Band Gaps

    SciTech Connect

    Markin, S. N.; Primetzhofer, D.; Bauer, P.

    2009-09-11

    Electronic energy loss of light ions in nanometer films of materials with large band gaps has been studied for very low velocities. For LiF, a threshold velocity is observed at 0.1 a.u. (250 eV/u), below which the ions move without transferring energy to the electronic system. For KCl, a lower (extrapolated) threshold velocity is found, identical for H and He ions. For SiO{sub 2}, no clear velocity threshold is observed for He particles. For protons and deuterons, electronic stopping is found to perfectly fulfill velocity scaling, as expected for binary ion-electron interaction.

  4. Energy transport in weakly nonlinear wave systems with narrow frequency band excitation.

    PubMed

    Kartashova, Elena

    2012-10-01

    A novel discrete model (D model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of energy transport between modes, namely, intermittency and energy cascade, and gives the conditions under which each regime will take place. Conditions for the formation of a cascade, cascade direction, conditions for cascade termination, etc., are given and depend strongly on the choice of excitation parameters. The energy spectra of a cascade may be computed, yielding discrete and continuous energy spectra. The model does not require statistical assumptions, as all effects are derived from the interaction of distinct modes. In the example given-surface water waves with dispersion function ω(2)=gk and small nonlinearity-the D model predicts asymmetrical growth of side-bands for Benjamin-Feir instability, while the transition from discrete to continuous energy spectrum, excitation parameters properly chosen, yields the saturated Phillips' power spectrum ~g(2)ω(-5). The D model can be applied to the experimental and theoretical study of numerous wave systems appearing in hydrodynamics, nonlinear optics, electrodynamics, plasma, convection theory, etc.

  5. Pulsars in the Mid-Energy Gamma-Ray Band - Implications for ComPair

    NASA Astrophysics Data System (ADS)

    Ferrara, Elizabeth; Harding, Alice; ComPair Team

    2017-01-01

    The investigation of the high-energy gamma-ray band by Fermi has revolutionized our understanding of the populations of pulsars - and by extension neutron starts - in the Galactic field. However, there exist a number of pulsars with energy output that peaks below 500 GeV, and whose gamma-ray characteristics are not well constrained by Fermi. The Compton-Pair Telescope (ComPair) is a proposed wide-field medium-energy gamma-ray mission (0.2 keV to > 500 MeV), re-opening an energy regime that was last investigated by COMPTEL on the Compton Gamma-Ray Observatory. The increased sensitivity and spatial resolution of the proposed instrument may lead to a similar knowledge revolution for these MeV-peaked pulsars. Here we discuss the properties of the MeV-peaked pulsar population, and speculate on the potential new science that ComPair may provide.

  6. The optical band gap and surface free energy of polyethylene modified by electron beam irradiations

    NASA Astrophysics Data System (ADS)

    Abdul-Kader, A. M.

    2013-04-01

    In this study, investigations have been carried out on electron beam irradiated ultra high molecular weight polyethylene (UHMWPE). Polyethylene samples were irradiated with 1.5 MeV electron beam at doses ranging from 50 to 500 kGy. Modifications in optical properties and photoluminescence behavior of the polymer were evaluated by UV-vis and photoluminescence techniques. Changes of surface layer composition of UHMWPE produced by electron irradiations were studied by Rutherford back scattering spectrometry (RBS). The change in wettability and surface free energy induced by irradiations was also investigated. The optical absorption studies reveal that both optical band gap and Urbach's energy decreases with increasing electron dose. A correlation between energy gap and the number of carbon atoms in clusters is discussed. Photoluminescence spectra were reveal remarkable decrease in the integrated luminescence intensity with increasing irradiation dose. Contact angle measurements showed that wettability and surface free energy increases with increasing the irradiation dose.

  7. Energy conversion within infrared plasmonic absorption metamaterials for multi-band resonance

    NASA Astrophysics Data System (ADS)

    Li, Yongqian; Su, Lei; Xu, Xiaolun; Zhang, Chenglin; Wang, Binbin

    2015-05-01

    The energy conversion within the cross-shaped plasmonic absorber metamaterials (PAM) was investigated theoretically and numerically in the infrared range based on the Poynting's theorem of electromagnetic energy. From the microscopic details, the heat generation owing to the electric current accounts for the majority of the energy conversion, while the magnetic resonance plays a negligible role. The PAMs possess three distinct resonant peaks standing independently, which are attributed to the polarization sensitive excitation of plasmonic resonance. Field redistribution and enhancement associated with multiplex resonant electromagnetic wave passing through the PAM medium provided insight into the energy conversion processes inside the nanostructure. The research results will assist the design of novel plasmon enhanced infrared detectors with multiple-band detection.

  8. The energy-band alignment at molybdenum disulphide and high-k dielectrics interfaces

    SciTech Connect

    Tao, Junguang; Chai, J. W.; Zhang, Z.; Pan, J. S.; Wang, S. J.

    2014-06-09

    Energy-band alignments for molybdenum disulphide (MoS{sub 2}) films on high-k dielectric oxides have been studied using photoemission spectroscopy. The valence band offset (VBO) at monolayer MoS{sub 2}/Al{sub 2}O{sub 3} (ZrO{sub 2}) interface was measured to be 3.31 eV (2.76 eV), while the conduction-band offset (CBO) was 3.56 eV (1.22 eV). For bulk MoS{sub 2}/Al{sub 2}O{sub 3} interface, both VBO and CBO increase by ∼0.3 eV, due to the upwards shift of Mo 4d{sub z{sup 2}} band. The symmetric change of VBO and CBO implies Fermi level pinning by interfacial states. Our finding ensures the practical application of both p-type and n-type MoS{sub 2} based complementary metal-oxide semiconductor and other transistor devices using Al{sub 2}O{sub 3} and ZrO{sub 2} as gate materials.

  9. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    SciTech Connect

    Caro, Miguel A.; Määttä, Jukka; Lopez-Acevedo, Olga; Laurila, Tomi

    2015-01-21

    In this paper, we obtain the energy band positions of amorphous carbon (a–C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp{sup 2} sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

  10. Influence of In-N Clusters on Band Gap Energy of Dilute Nitride In x Ga1-x N y As1-y

    NASA Astrophysics Data System (ADS)

    Zhao, Chuan-Zhen; Guo, Heng-Fei; Chen, Li-Ying; Tang, Chun-Xiao; Lu, Ke-Qing

    2016-05-01

    The In-N clusters form in the dilute nitride InxGa1-xNyAs1-y alloys after annealing. It is found that the formation of the In-N clusters not only raises the N levels lying above the conduction band minimum (CBM) of InGaAs, but also raises the N levels below the CBM of InGaAs, leading to the variation of the impurity-host interaction. The blueshift of the band gap energy is relative to the variation of the impurity-host interaction. In order to describe the blueshift of the band gap energy due to the formation of the In-N clusters, a model is developed. It is found that the model can describe the blueshift of the band gap energy well. In addition, it is found the blueshift of the band gap energy due to the atom interdiffusion at the interface can be larger than that due to the formation of the In-N clusters. Supported by the National Natural Science Foundation of China under Grant No. 61504094, Tinjin Research Program of Application Foundation and Advanced Technology under No. 15JCYBJC16300, and Tianjin City High School Science and Technology Fund Planning Project No. 20120609

  11. Satellite observations of energy-banded ions during large geomagnetic storms: Event studies, statistics, and comparisons to source models

    NASA Astrophysics Data System (ADS)

    Colpitts, C. A.; Cattell, C. A.; Kozyra, J. U.; Thomsen, M. F.; Lavraud, B.

    2016-07-01

    Energy-banded ions from tens to ten thousands of eV are observed in the low-latitude auroral and subauroral zones during every large (minimum Dst < -150 nT) geomagnetic storm encountered by the FAST satellite. The banded ions persist for many FAST orbits, lasting up to 12 h, in both the northern and southern hemispheres. The energy-banded ions often have more than six distinct bands, and the O+, He+, and H+ bands are often observed at the same energies. The bands are extensive in latitude (~50-75° on the dayside, often extending to 45°) and magnetic local time, covering all magnetic local time over the data set of storms. The distributions are peaked in the perpendicular direction at the altitudes of the FAST satellite (~350-4175 km), although in some cases the precipitating component dominates for the lowest energy bands. At the same time, for some of the events studied in detail, long-lasting intervals of field-aligned energy dispersed ions from ~100 eV to 40 keV are seen in Los Alamos National Laboratory geosynchronous observations, primarily on the dayside and after magnetosheath encounters (i.e., highly compressed magnetosphere). We present both case and statistical studies of the banded ions. These bands are a new phenomenon associated with all large storms, which are distinctly different from other banded populations, and are not readily interpreted using previous models for particle sources, transport, and loss. The energy-banded ions are an energetically important component of the inner magnetosphere during the most intense magnetic storms.

  12. Energy-band structure of CdTe and Si: a sp 3(s ∗) 2k.p model

    NASA Astrophysics Data System (ADS)

    Boujdaria, Kais; Zitouni, Omar

    2004-01-01

    The energy bands of the direct-band-gap semiconductor (CdTe) as well as the indirect-band-gap semiconductor (Si), throughout the entire Brillouin zone, have been obtained by diagonalizing a 24×24 k.p Hamiltonian referred to basis states at k=0. We extend the sp 3s ∗ basis functions by the inclusion of sV∗ orbitals. We find that the sp 3'd'(s ∗) 2k.p model is fairly sufficient to describe the electronic structure of these systems over a wide energy range, obviating the use of any d orbitals. Finally, the comparison with available theoretical results shows that the present model reproduces known results for bulk CdTe and Si, that is, their band structure, including s and p valence bands and the lowest two conduction bands.

  13. Nudged-elastic band used to find reaction coordinates based on the free energy.

    PubMed

    Bohner, Matthias U; Zeman, Johannes; Smiatek, Jens; Arnold, Axel; Kästner, Johannes

    2014-02-21

    Transition paths characterize chemical reaction mechanisms. In this paper, we present a new method to find mean reaction paths based on the free energy. A nudged elastic band (NEB) is optimized using gradients and Hessians of the free energy, which are obtained from umbrella integration. The transition state can be refined by a Newton-Raphson search starting from the highest point of the NEB path. All optimizations are done using Cartesian coordinates. Independent molecular dynamics (MD) runs are performed at each image used to discretize the path. This makes the method intrinsically parallel. In contrast to other free energy methods, the algorithm does not become more expensive when including more degrees of freedom in the active space. The method is applied to the alanine-dipeptide as a test case and compared to pathways that have been derived from metadynamics and forward flux sampling.

  14. Characterization of a 2D soft x-ray tomography camera with discrimination in energy bands

    SciTech Connect

    Romano, A.; Pacella, D.; Gabellieri, L.; Tilia, B.; Piergotti, V.; Mazon, D.; Malard, P.

    2010-10-15

    A gas detector with a 2D pixel readout is proposed for a future soft x-ray (SXR) tomography with discrimination in energy bands separately per pixel. The detector has three gas electron multiplier foils for the electron amplification and it offers the advantage, compared with the single stage, to be less sensitive to neutrons and gammas. The energy resolution and the detection efficiency of the detector have been accurately studied in the laboratory with continuous SXR spectra produced by an electronic tube and line emissions produced by fluorescence (K, Fe, and Mo) in the range of 3-17 keV. The front-end electronics, working in photon counting mode with a selectable threshold for pulse discrimination, is optimized for high rates. The distribution of the pulse amplitude has been indirectly derived by means of scans of the threshold. Scans in detector gain have also been performed to assess the capability of selecting different energy ranges.

  15. Intermolecular energy-band dispersion in oriented thin films of bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) by angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Hasegawa, Shinji; Mori, Takehiko; Imaeda, Kenichi; Tanaka, Shoji; Yamashita, Yoshiro; Inokuchi, Hiroo; Fujimoto, Hitoshi; Seki, Kazuhiko; Ueno, Nobuo

    1994-05-01

    Angle-resolved ultraviolet photoemission spectra using synchrotron radiation were measured for oriented thin films of bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) (BTQBT) on graphite. From the photon energy dependence of normal emission spectra, the energy-band dispersion of π-bands were observed for the highest (HOMO) and next highest (NHOMO) bands. This is the first observation of intermolecular dispersion in a single-component organic molecular crystal. The results demonstrate that the BTQBT molecules have a strong intermolecular interaction, which can be derived from the introduction of a covalent interaction between sulfur atoms in addition to the usual intermolecular interaction by van der Waals forces.

  16. The Analysis of Hand Movement Distinction Based on Relative Frequency Band Energy Method

    PubMed Central

    Zhang, Yanyan; Teng, Chaolin; Sun, Zhongjiang; Wang, Jue

    2014-01-01

    For the purpose of successfully developing a prosthetic control system, many attempts have been made to improve the classification accuracy of surface electromyographic (SEMG) signals. Nevertheless, the effective feature extraction is still a paramount challenge for the classification of SEMG signals. The relative frequency band energy (RFBE) method based on wavelet packet decomposition was proposed for the prosthetic pattern recognition of multichannel SEMG signals. Firstly, the wavelet packet energy of SEMG signals in each subspace was calculated by using wavelet packet decomposition and the RFBE of each frequency band was obtained by the wavelet packet energy. Then, the principal component analysis (PCA) and the Davies-Bouldin (DB) index were used to perform the feature selection. Lastly, the support vector machine (SVM) was applied for the classification of SEMG signals. Our results demonstrated that the RFBE approach was suitable for identifying different types of forearm movements. By comparing with other classification methods, the proposed method achieved higher classification accuracy in terms of the classification of SEMG signals. PMID:25431766

  17. Relativistically parametrized extended Hueckel calculations. 11. Energy bands for elemental tellurium and polonium

    SciTech Connect

    Lohr, L.L.

    1987-06-17

    An extension of the REX relativistically parametrized extended Hueckel LCAO molecular orbital method to periodic solids is outlined. The method provides a simple and systematic approach to the description of the spin-orbit splitting of energy bands. The method is illustrated with results for the main-group elements tellurium and polonium, with trigonal-helical and simple-cubic structures, respectively. The helical structure of tellurium is described as a distortion of a simple-cubic structure, with the distortion being quenched in the case of polonium by its very large spin-orbit coupling. 36 references, 10 figures, 1 table.

  18. Theoretical Modeling of Low Energy Electronic Absorption Bands in Reduced Cobaloximes

    PubMed Central

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2015-01-01

    The reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task. PMID:25113847

  19. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes.

    PubMed

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L; Gray, Harry B; Fujita, Etsuko; Muckerman, James T; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M; Field, Martin J

    2014-10-06

    The reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we analyze the low-energy electronic absorption bands of two cobaloxime systems experimentally and use a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  20. Alternative structure of TiO2 with higher energy valence band edge

    NASA Astrophysics Data System (ADS)

    Coh, Sinisa; Yu, Peter Y.; Aoki, Yuta; Saito, Susumu; Louie, Steven G.; Cohen, Marvin L.

    2017-02-01

    We propose an alternative structure of TiO2 anatase that has a higher energy oxygen p -like valence band maximum than pristine TiO2 anatase and thus has a much better alignment with the water splitting levels. This alternative structure is unique when considering a large subspace of possible structural distortions of TiO2 anatase. We propose two routes towards this state and argue that one of them might have been realized in the recently discovered so-called black TiO2.

  1. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    SciTech Connect

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  2. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    DOE PAGES

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; ...

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  3. Relative spins and excitation energies of superdeformed bands in {sup 190}Hg: Further evidence for octupole vibration

    SciTech Connect

    Crowell, B.; Carpenter, M.; Janssens, R.; Blumenthal, D.; Timar, J.; Wilson, A.; Sharpey-Schafer, J. |; Nakatsukasa, T.; Ahmad, I.; Astier, A.; Azaiez, F.; du Croux, L.; Gall, B.; Hannachi, F.; Khoo, T.; Korichi, A.; Lauritsen, T.; Lopez-Martens, A.

    1995-04-01

    An experiment using the Eurogam phase II {gamma}-ray spectrometer confirms the existence of an excited superdeformed (SD) band in {sup 190}Hg and its very unusual decay into the lowest SD band over 3--4 transitions. The energies of the transitions linking the two SD bands have been firmly established, and their angular distributions are consistent with a dipole character. Comparisons with calculations using random-phase approximation indicate that the excited SD band can be interpreted as an octupole-vibrational structure.

  4. Energy band structure tailoring of vertically aligned InAs/GaAsSb quantum dot structure for intermediate-band solar cell application by thermal annealing process.

    PubMed

    Liu, Wei-Sheng; Chu, Ting-Fu; Huang, Tien-Hao

    2014-12-15

    This study presents an band-alignment tailoring of a vertically aligned InAs/GaAs(Sb) quantum dot (QD) structure and the extension of the carrier lifetime therein by rapid thermal annealing (RTA). Arrhenius analysis indicates a larger activation energy and thermal stability that results from the suppression of In-Ga intermixing and preservation of the QD heterostructure in an annealed vertically aligned InAs/GaAsSb QD structure. Power-dependent and time-resolved photoluminescence were utilized to demonstrate the extended carrier lifetime from 4.7 to 9.4 ns and elucidate the mechanisms of the antimony aggregation resulting in a band-alignment tailoring from straddling to staggered gap after the RTA process. The significant extension in the carrier lifetime of the columnar InAs/GaAsSb dot structure make the great potential in improving QD intermediate-band solar cell application.

  5. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol....

  6. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol....

  7. High-energy, in-band pumped erbium doped fiber amplifiers.

    PubMed

    Lim, Ee-Leong; Shaif-ul Alam; Richardson, David J

    2012-08-13

    We have demonstrated and compared high-energy, in-band pumped erbium doped fiber amplifiers operating at 1562.5 nm under both a core pumping scheme (CRS) and a cladding pumping scheme (CLS). The CRS/CLS sources generated smooth, single-peak pulses with maximum pulse energies of ~1.53/1.50 mJ, and corresponding pulse widths of ~176/182 ns respectively, with an M2 of ~1.6 in both cases. However, the conversion efficiency for the CLS was >1.5 times higher than the equivalent CRS variant operating at the same pulse energy due to the lower pump intensity in the CLS that mitigates the detrimental effects of ion concentration quenching. With a longer fiber length in a CLS implementation a pulse energy of ~2.6 mJ is demonstrated with a corresponding M2 of ~4.2. Using numerical simulations we explain that the saturation of pulse energy observed in our experiments is due to saturation of the pump absorption.

  8. Band structure engineering for solar energy applications: Zinc oxide(1-x) selenium(x) films and devices

    NASA Astrophysics Data System (ADS)

    Mayer, Marie Annette

    New technologies motivate the development of new semiconducting materials, for which structural, electrical and chemical properties are not well understood. In addition to new materials systems, there are huge opportunities for new applications, especially in solar energy conversion. In this dissertation I explore the role of band structure engineering of semiconducting oxides for solar energy. Due to the abundance and electrochemical stability of oxides, the appropriate modification could make them appealing for applications in both photovoltaics and photoelectrochemical hydrogen production. This dissertation describes the design, synthesis and evaluation of the alloy ZnO1-xSe x for these purposes. I review several methods of band structure engineering including strain, quantum confinement and alloying. A detailed description of the band anticrossing (BAC) model for highly mismatched alloys is provided, including the derivation of the BAC model as well as recent work and potential applications. Thin film ZnOxSe1-x samples are grown by pulsed laser deposition (PLD). I describe in detail the effect of growth conditions (temperature, pressure and laser fluence) on the chemistry, structure and optoelectronic properties of ZnOxSe1-x. The films are grown using different combinations of PLD conditions and characterized with a variety of techniques. Phase pure films with low roughness and high crystallinity were obtained at temperatures below 450¢ªC, pressures less than 10-4 Torr and laser fluences on the order of 1.5 J/cm 2. Electrical conduction was still observed despite heavy concentrations of grain boundaries. The band structure of ZnO1-xSex is then examined in detail. The bulk electron affinity of a ZnO thin film was measured to be 4.5 eV by pinning the Fermi level with native defects. This is explained in the framework of the amphoteric defect model. A shift in the ZnO1-xSe x valence band edge with x is observed using synchrotron x-ray absorption and emission

  9. Harvesting Broad Frequency Band Blue Energy by a Triboelectric-Electromagnetic Hybrid Nanogenerator.

    PubMed

    Wen, Zhen; Guo, Hengyu; Zi, Yunlong; Yeh, Min-Hsin; Wang, Xin; Deng, Jianan; Wang, Jie; Li, Shengming; Hu, Chenguo; Zhu, Liping; Wang, Zhong Lin

    2016-07-26

    Ocean wave associated energy is huge, but it has little use toward world energy. Although such blue energy is capable of meeting all of our energy needs, there is no effective way to harvest it due to its low frequency and irregular amplitude, which may restrict the application of traditional power generators. In this work, we report a hybrid nanogenerator that consists of a spiral-interdigitated-electrode triboelectric nanogenerator (S-TENG) and a wrap-around electromagnetic generator (W-EMG) for harvesting ocean energy. In this design, the S-TENG can be fully isolated from the external environment through packaging and indirectly driven by the noncontact attractive forces between pairs of magnets, and W-EMG can be easily hybridized. Notably, the hybrid nanogenerator could generate electricity under either rotation mode or fluctuation mode to collect energy in ocean tide, current, and wave energy due to the unique structural design. In addition, the characteristics and advantages of outputs indicate that the S-TENG is irreplaceable for harvesting low rotation speeds (<100 rpm) or motion frequencies (<2 Hz) energy, which fits the frequency range for most of the water wave based blue energy, while W-EMG is able to produce larger output at high frequencies (>10 Hz). The complementary output can be maximized and hybridized for harvesting energy in a broad frequency range. Finally, a single hybrid nanogenerator unit was demonstrated to harvest blue energy as a practical power source to drive several LEDs under different simulated water wave conditions. We also proposed a blue energy harvesting system floating on the ocean surface that could simultaneously harvest wind, solar, and wave energy. The proposed hybrid nanogenerator renders an effective and sustainable progress in practical applications of the hybrid nanogenerator toward harvesting water wave energy offered by nature.

  10. Band offset formation at semiconductor heterojunctions through density-based minimization of interface energy

    NASA Astrophysics Data System (ADS)

    Tung, Raymond T.; Kronik, Leeor

    2016-08-01

    It is well known that the magnitude of band offset (BO) at any semiconductor heterojunction is directly derivable from the distribution of charge at that interface and that the latter is decided by a minimization of total energy. However, the fact that BO formation is governed by energy minimization has not been explicitly used in theoretical BO models, likely because the equilibrium charge densities at heterojunction interfaces appear difficult to predict, except via explicit calculation. In this paper, electron densities at a large number of (100), (110), and (111) oriented heterojunctions between lattice-matched, isovalent semiconductors with the zinc blende (ZB) structure have been calculated by first-principles methods and analyzed in detail for possible common characteristics among energy-minimized densities. Remarkably, the heterojunction electron density was found to largely depend only on the immediate, local atomic arrangement. In fact, it is so much so that a juxtaposition of local electron-densities generated in oligo-cells (LEGOs) accurately reproduced the charge densities that minimize the energy for the heterojunctions. Furthermore, the charge distribution for each bulk semiconductor was found to display a striking separability of its electrostatic effect into two neutral parts, associated with the cation and the anion, which are approximately transferrable among semiconductors. These discoveries form the basis of a neutral polyhedra theory (NPT) that approximately predicts the equilibrium charge density and BO of relaxed heterojunctions from the energy minimization requirement. Well-known experimentally observed characteristics of heterojunctions, such as the insensitivity of BO to heterojunction orientation and the identity of interface bonds, the transitivity rule, etc., are all in good agreement with the NPT. Therefore, energy minimization, which essentially decides the electronic properties of all other solid and molecular systems, also governs

  11. Esaki Diodes in van der Waals Heterojunctions with Broken-Gap Energy Band Alignment.

    PubMed

    Yan, Rusen; Fathipour, Sara; Han, Yimo; Song, Bo; Xiao, Shudong; Li, Mingda; Ma, Nan; Protasenko, Vladimir; Muller, David A; Jena, Debdeep; Xing, Huili Grace

    2015-09-09

    van der Waals (vdW) heterojunctions composed of two-dimensional (2D) layered materials are emerging as a solid-state materials family that exhibits novel physics phenomena that can power a range of electronic and photonic applications. Here, we present the first demonstration of an important building block in vdW solids: room temperature Esaki tunnel diodes. The Esaki diodes were realized in vdW heterostructures made of black phosphorus (BP) and tin diselenide (SnSe2), two layered semiconductors that possess a broken-gap energy band offset. The presence of a thin insulating barrier between BP and SnSe2 enabled the observation of a prominent negative differential resistance (NDR) region in the forward-bias current-voltage characteristics, with a peak to valley ratio of 1.8 at 300 K and 2.8 at 80 K. A weak temperature dependence of the NDR indicates electron tunneling being the dominant transport mechanism, and a theoretical model shows excellent agreement with the experimental results. Furthermore, the broken-gap band alignment is confirmed by the junction photoresponse, and the phosphorus double planes in a single layer of BP are resolved in transmission electron microscopy (TEM) for the first time. Our results represent a significant advance in the fundamental understanding of vdW heterojunctions and broaden the potential applications of 2D layered materials.

  12. Energy spectra of 2D gravity and capillary waves with narrow frequency band excitation

    NASA Astrophysics Data System (ADS)

    Kartashova, E.

    2012-02-01

    In this letter we present a new method, called increment chain equation method (ICEM), for computing a cascade of distinct modes in a two-dimensional weakly nonlinear wave system generated by narrow frequency band excitation. The ICEM is a means for computing the quantized energy spectrum as an explicit function of frequency ω0 and stationary amplitude A0 of excitation. The physical mechanism behind the generation of the quantized cascade is modulation instability. The ICEM can be used in numerous 2D weakly nonlinear wave systems with narrow frequency band excitation appearing in hydrodynamics, nonlinear optics, electrodynamics, convection theory etc. In this letter the ICEM is demonstrated with examples of gravity and capillary waves with dispersion functions ω(k)~k1/2 and ω(k)~k3/2, respectively, and for two different levels of nonlinearity ɛ=A0k0: small (ɛ~0.1 to 0.25) and moderate (ɛ~0.25 to 0.4).

  13. Triple-band polarization-insensitive and wide-angle metamaterial array for electromagnetic energy harvesting

    NASA Astrophysics Data System (ADS)

    Zhong, Hui-Teng; Yang, Xue-Xia; Tan, Chong; Yu, Kai

    2016-12-01

    This work demonstrated a metamaterial array with polarization-insensitive and wide-angle operating in triple-band (GSM 1800, WiMAX, WLAN). The cell of the array consists of four same Split-Ring Resonators arranged in rotating central symmetry. The structure and size of the metamaterial cell were analyzed and optimized by using the microwave simulation software of CST. Meantime, we studied the absorption efficiency and harvesting efficiency under the normal and oblique incidences, energy distribution on the cell and the surface current paths. The simulation results show that the harvesting efficiency is 30%, 90%, and 74% at 1.75 GHz, 3.8 GHz, and 5.4 GHz, respectively, on the conditions of random polarization and the normal incidence. When the oblique incidence changes from 0° to 45°, this meta-harvester can also maintain effective harvesting efficiencies in triple-band. A 7 × 7 array has been fabricated and measured, and a good agreement with the simulated results was obtained.

  14. Low energy emission bands in a small molecular fluorene derivative for organic light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Lou, S. L.; Yu, H. S.; Ma, W. M.; Jiang, Y.; Zhang, Q.

    2008-11-01

    6,6'-(9H-fluoren-9,9-diyl)bis(2,3-bis(9,9-dihexyl-9H-fluoren-2-yl)quinoxaline) (BFLBBFLYQ) was a novel small molecular fluorene material with fluorescence maxima at 450 nm in spin cast films. Compared to spin cast films, BFLBBFLYQ vacuum evaporated deposition films exhibited different photo-physical properties. The low energy emission bands from 530 to 570 nm were observed from the electroluminescence (EL) and photoluminescence (PL) spectra of BFLBBFLYQ films evaporated deposition in ultrahigh vacuum circumstance, and the origin of these emission features were investigated and discussed. Also, the emissive properties of BFLBBFLYQ spin cast films upon thermal annealing and under UV irradiation in air were characterized for the effect of thermal oxidization and photo-oxidization.

  15. Stability in bcc transition metals: Madelung and band-energy effects due to alloying.

    PubMed

    Landa, A; Söderlind, P; Ruban, A V; Peil, O E; Vitos, L

    2009-12-04

    The phase stability of group VB (V, Nb, and Ta) transition metals is explored by first-principles electronic-structure calculations. Alloying with a small amount of a neighboring metal can either stabilize or destabilize the body-centered-cubic phase relative to low-symmetry rhombohedral phases. We show that band-structure effects determine phase stability when a particular group VB metal is alloyed with its nearest neighbors within the same d-transition series. In this case, the neighbor with less (to the left) and more (to the right) d electrons destabilize and stabilize bcc, respectively. When alloying with neighbors of higher d-transition series, electrostatic Madelung energy dominates and stabilizes the body-centered-cubic phase. This surprising prediction invalidates current understanding of simple d-electron bonding that dictates high-symmetry cubic and hexagonal phases.

  16. Enhancement in open circuit voltage through a cascade-type energy band structure

    NASA Astrophysics Data System (ADS)

    Sista, Srinivas; Yao, Yan; Yang, Yang; Tang, Ming Lee; Bao, Zhenan

    2007-11-01

    In this paper, we report a method to increase the open-circuit voltage (VOC) of an organic solar cell by inserting an interfacial layer between the donor and acceptor layers to form a cascade-type energy band structure. We demonstrate its feasibility using a recently reported asymmetric pentacene derivative, tetraceno[2,3-b]thiophene (TT) as a donor material, C60 as an acceptor material, and copper phthalocyanine (CuPc) as the sandwich layer. The VOC was increased from 0.3V for the device with no CuPc sandwich layer to 0.56V for 13nm thick CuPc layer. The power conversion efficiency (PCE) of the device with 13nm CuPc layer was 1.53% and the fill factor (FF) was 0.64, in comparison to TT /C60 device which had a PCE of 0.78% and a FF of 0.52.

  17. Band Gap, Molecular Energy and Electrochromic Characterization of Electrosynthesized Hydroxymethyl 3,4-Ethylenedioxythiophene

    NASA Astrophysics Data System (ADS)

    Co, Thien Thanh; Tran, Tri Quoc; Le, Hai Viet; Ho, Vu Anh Pham; Tran, Lam Dai

    2016-12-01

    Hydroxymethyl functionalized 3,4-ethylenedioxythiophene (EDOT-MeOH) monomer was synthesized according to a previously reported procedure. Electropolymerization of EDOT-MeOH was performed in acetonitrile (ACN) containing tetrabutylammonium perchlorate (Bu4NClO4) as the supporting electrolyte by chronoamperometry on platinum (Pt) and fluorine-doped tin oxide-coated glass substrates. The resulting conjugated polymer (PEDOT-MeOH) was characterized by cyclic voltammetry and UV-Vis spectrophotometer techniques. The polymer showed a deep HOMO energy level of -5.31 eV with a very low band gap of 1.54 eV. Spectroelectrochemical study revealed that the PEDOT-MeOH has interesting electrochromic properties.

  18. Band Gap, Molecular Energy and Electrochromic Characterization of Electrosynthesized Hydroxymethyl 3,4-Ethylenedioxythiophene

    NASA Astrophysics Data System (ADS)

    Co, Thien Thanh; Tran, Tri Quoc; Le, Hai Viet; Ho, Vu Anh Pham; Tran, Lam Dai

    2017-03-01

    Hydroxymethyl functionalized 3,4-ethylenedioxythiophene (EDOT-MeOH) monomer was synthesized according to a previously reported procedure. Electropolymerization of EDOT-MeOH was performed in acetonitrile (ACN) containing tetrabutylammonium perchlorate (Bu4NClO4) as the supporting electrolyte by chronoamperometry on platinum (Pt) and fluorine-doped tin oxide-coated glass substrates. The resulting conjugated polymer (PEDOT-MeOH) was characterized by cyclic voltammetry and UV-Vis spectrophotometer techniques. The polymer showed a deep HOMO energy level of -5.31 eV with a very low band gap of 1.54 eV. Spectroelectrochemical study revealed that the PEDOT-MeOH has interesting electrochromic properties.

  19. Band Gap Engineering in a 2D Material for Solar-to-Chemical Energy Conversion.

    PubMed

    Hu, Jun; Guo, Zhenkun; Mcwilliams, Peter E; Darges, John E; Druffel, Daniel L; Moran, Andrew M; Warren, Scott C

    2016-01-13

    The electronic structure of 2D semiconductors depends on their thickness, providing new opportunities to engineer semiconductors for energy conversion, electronics, and catalysis. Here we show how a 3D semiconductor, black phosphorus, becomes active for solar-to-chemical energy conversion when it is thinned to a 2D material. The increase in its band gap, from 0.3 eV (3D) to 2.1 eV (2D monolayer), is accompanied by a 40-fold enhancement in the formation of chemical products. Despite this enhancement, smaller flakes also have shorter excited state lifetimes. We deduce a mechanism in which recombination occurs at flake edges, while the "van der Waals" surface of black phosphorus bonds to chemical intermediates and facilitates electron transfer. The unique properties of black phosphorus highlight its potential as a customizable material for solar energy conversion and catalysis, while also allowing us to identify design rules for 2D photocatalysts that will enable further improvements in these materials.

  20. Linear Scaling of the Exciton Binding Energy versus the Band Gap of Two-Dimensional Materials

    NASA Astrophysics Data System (ADS)

    Choi, Jin-Ho; Cui, Ping; Lan, Haiping; Zhang, Zhenyu

    2015-08-01

    The exciton is one of the most crucial physical entities in the performance of optoelectronic and photonic devices, and widely varying exciton binding energies have been reported in different classes of materials. Using first-principles calculations within the G W -Bethe-Salpeter equation approach, here we investigate the excitonic properties of two recently discovered layered materials: phosphorene and graphene fluoride. We first confirm large exciton binding energies of, respectively, 0.85 and 2.03 eV in these systems. Next, by comparing these systems with several other representative two-dimensional materials, we discover a striking linear relationship between the exciton binding energy and the band gap and interpret the existence of the linear scaling law within a simple hydrogenic picture. The broad applicability of this novel scaling law is further demonstrated by using strained graphene fluoride. These findings are expected to stimulate related studies in higher and lower dimensions, potentially resulting in a deeper understanding of excitonic effects in materials of all dimensionalities.

  1. Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme.

    PubMed

    Farag, Marwa H; Ruiz-López, Manuel F; Bastida, Adolfo; Monard, Gérald; Ingrosso, Francesca

    2015-07-23

    The sensitivity of some infrared bands to the local environment can be exploited to shed light on the structure and the dynamics of biological systems. In particular, the amide I band, which is specifically related to vibrations within the peptide bonds, can give information on the ternary structure of proteins, and can be used as a probe of energy transfer. In this work, we propose a model to quantitatively interpret the frequency shift on the amide I band of a model peptide induced by the formation of hydrogen bonds in the first solvation shell. This method allows us to analyze to what extent the electrostatic interaction, electronic polarization and charge transfer affect the position of the amide I band. The impact of the anharmoniticy of the pontential energy surface on the hydration induced shift is elucidated as well.

  2. Energy selection is not correlated in the Qx and Qy bands of a Mg-porphyrin embedded in a protein.

    PubMed Central

    Suisalu, A; Mauring, K; Kikas, J; Herenyi, L; Fidy, J

    2001-01-01

    The Qx-Qy splitting observed in the fluorescence excitation spectra of Mg-mesoporphyrin-IX substituted horseradish peroxidase (MgMP-HRP) and of its complex with naphthohydroxamic acid (NHA) was studied by spectral hole burning techniques. The width of a hole directly burnt in the Qy band and that of a satellite hole indirectly produced in Qy as a result of hole burning in Qx was compared. We also studied the dependence of the satellite hole in the Qy band on the burning frequency used in the Qx band. Both the directly and indirectly burnt holes were very broad in the (higher energy) Qy band. The width of the satellite hole in the Qy band was equal to the entire width of the inhomogeneously broadened band, independently from the position of hole burning in Qx. This is indicative of a clear lack of correlation between the electronic transition energies of the Qx and Qy bands. A photoproduct was produced by laser irradiation of the MgMP-HRP/NHA complex and was identified as a species with lowered Q-splitting. Conversion of the photoproduct could be achieved by thermal activation measured in temperature-cycling experiments, with a characteristic temperature of 25 K. We attribute the phototransformation to a conformational change of MgMP. PMID:11159420

  3. Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

    NASA Astrophysics Data System (ADS)

    Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

    2016-02-01

    The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

  4. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    SciTech Connect

    Heo, Sung; Cho, Eunseog; Lee, Hyung-Ik; Park, Gyeong Su; Kang, Hee Jae; Nagatomi, T.; Choi, Pyungho; Choi, Byoung-Deog

    2015-07-15

    The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS) and high-energy resolution REELS (HR-REELS). HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS) energy was located at approximately 4.2 eV above the valence band maximum (VBM) and the surface band gap width (E{sub g}{sup S}) was approximately 6.3 eV. The bulk F center (F{sub B}) energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were F{sub S} and F{sub B}, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ) for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  5. Isolated energy level in the band gap of Yb2Si2O7 identified by electron energy-loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogawa, Takafumi; Kobayashi, Shunsuke; Wada, Masashi; Fisher, Craig A. J.; Kuwabara, Akihide; Kato, Takeharu; Yoshiya, Masato; Kitaoka, Satoshi; Moriwake, Hiroki

    2016-05-01

    We report the detection of an isolated energy level in the band gap of crystalline Yb2Si2O7 in the low-energy-loss region of its electron energy-loss (EEL) spectrum, obtained using a monochromated scanning transmission electron microscope. The experimental results are corroborated by first-principles calculations of the theoretical EEL spectrum. The calculations reveal that unoccupied Yb 4 f orbitals constitute an isolated energy level about 1 eV below the conduction band minimum (CBM), resulting in a terrace about 1 eV wide at the band edge of the EEL spectrum. In the case of Yb2O3 , no band edge terrace is present because the unoccupied f level lies just below the CBM. We also examined optical absorption properties of Yb2Si2O7 using UV-vis diffuse reflectance spectroscopy, which shows that the isolated energy level could not be detected in the band edge of the obtained absorbance spectrum. These findings demonstrate the utility of low-loss EEL spectroscopy with high energy resolution for probing semilocalized electronic features.

  6. Energy Bands and Thermoelectricity of Filled Skutterudite EuRu4As_{12}

    NASA Astrophysics Data System (ADS)

    Shankar, A.; Rai, D. P.; Sandeep; Khenata, R.; Thapa, R. K.; Mandal, P. K.

    2016-11-01

    Density functional theory-based calculations of the elastic and electronic properties with magnetic moments of the filled skutterudite EuRu4As_{12} have been performed in its ferromagnetic ground state. The full-potential linearized augmented plane wave (FP-LAPW) method has been used for the study presented here. The numerical values of the elastic parameters are estimated within the framework of the Voigt-Reuss-Hill approximations. The energy band structure calculation performed near the Fermi energy level shows the metallic nature of the material with a high value of Seebeck coefficient ( S). The presence of an exchange splitting of Eu-4 f states suggests their appreciable contribution toward the magnetic behavior. The analysis of the thermal transport properties confirms the result obtained from the electronic structure calculation with Seebeck coefficient of 118 μ{V/K} and the figure of merit ( ZT) value of 0.51, at room temperature. The estimated values of S and ZT indicate the possibility of the thermoelectric applications of the sample material.

  7. The nature of the low energy band of the Fenna-Matthews-Olson complex: vibronic signatures.

    PubMed

    Caycedo-Soler, Felipe; Chin, Alex W; Almeida, Javier; Huelga, Susana F; Plenio, Martin B

    2012-04-21

    Based entirely upon actual experimental observations on electron-phonon coupling, we develop a theoretical framework to show that the lowest energy band of the Fenna-Matthews-Olson complex exhibits observable features due to the quantum nature of the vibrational manifolds present in its chromophores. The study of linear spectra provides us with the basis to understand the dynamical features arising from the vibronic structure in nonlinear spectra in a progressive fashion, starting from a microscopic model to finally performing an inhomogeneous average. We show that the discreteness of the vibronic structure can be witnessed by probing the diagonal peaks of the nonlinear spectra by means of a relative phase shift in the waiting time resolved signal. Moreover, we demonstrate that the photon-echo and non-rephasing paths are sensitive to different harmonics in the vibrational manifold when static disorder is taken into account. Supported by analytical and numerical calculations, we show that non-diagonal resonances in the 2D spectra in the waiting time, further capture the discreteness of vibrations through a modulation of the amplitude without any effect in the signal intrinsic frequency. This fact generates a signal that is highly sensitive to correlations in the static disorder of the excitonic energy albeit protected against dephasing due to inhomogeneities of the vibrational ensemble.

  8. Immobilization of antimony in waste-to-energy bottom ash by addition of calcium and iron containing additives.

    PubMed

    Van Caneghem, Jo; Verbinnen, Bram; Cornelis, Geert; de Wijs, Joost; Mulder, Rob; Billen, Pieter; Vandecasteele, Carlo

    2016-08-01

    The leaching of Sb from waste-to-energy (WtE) bottom ash (BA) often exceeds the Dutch limit value of 0.32mgkg(-1) for recycling of BA in open construction applications. From the immobilization mechanisms described in the literature, it could be concluded that both Ca and Fe play an important role in the immobilization of Sb in WtE BA. Therefore, Ca and Fe containing compounds were added to the samples of the sand fraction of WtE BA, which in contrast to the granulate fraction is not recyclable to date, and the effect on the Sb leaching was studied by means of batch leaching tests. Results showed that addition of 0.5 and 2.5% CaO, 5% CaCl2, 2.5% Fe2(SO4)3 and 1% FeCl3 decreased the Sb leaching from 0.62±0.02mgkgDM(-1) to 0.20±0.02, 0.083±0.044, 0.25±0.01, 0.27±0.002 and 0.29±0.02mgkgDM(-1), respectively. Due to the increase in pH from 11.41 to 12.53 when 2.5% CaO was added, Pb and Zn leaching increased and exceeded the respective leaching limits. Addition of 5% CaCO3 had almost no effect on the Sb leaching, as evidenced by the resulting 0.53mgkgDM(-1) leaching concentration. This paper shows a complementary enhancement of the effect of Ca and Fe, by comparing the aforementioned Sb leaching results with those of WtE BA with combined addition of 2.5% CaO or 5% CaCl2 with 2.5% Fe2(SO4)3 or 1% FeCl3. These lab scale results suggest that formation of romeites with a high Ca content and formation of iron antimonate (tripuhyite) with a very low solubility are the main immobilization mechanisms of Sb in WtE BA. Besides the pure compounds and their mixtures, also addition of 10% of two Ca and Fe containing residues of the steel industry, hereafter referred to as R1 and R2, was effective in decreasing the Sb leaching from WtE BA below the Dutch limit value for reuse in open construction applications. To evaluate the long term effect of the additives, pilot plots of WtE BA with 10% of R1 and 5% and 10% of R2 were built and samples were submitted to leaching tests at

  9. Graphene oxide quantum dot-sensitized porous titanium dioxide microsphere: Visible-light-driven photocatalyst based on energy band engineering.

    PubMed

    Zhang, Yu; Qi, Fuyuan; Li, Ying; Zhou, Xin; Sun, Hongfeng; Zhang, Wei; Liu, Daliang; Song, Xi-Ming

    2017-03-11

    We report a novel graphene oxide quantum dot (GOQD)-sensitized porous TiO2 microsphere for efficient photoelectric conversion. Electro-chemical analysis along with the Mott-Schottky equation reveals conductivity type and energy band structure of the two semiconductors. Based on their energy band structures, visible light-induced electrons can transfer from the p-type GOQD to the n-type TiO2. Enhanced photocurrent and photocatalytic activity in visible light further confirm the enhanced separation of electrons and holes in the nanocomposite.

  10. Photodissociation of ozone in the Hartley band: Potential energy surfaces, nonadiabatic couplings, and singlet/triplet branching ratio

    NASA Astrophysics Data System (ADS)

    Schinke, R.; McBane, G. C.

    2010-01-01

    The lowest five A1' states of ozone, involved in the photodissociation with UV light, are analyzed on the basis of multireference configuration interaction electronic structure calculations with emphasis on the various avoided crossings in different regions of coordinate space. Global diabatic potential energy surfaces are constructed for the lowest four states termed X, A, B, and R. In addition, the off-diagonal potentials that couple the initially excited state B with states R and A are constructed to reflect results from additional electronic structure calculations, including the calculation of nonadiabatic coupling matrix elements. The A/X and A/R couplings are also considered, although in a less ambitious manner. The photodissociation dynamics are studied by means of trajectory surface hopping (TSH) calculations with the branching ratio between the singlet, O(D1)+O2(Δ1g), and triplet, O(P3)+O2(Σ3g-), channels being the main focus. The semiclassical branching ratio agrees well with quantum mechanical results except for wavelengths close to the threshold of the singlet channel. The calculated O(D1) quantum yield is approximately 0.90-0.95 across the main part of the Hartley band, in good agreement with experimental data. TSH calculations including all four states show that transitions B→A are relatively unimportant and subsequent transitions A→X/R to the triplet channel are negligible.

  11. Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.

    PubMed

    Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang

    2016-09-07

    A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.

  12. Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation

    NASA Astrophysics Data System (ADS)

    Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang

    2016-09-01

    A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.

  13. Precise Determination of the Direct-Indirect Band Gap Energy Crossover In AlxGa1-xAs

    NASA Astrophysics Data System (ADS)

    Fluegel, Brian; Beaton, Daniel; Alberi, Kirstin; Mascarenhas, Angelo

    2014-03-01

    AlxGa1-xAs is a technologically important semiconductor material system for optoelectronic applications due to its type I band alignment with GaAs under nearly lattice-matched conditions. Heterostructure design often relies on exactly controlling the relative positions of the Γ and X conduction band edges, yet despite over three decades of research on this alloy, the precise energy and composition of the direct-indirect band gap crossover is still not well resolved. We report the results of our most recent investigation of AlxGa1-xAs (0.28 < x<0.42) epitaxial films, in which the observation of concurrent photoluminescence (PL) emission peaks from the direct and indirect band gaps combined with time-resolved PL information yields a precise determination of the direct-indirect band gap crossover energy and composition. This work was supported by the DOE Office of Science, Basic Energy Sciences under contract DE-AC36-08GO28308. Acknowledgement: the samples were provided by John Reno from Sandia National Laboratory.

  14. Band reject filtration of the excitation spectrum at energy dispersive X-ray spectroscopy of weak signals

    NASA Astrophysics Data System (ADS)

    Tur'yanskii, A. G.; Gizha, S. S.; Senkov, V. M.; Pirshin, I. V.; Stanishevskii, Ya. M.

    2016-09-01

    The possibility of the efficient band reject filtration of the continuous X-ray excitation spectrum in the energy range E ≥ 8 keV is demonstrated. This makes it possible to strongly increase the sensitivity of energy dispersive X-ray spectroscopy at detecting of weak fluorescence lines. Spectral rejection is implemented by transmitting a primary beam through highly oriented pyrolytic graphite with given structural parameters. Diffraction extinction in pyrolytic graphite ensures the possibility of reducing the intensity by more than 20 dB and rejecting the spectral band with a width of 1 keV. The reduction of statistical fluctuations of the background of elastically scattered radiation is achieved when the bottom of the formed spectral valley is adjusted to the analyzed fluorescence line. The proposed scheme of band reject filtration also allows the suppression of intense characteristic lines in the primary and scattered radiation spectra.

  15. Non-pairwise additivity of the leading-order dispersion energy.

    PubMed

    Hollett, Joshua W

    2015-02-28

    The leading-order (i.e., dipole-dipole) dispersion energy is calculated for one-dimensional (1D) and two-dimensional (2D) infinite lattices, and an infinite 1D array of infinitely long lines, of doubly occupied locally harmonic wells. The dispersion energy is decomposed into pairwise and non-pairwise additive components. By varying the force constant and separation of the wells, the non-pairwise additive contribution to the dispersion energy is shown to depend on the overlap of density between neighboring wells. As well separation is increased, the non-pairwise additivity of the dispersion energy decays. The different rates of decay for 1D and 2D lattices of wells is explained in terms of a Jacobian effect that influences the number of nearest neighbors. For an array of infinitely long lines of wells spaced 5 bohrs apart, and an inter-well spacing of 3 bohrs within a line, the non-pairwise additive component of the leading-order dispersion energy is -0.11 kJ mol(-1) well(-1), which is 7% of the total. The polarizability of the wells and the density overlap between them are small in comparison to that of the atomic densities that arise from the molecular density partitioning used in post-density-functional theory (DFT) damped dispersion corrections, or DFT-D methods. Therefore, the nonadditivity of the leading-order dispersion observed here is a conservative estimate of that in molecular clusters.

  16. Synthesis, characterization and band gap energy of poly(ɛ-caprolactone)/Sr-MSA nano-composite

    NASA Astrophysics Data System (ADS)

    Kannammal, L.; Palanikumar, S.; Meenarathi, B.; Yelilarasi, A.; Anbarasan, R.

    2014-04-01

    A mercaptosuccinic acid (MSA) decorated Sr nano-particle (NP) was prepared and characterized by using various analytical techniques and was used as a chemical initiator for the ring opening polymerization (ROP) of ɛ-caprolactone (CL). The ROP of CL was carried out at various experimental conditions under N2 atmosphere with mild stirring. The initiating efficiency of MSA-decorated Sr NP was tested in terms of Fourier transform infrared-relative intensity, melting temperature (Tm), degradation temperature (Td) and molecular weight (Mw) of poly(ɛ-caprolactone) (PCL), differential scanning calorimetry, UV-visible spectroscopy, field emission scanning electron microscopy, thermogravimetric analysis and gel permeation chromatography analytical techniques. The nuclear magnetic resonance spectrum confirms the chemical structure of PCL. While increasing the [M/I] ratio, the Mw of PCL was linearly increased. The band gap energy of Sr was determined from the UV-visible spectrum. The reflectance study proves the hydrophobic nature of the Sr-hybrid and its nano-composite formation with PCL.

  17. Half-filled energy bands induced negative differential resistance in nitrogen-doped graphene.

    PubMed

    Li, Xiao-Fei; Lian, Ke-Yan; Qiu, Qi; Luo, Yi

    2015-03-07

    Nitrogen-doping brings novel properties and promising applications into graphene, but the underlying mechanism is still in debate. To determine the key factor in motivating the negative differential resistance (NDR) behaviour of nitrogen-doped graphene, the electronic structure and transport properties of an 11-dimer wide nitrogen-doped armchair graphene nanoribbon (N-AGNR) were systematically studied by first principles calculations. Both the effect of interaction between N-dopants and the effect of doping-sublattice on the NDR were examined for the first time. Taking into account the two effects, N-AGNR becomes metallic or semiconducting depending on the doping configuration, and its Fermi level varies in a large range. NDR was firmly verified not to be intrinsic for N-AGNRs. However, it is totally determined by whether nitrogen-doping induces half-filled energy bands (HFEBs) because it is HFEBs that cross the Fermi level and determine the transport properties of N-AGNR under low biases. With the bias increasing, the transmission spectrum near the Fermi level showed a flag shape, and therefore, the corresponding transport channel is totally suppressed at a certain bias, resulting in the NDR behaviour with a configuration-dependent peak-to-valley current ratio (PVCR) up to 10(4). Our findings give new insights into the microscopic mechanism of chemical doping induced NDR behaviour and will be useful in building NDR-based nanodevices in the future.

  18. Toxicity of metal oxide nanoparticles in Escherichia coli correlates with conduction band and hydration energies.

    PubMed

    Kaweeteerawat, Chitrada; Ivask, Angela; Liu, Rong; Zhang, Haiyuan; Chang, Chong Hyun; Low-Kam, Cecile; Fischer, Heidi; Ji, Zhaoxia; Pokhrel, Suman; Cohen, Yoram; Telesca, Donatello; Zink, Jeffrey; Mädler, Lutz; Holden, Patricia A; Nel, Andre; Godwin, Hilary

    2015-01-20

    Metal oxide nanoparticles (MOx NPs) are used for a host of applications, such as electronics, cosmetics, construction, and medicine, and as a result, the safety of these materials to humans and the environment is of considerable interest. A prior study of 24 MOx NPs in mammalian cells revealed that some of these materials show hazard potential. Here, we report the growth inhibitory effects of the same series of MOx NPs in the bacterium Escherichia coli and show that toxicity trends observed in E. coli parallel those seen previously in mammalian cells. Of the 24 materials studied, only ZnO, CuO, CoO, Mn2O3, Co3O4, Ni2O3, and Cr2O3 were found to exert significant growth inhibitory effects; these effects were found to relate to membrane damage and oxidative stress responses in minimal trophic media. A correlation of the toxicological data with physicochemical parameters of MOx NPs revealed that the probability of a MOx NP being toxic increases as the hydration enthalpy becomes less negative and as the conduction band energy approaches those of biological molecules. These observations are consistent with prior results observed in mammalian cells, revealing that mechanisms of toxicity of MOx NPs are consistent across two very different taxa. These results suggest that studying nanotoxicity in E. coli may help to predict toxicity patterns in higher organisms.

  19. Development of flexible, free-standing, thin films for additive manufacturing and localized energy generation

    SciTech Connect

    Clark, Billy; McCollum, Jena; Pantoya, Michelle L.; Heaps, Ronald J.; Daniels, Michael A.

    2015-08-01

    Film energetics are becoming increasingly popular because a variety of technologies are driving a need for localized energy generation in a stable, safe and flexible form. Aluminum (Al) and molybdenum trioxide (MoO₃) composites were mixed into a silicon binder and extruded using a blade casting technique to form flexible free-standing films ideal for localized energy generation. Since this material can be extruded onto a surface it is well suited to additive manufacturing applications. This study examines the influence of 0-35% by mass potassium perchlorate (KClO₄) additive on the combustion behavior of these energetic films. Without KClO₄ the film exhibits thermal instabilities that produce unsteady energy propagation upon reaction. All films were cast at a thickness of 1 mm with constant volume percent solids to ensure consistent rheological properties. The films were ignited and flame propagation was measured. The results show that as the mass percent KClO₄ increased, the flame speed increased and peaked at 0.43 cm/s and 30 wt% KClO₄. Thermochemical equilibrium simulations show that the heat of combustion increases with increasing KClO₄ concentration up to a maximum at 20 wt% when the heat of combustion plateaus, indicating that the increased chemical energy liberated by the additional KClO₄ promotes stable energy propagation. Differential scanning calorimeter and thermogravimetric analysis show that the silicone binder participates as a fuel and reacts with KClO₄ adding energy to the reaction and promoting propagation.

  20. Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

    PubMed

    Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

    2015-09-01

    Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

  1. Energy deposition by heavy ions: Additivity of kinetic and potential energy contributions in hillock formation on CaF2

    NASA Astrophysics Data System (ADS)

    Wang, Y. Y.; Grygiel, C.; Dufour, C.; Sun, J. R.; Wang, Z. G.; Zhao, Y. T.; Xiao, G. Q.; Cheng, R.; Zhou, X. M.; Ren, J. R.; Liu, S. D.; Lei, Y.; Sun, Y. B.; Ritter, R.; Gruber, E.; Cassimi, A.; Monnet, I.; Bouffard, S.; Aumayr, F.; Toulemonde, M.

    2014-07-01

    Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe22+ to Xe30+) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.

  2. Energy deposition by heavy ions: additivity of kinetic and potential energy contributions in hillock formation on CaF2.

    PubMed

    Wang, Y Y; Grygiel, C; Dufour, C; Sun, J R; Wang, Z G; Zhao, Y T; Xiao, G Q; Cheng, R; Zhou, X M; Ren, J R; Liu, S D; Lei, Y; Sun, Y B; Ritter, R; Gruber, E; Cassimi, A; Monnet, I; Bouffard, S; Aumayr, F; Toulemonde, M

    2014-07-18

    Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe(22+) to Xe(30+)) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.

  3. Drag Reduction by Laser-Plasma Energy Addition in Hypersonic Flow

    SciTech Connect

    Oliveira, A. C.; Minucci, M. A. S.; Toro, P. G. P.; Chanes, J. B. Jr; Myrabo, L. N.

    2008-04-28

    An experimental study was conducted to investigate the drag reduction by laser-plasma energy addition in a low density Mach 7 hypersonic flow. The experiments were conducted in a shock tunnel and the optical beam of a high power pulsed CO{sub 2} TEA laser operating with 7 J of energy and 30 MW peak power was focused to generate the plasma upstream of a hemispherical model installed in the tunnel test section. The non-intrusive schlieren optical technique was used to visualize the effects of the energy addition to hypersonic flow, from the plasma generation until the mitigation of the shock wave profile over the model surface. Aside the optical technique, a piezoelectric pressure transducer was used to measure the impact pressure at stagnation point of the hemispherical model and the pressure reduction could be observed.

  4. Activation energies for addition of O/3P/ to simple olefins.

    NASA Technical Reports Server (NTRS)

    Demore, W. B.

    1972-01-01

    Description of relative rate measurements for the addition of O(3P) to C2H4, C2F4, C3H6, and C4H8-1 in liquid argon at 87.5 K. The data strongly indicate that the activation energies for the addition of O(3P) to the double bonds of propylene and butene-1 are identical, probably to within 0.1 kcal/mole. It is very doubtful that differences in pre-exponential factors or other factors such as solvent effects, could invalidate this conclusion. A similar argument holds for the C2H4 and C2F4 reactions. Furthermore, the experiments suggest that the activation energy for addition of O(3P) to the double bond of butene-1 is about 0.1 kcal/mole.

  5. Determination of band gap energy (Eg) of Cu2ZnSnSe4 thin films: On the discrepancies of reported band gap values

    NASA Astrophysics Data System (ADS)

    Ahn, SeJin; Jung, Sunghun; Gwak, Jihye; Cho, Ara; Shin, Keeshik; Yoon, Kyunghoon; Park, Doyoung; Cheong, Hyeonsik; Yun, Jae Ho

    2010-07-01

    We demonstrate experimental data to elucidate the reason for the discrepancies of reported band gap energy (Eg) of Cu2ZnSnSe4 (CZTSe) thin films, i.e., 1.0 or 1.5 eV. Eg of the coevaporated CZTSe film synthesized at substrate temperature (Tsub) of 370 °C, which was apparently phase pure CZTSe confirmed by x-ray diffraction (XRD) and Raman spectroscopy, is found to be around 1 eV regardless of the measurement techniques. However, depth profile of the same sample reveals the formation of ZnSe at CZTSe/Mo interface. On the other hand, Eg of the coevaporated films increases with Tsub due to the ZnSe formation, from which we suggest that the existence of ZnSe, which is hardly distinguishable from CZTSe by XRD, is the possible reason for the overestimation of overall Eg.

  6. Non-pairwise additivity of the leading-order dispersion energy

    SciTech Connect

    Hollett, Joshua W.

    2015-02-28

    The leading-order (i.e., dipole-dipole) dispersion energy is calculated for one-dimensional (1D) and two-dimensional (2D) infinite lattices, and an infinite 1D array of infinitely long lines, of doubly occupied locally harmonic wells. The dispersion energy is decomposed into pairwise and non-pairwise additive components. By varying the force constant and separation of the wells, the non-pairwise additive contribution to the dispersion energy is shown to depend on the overlap of density between neighboring wells. As well separation is increased, the non-pairwise additivity of the dispersion energy decays. The different rates of decay for 1D and 2D lattices of wells is explained in terms of a Jacobian effect that influences the number of nearest neighbors. For an array of infinitely long lines of wells spaced 5 bohrs apart, and an inter-well spacing of 3 bohrs within a line, the non-pairwise additive component of the leading-order dispersion energy is −0.11 kJ mol{sup −1} well{sup −1}, which is 7% of the total. The polarizability of the wells and the density overlap between them are small in comparison to that of the atomic densities that arise from the molecular density partitioning used in post-density-functional theory (DFT) damped dispersion corrections, or DFT-D methods. Therefore, the nonadditivity of the leading-order dispersion observed here is a conservative estimate of that in molecular clusters.

  7. Development of flexible, free-standing, thin films for additive manufacturing and localized energy generation

    SciTech Connect

    Clark, Billy; McCollum, Jena; Pantoya, Michelle L.; Heaps, Ronald J.; Daniels, Michael A.

    2015-08-15

    Film energetics are becoming increasingly popular because a variety of technologies are driving a need for localized energy generation in a stable, safe and flexible form. Aluminum (Al) and molybdenum trioxide (MoO{sub 3}) composites were mixed into a silicon binder and extruded using a blade casting technique to form flexible free-standing films ideal for localized energy generation. Since this material can be extruded onto a surface it is well suited to additive manufacturing applications. This study examines the influence of 0-35% by mass potassium perchlorate (KClO{sub 4}) additive on the combustion behavior of these energetic films. Without KClO{sub 4} the film exhibits thermal instabilities that produce unsteady energy propagation upon reaction. All films were cast at a thickness of 1 mm with constant volume percent solids to ensure consistent rheological properties. The films were ignited and flame propagation was measured. The results show that as the mass percent KClO{sub 4} increased, the flame speed increased and peaked at 0.43 cm/s and 30 wt% KClO{sub 4}. Thermochemical equilibrium simulations show that the heat of combustion increases with increasing KClO{sub 4} concentration up to a maximum at 20 wt% when the heat of combustion plateaus, indicating that the increased chemical energy liberated by the additional KClO{sub 4} promotes stable energy propagation. Differential scanning calorimeter and thermogravimetric analysis show that the silicone binder participates as a fuel and reacts with KClO{sub 4} adding energy to the reaction and promoting propagation.

  8. Development of flexible, free-standing, thin films for additive manufacturing and localized energy generation

    DOE PAGES

    Clark, Billy; McCollum, Jena; Pantoya, Michelle L.; ...

    2015-08-01

    Film energetics are becoming increasingly popular because a variety of technologies are driving a need for localized energy generation in a stable, safe and flexible form. Aluminum (Al) and molybdenum trioxide (MoO₃) composites were mixed into a silicon binder and extruded using a blade casting technique to form flexible free-standing films ideal for localized energy generation. Since this material can be extruded onto a surface it is well suited to additive manufacturing applications. This study examines the influence of 0-35% by mass potassium perchlorate (KClO₄) additive on the combustion behavior of these energetic films. Without KClO₄ the film exhibits thermalmore » instabilities that produce unsteady energy propagation upon reaction. All films were cast at a thickness of 1 mm with constant volume percent solids to ensure consistent rheological properties. The films were ignited and flame propagation was measured. The results show that as the mass percent KClO₄ increased, the flame speed increased and peaked at 0.43 cm/s and 30 wt% KClO₄. Thermochemical equilibrium simulations show that the heat of combustion increases with increasing KClO₄ concentration up to a maximum at 20 wt% when the heat of combustion plateaus, indicating that the increased chemical energy liberated by the additional KClO₄ promotes stable energy propagation. Differential scanning calorimeter and thermogravimetric analysis show that the silicone binder participates as a fuel and reacts with KClO₄ adding energy to the reaction and promoting propagation.« less

  9. Development of flexible, free-standing, thin films for additive manufacturing and localized energy generation

    NASA Astrophysics Data System (ADS)

    Clark, Billy; McCollum, Jena; Pantoya, Michelle L.; Heaps, Ronald J.; Daniels, Michael A.

    2015-08-01

    Film energetics are becoming increasingly popular because a variety of technologies are driving a need for localized energy generation in a stable, safe and flexible form. Aluminum (Al) and molybdenum trioxide (MoO3) composites were mixed into a silicon binder and extruded using a blade casting technique to form flexible free-standing films ideal for localized energy generation. Since this material can be extruded onto a surface it is well suited to additive manufacturing applications. This study examines the influence of 0-35% by mass potassium perchlorate (KClO4) additive on the combustion behavior of these energetic films. Without KClO4 the film exhibits thermal instabilities that produce unsteady energy propagation upon reaction. All films were cast at a thickness of 1 mm with constant volume percent solids to ensure consistent rheological properties. The films were ignited and flame propagation was measured. The results show that as the mass percent KClO4 increased, the flame speed increased and peaked at 0.43 cm/s and 30 wt% KClO4. Thermochemical equilibrium simulations show that the heat of combustion increases with increasing KClO4 concentration up to a maximum at 20 wt% when the heat of combustion plateaus, indicating that the increased chemical energy liberated by the additional KClO4 promotes stable energy propagation. Differential scanning calorimeter and thermogravimetric analysis show that the silicone binder participates as a fuel and reacts with KClO4 adding energy to the reaction and promoting propagation.

  10. High Energy Density Additives for Hybrid Fuel Rockets to Improve Performance and Enhance Safety

    NASA Technical Reports Server (NTRS)

    Jaffe, Richard L.

    2014-01-01

    We propose a conceptual study of prototype strained hydrocarbon molecules as high energy density additives for hybrid rocket fuels to boost the performance of these rockets without compromising safety and reliability. Use of these additives could extend the range of applications for which hybrid rockets become an attractive alternative to conventional solid or liquid fuel rockets. The objectives of the study were to confirm and quantify the high enthalpy of these strained molecules and to assess improvement in rocket performance that would be expected if these additives were blended with conventional fuels. We confirmed the chemical properties (including enthalpy) of these additives. However, the predicted improvement in rocket performance was too small to make this a useful strategy for boosting hybrid rocket performance.

  11. ENERGY-DEPENDENT GAMMA-RAY BURST PULSE WIDTH DUE TO THE CURVATURE EFFECT AND INTRINSIC BAND SPECTRUM

    SciTech Connect

    Peng, Z. Y.; Ma, L.; Zhao, X. H.; Yin, Y.; Bao, Y. Y.

    2012-06-20

    Previous studies have found that the width of the gamma-ray burst (GRB) pulse is energy dependent and that it decreases as a power-law function with increasing photon energy. In this work we have investigated the relation between the energy dependence of the pulse and the so-called Band spectrum by using a sample including 51 well-separated fast rise and exponential decay long-duration GRB pulses observed by BATSE (Burst and Transient Source Experiment on the Compton Gamma Ray Observatory). We first decompose these pulses into rise and decay phases and find that the rise widths and the decay widths also behave as a power-law function with photon energy. Then we investigate statistically the relations between the three power-law indices of the rise, decay, and total width of the pulse (denoted as {delta}{sub r}, {delta}{sub d}, and {delta}{sub w}, respectively) and the three Band spectral parameters, high-energy index ({alpha}), low-energy index ({beta}), and peak energy (E{sub p} ). It is found that (1) {alpha} is strongly correlated with {delta}{sub w} and {delta}{sub d} but seems uncorrelated with {delta}{sub r}; (2) {beta} is weakly correlated with the three power-law indices, and (3) E{sub p} does not show evident correlations with the three power-law indices. We further investigate the origin of {delta}{sub d}-{alpha} and {delta}{sub w}-{alpha}. We show that the curvature effect and the intrinsic Band spectrum could naturally lead to the energy dependence of the GRB pulse width and also the {delta}{sub d}-{alpha} and {delta}{sub w}-{alpha} correlations. Our results hold so long as the shell emitting gamma rays has a curved surface and the intrinsic spectrum is a Band spectrum or broken power law. The strong {delta}{sub d}-{alpha} correlation and inapparent correlations between {delta}{sub r} and the three Band spectral parameters also suggest that the rise and decay phases of the GRB pulses have different origins.

  12. Design, realization and test of C-band accelerating structures for the SPARC_LAB linac energy upgrade

    NASA Astrophysics Data System (ADS)

    Alesini, D.; Bellaveglia, M.; Biagini, M. E.; Boni, R.; Brönnimann, M.; Cardelli, F.; Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M.; Ficcadenti, L.; Gallo, A.; Kalt, R.; Lollo, V.; Palumbo, L.; Piersanti, L.; Schilcher, T.

    2016-11-01

    The energy upgrade of the SPARC_LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.

  13. Initiation and Modification of Reaction by Energy Addition: Kinetic and Transport Phenomena

    DTIC Science & Technology

    1993-10-01

    MODIFICATION OF REACTION BY ENERGY ADDITION: KINETIC AND TRANSPORT PHENOMENA by Francis E. Fendell and Mau-Song Chou Center for Propulsion Technology...TA - A2 L AUHOWAC - F49620-90-C-0070 Francis E. Fendell and Mau-Song Chou 7. PEMOS101IG ORGANIZATION NAME(S AND...a gaseous mixture is more pertinent for the supersonic-combustor applications of interest to the Air Force (compare Figs. 1 and 2) (Carrier, Fendell

  14. Additive effects of electronic and nuclear energy loss in irradiation-induced amorphization of zircon

    DOE PAGES

    Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

    2015-12-29

    We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. As a result, we found that taking the electronic energy loss out as a frictionmore » term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.« less

  15. Additive effects of electronic and nuclear energy loss in irradiation-induced amorphization of zircon

    SciTech Connect

    Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

    2015-12-29

    We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. As a result, we found that taking the electronic energy loss out as a friction term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.

  16. Additive effects of electronic and nuclear energy losses in irradiation-induced amorphization of zircon

    SciTech Connect

    Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

    2015-12-28

    We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. We found that taking the electronic energy loss out as a friction term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.

  17. Edge effects on band gap energy in bilayer 2H-MoS2 under uniaxial strain

    NASA Astrophysics Data System (ADS)

    Dong, Liang; Wang, Jin; Namburu, Raju; O'Regan, Terrance P.; Dubey, Madan; Dongare, Avinash M.

    2015-06-01

    The potential of ultrathin MoS2 nanostructures for applications in electronic and optoelectronic devices requires a fundamental understanding in their electronic structure as a function of strain. Previous experimental and theoretical studies assume that an identical strain and/or stress state is always maintained in the top and bottom layers of a bilayer MoS2 film. In this study, a bilayer MoS2 supercell is constructed differently from the prototypical unit cell in order to investigate the layer-dependent electronic band gap energy in a bilayer MoS2 film under uniaxial mechanical deformations. The supercell contains an MoS2 bottom layer and a relatively narrower top layer (nanoribbon with free edges) as a simplified model to simulate the as-grown bilayer MoS2 flakes with free edges observed experimentally. Our results show that the two layers have different band gap energies under a tensile uniaxial strain, although they remain mutually interacting by van der Waals interactions. The deviation in their band gap energies grows from 0 to 0.42 eV as the uniaxial strain increases from 0% to 6% under both uniaxial strain and stress conditions. The deviation, however, disappears if a compressive uniaxial strain is applied. These results demonstrate that tensile uniaxial strains applied to bilayer MoS2 films can result in distinct band gap energies in the bilayer structures. Such variations need to be accounted for when analyzing strain effects on electronic properties of bilayer or multilayered 2D materials using experimental methods or in continuum models.

  18. A Fluorescent Indicator for Imaging Lysosomal Zinc(II) with Förster Resonance Energy Transfer (FRET)-Enhanced Photostability and a Narrow Band of Emission

    PubMed Central

    Sreenath, Kesavapillai; Yuan, Zhao; Allen, John R.

    2015-01-01

    We demonstrate a strategy to transfer the zinc(II) sensitivity of a fluoroionophore with low photostability and a broad emission band to a bright and photostable fluorophore with a narrow emission band. The two fluorophores are covalently connected to afford an intramolecular Förster resonance energy transfer (FRET) conjugate. The FRET donor in the conjugate is a zinc(II)-sensitive arylvinylbipyridyl fluoroionophore, the absorption and emission of which undergo bathochromic shifts upon zinc(II) coordination. When the FRET donor is excited, efficient intramolecular energy transfer occurs to result in the emission of the acceptor boron dipyrromethene (4,4-difluoro-4-bora-3a,4a-diaza-s-indacene or BODIPY) as a function of zinc(II) concentration. The broad emission band of the donor/zinc(II) complex is transformed into the strong, narrow emission band of the BODIPY acceptor in the FRET conjugates, which can be captured within the narrow emission window that is preferred for multicolor imaging experiments. In addition to competing with other nonradiative decay processes of the FRET donor, the rapid intramolecular FRET of the excited FRET-conjugate molecule protects the donor fluorophore from photobleaching, thus enhancing the photostability of the indicator. FRET conjugates 3 and 4 contain aliphatic amino groups, which selectively target lysosomes in mammalian cells. This subcellular localization preference was verified by using confocal fluorescence microscopy, which also shows the zinc(II)-enhanced emission of 3 and 4 in lysosomes. It was further shown using two-color structured illumination microscopy (SIM), which is capable of extending the lateral resolution over the Abbe diffraction limit by a factor of two, that the morpholino-functionalized compound 4 localizes in the interior of lysosomes, rather than anchoring on the lysosomal membranes, of live HeLa cells. PMID:25382395

  19. Energy and emissions saving potential of additive manufacturing: the case of lightweight aircraft components

    SciTech Connect

    Huang, Runze; Riddle, Matthew; Graziano, Diane; Warren, Joshua; Das, Sujit; Nimbalkar, Sachin; Cresko, Joe; Masanet, Eric

    2015-05-08

    Additive manufacturing (AM) holds great potential for improving materials efficiency, reducing life-cycle impacts, and enabling greater engineering functionality compared to conventional manufacturing (CM) processes. For these reasons, AM has been adopted by a growing number of aircraft component manufacturers to achieve more lightweight, cost-effective designs. This study estimates the net changes in life-cycle primary energy and greenhouse gas emissions associated with AM technologies for lightweight metallic aircraft components through the year 2050, to shed light on the environmental benefits of a shift from CM to AM processes in the U.S. aircraft industry. A systems modeling framework is presented, with integrates engineering criteria, life-cycle environmental data, and aircraft fleet stock and fuel use models under different AM adoption scenarios. Estimated fleetwide life-cycle primary energy savings in a rapid adoption scenario reach 70-174 million GJ/year in 2050, with cumulative savings of 1.2-2.8 billion GJ. Associated cumulative emission reduction potentials of CO2e were estimated at 92.8-217.4 million metric tons. About 95% of the savings is attributed to airplane fuel consumption reductions due to lightweighting. In addition, about 4050 tons aluminum, 7600 tons titanium and 8100 tons of nickel alloys could be saved per year in 2050. The results indicate a significant role of AM technologies in helping society meet its long-term energy use and GHG emissions reduction goals, and highlight barriers and opportunities for AM adoption for the aircraft industry.

  20. Band anticrossing in dilute nitrides

    SciTech Connect

    Shan, W.; Yu, K.M.; Walukiewicz, W.; Wu, J.; Ager III, J.W.; Haller, E.E.

    2003-12-23

    Alloying III-V compounds with small amounts of nitrogen leads to dramatic reduction of the fundamental band-gap energy in the resulting dilute nitride alloys. The effect originates from an anti-crossing interaction between the extended conduction-band states and localized N states. The interaction splits the conduction band into two nonparabolic subbands. The downward shift of the lower conduction subband edge is responsible for the N-induced reduction of the fundamental band-gap energy. The changes in the conduction band structure result in significant increase in electron effective mass and decrease in the electron mobility, and lead to a large enhance of the maximum doping level in GaInNAs doped with group VI donors. In addition, a striking asymmetry in the electrical activation of group IV and group VI donors can be attributed to mutual passivation process through formation of the nearest neighbor group-IV donor nitrogen pairs.

  1. Theoretical study of the dissociation energy and the red and violet band systems of CN

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1987-01-01

    The dissociation energy (D sub O) of CN is determined to be 7.65 + or - 0.06 eV. This corresponds to delta H sub f (CN) = 105.3 + or - 1.5 kcal/mole, in excellent agreement with Engleman and Rouse (1975), but considerably larger than the recent value deduced from shock-tube studies by Colket (1984). The result is obtained not only from extensive ab initio MRCI calculations using a very large Gaussian basis set, but also from extrapolation of the directly computed value by comparison of computed and experimental results fo NO, C2, and N2. As an additional calibration of the methods, the D sub O value for CN was computed from the corresponding value for CN(-) using the experimental electron affinity data. The lifetime of the nu prime = 0 level of the violet (B 2 sigma + yields X 2 sigma +) system was computed to be 62.4 ns, in good agreement with both experiment and previous calculations. Lifetimes for the red (A 2 pi yields X 2 sigma +) system decrease with increasing nu prime, which is consistent both with the recent experiment and calculations. While the computed lifetimes are significantly longer that those obtained from the experiment, they are shorter than those deduced from an analysis of the solar spectrum. However the D sub O and f (sub OO) are consistent with Lambert's model for the solar spectrum.

  2. Lac du Flambeau Band of Lake Superior Chippewa Indians Strategic Energy Plan

    SciTech Connect

    Bryan Hoover

    2009-11-16

    This plan discusses the current energy use on the Lac du Flambeau Reservation, the current status of the Tribe's energy program, as well as the issues and concerns with energy on the reservation. This plan also identifies and outlines energy opportunities, goals, and objectives for the Tribe to accomplish. The overall goal of this plan is to address the energy situation of the reservation in a holistic manner for the maximum benefit to the Tribe. This plan is an evolving document that will be re-evaluated as the Tribe's energy situation changes.

  3. Effect of Al Doping on Optical Band Gap Energy of Al-TiO2 Thin Films.

    PubMed

    Song, Yo-Seung; Kim, Bae-Yeon; Cho, Nam-Ihn; Lee, Deuk Yong

    2015-07-01

    Al-TiO2 thin films were prepared using a sol-gel derived spin coating by varying the Al/Ti molar ratio from 0 to 0.73 to investigate the effect of Al doping on the optical band gap energy (Eg) of the films. GAXRD results indicated that Al-TiO2 is composed of anatase and FTO phases when the Al/Ti molar ratio was less than 0.18. Above 0.38, no other peaks except FTO were found and transparency of the films was severely deteriorated. Eg of Al-TiO2 decreased from 3.20 eV to 2.07 eV when the Al/Ti ratio was raised from 0 to 0.38. Eg of 2.59 eV was found for the anatase Al-TiO2 films having the Al/Ti ratio of 0.18. The absorption band of Al-TiO2 coatings shifted dramatically from the UV region to the visible region with increasing the amount of Al dopant. The Al doping was mainly attributed to the optical band gap energy of Al-TiO2.

  4. Responses of primiparous and multiparous Holstein cows to additional energy from fat or concentrate during summer.

    PubMed

    Drackley, J K; Cicela, T M; LaCount, D W

    2003-04-01

    Supplemental fat has been advocated for use during hot weather and often increases milk yield of cows past peak production when energy intake should not be limiting. Relative responses of primiparous and multiparous cows to supplemental fat or isocaloric addition of concentrates under hot weather conditions have not been determined. Nine multiparous and nine primiparous Holstein cows (154 and 167 d in milk, respectively) were used in a replicated 3 x 3 Latin square design with 28-d periods. Diets were 1) control (35% alfalfa silage, 25% corn silage, and 40% concentrate, dry matter [DM] basis); 2) control plus 3% fat (HF); and 3) high concentrate ([HC] 15% alfalfa silage, 25% corn silage, and 60% concentrate). Diets were isonitrogenous; diets HF and HC were isocaloric (1.60 Mcal of net energy for lactation [NE(L)] per kilogram DM) and higher energy than the control (1.52 Mcal/kg). No parity x diet interactions approached significance. DM intake (DMI) was greater when cows were fed HC than when they were fed HF (21.0, 20.1, and 21.3 kg/d for control, HF, and HC, respectively); intake of NE(L) tended to be increased only for HC. Milk yield was increased by higher-energy diets, but milk fat content was decreased. Milk total protein content was decreased by HF and increased by HC. Yield of solids-corrected milk (SCM) was not different among diets. Efficiency of milk production, expressed either as total milk solids yield per kilogram of DMI or as kilograms of SCM per megacalorie of NE(L) intake, was greater for HF than for HC. Plasma glucose was higher after feeding for cows fed HC; plasma nonesterified fatty acids were greater for HF. Respiration rate and rectal temperature were greater for HC than for HF. Regardless of parity, increased energy density from either fat or concentrate increased milk yield in midlactation cows, but diets caused energy to be partitioned differently among milk components and body storage. Supplemental rumen-active fat had modest advantages

  5. Spin-dependent energy bands and spin polarization in two-dimensional spin-orbit lateral superlattices.

    PubMed

    Zhang, R L; Qi, D X; Wang, D L; Li, J; Peng, R W; Huang, R S; Wang, Mu

    2013-02-01

    In this work, we theoretically investigate the spin-split energy bands of electrons and spin-polarized transport in two-dimensional (2D) spin-orbit lateral superlattices (SOLSLs), where the square rods with Rashba spin-orbit coupling (SOC) are distributed periodically by applying gate voltages on the semiconductor. Within the Landauer framework of ballistic transport, the energy bands, the electrical conductance, the spin polarization and the spin-dependent electronic charge distributions have been calculated. It is found that the energy minibands are formed and the energy levels are split up by the Rashba SOC. As a result, the spin-polarized conductance is obtained even in the absence of external magnetic fields and magnetic materials. Meanwhile, the spin polarization can approach high values in the SOLSLs by manipulating the strength of SOC. Furthermore, the spin-dependent electronic charge distributions have been obtained, which present a clear picture of spin-polarized conductance. Our investigations have the potential applications in spin-based quantum devices and semiconductor spintronics.

  6. Energy band modulation of graphane by hydrogen-vacancy chains: A first-principles study

    SciTech Connect

    Wu, Bi-Ru; Yang, Chih-Kai

    2014-08-15

    We investigated a variety of configurations of hydrogen-vacancy chains in graphane by first-principles density functional calculation. We found that graphane with two zigzag H-vacancy chains segregated by one or more H chain is generally a nonmagnetic conductor or has a negligible band gap. However, the same structure is turned into a semiconductor and generates a magnetic moment if either one or both of the vacancy chains are blocked by isolated H atoms. If H-vacancy chains are continuously distributed, the structure is similar to a zigzag graphene nanoribbon embedded in graphane. It was also found that the embedded zigzag graphene nanoribbon is antiferromagnetic, and isolated H atoms left in the 2-chain nanoribbon can tune the band gap and generate net magnetic moments. Similar effects are also obtained if bare carbon atoms are present outside the nanoribbon. These results are useful for designing graphene-based nanoelectronic circuits.

  7. Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

    PubMed Central

    Seddiqzai, Meriam; Dahmen, Tobias; Sure, Rebecca

    2013-01-01

    Summary The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with the experimental values. The dispersion-corrected PW6B95-D3 functional provided very good results with deviations for the free activation barrier compared to the experimental values of only about 0.5 kcal mol−1 and was therefore employed in further calculations. Corrections for intramolecular London dispersion and solvation effects in the quantum chemical treatment are essential to obtain consistent and accurate theoretical data. For the investigated radical addition reaction it turned out that the polarity of the molecules is important and that a combination of electrophilic radicals with preferably nucleophilic arenes results in the highest rate constants. This is opposite to the Minisci reaction where the radical acts as nucleophile and the arene as electrophile. The substitution at the N-atom of the aniline is crucial. Methyl substitution leads to slower addition than phenyl substitution. Carbamates as substituents are suitable only when the radical center is not too electrophilic. No correlations between free reaction barriers and energies (ΔG ‡ and ΔG R) are found. Addition reactions leading to indanes or dihydrobenzofurans are too slow to be useful synthetically. PMID:24062821

  8. Evaluation of energy band offset of Si1‑ x Sn x semiconductors by numerical calculation using density functional theory

    NASA Astrophysics Data System (ADS)

    Nagae, Yuki; Kurosawa, Masashi; Araidai, Masaaki; Nakatsuka, Osamu; Shiraishi, Kenji; Zaima, Shigeaki

    2017-04-01

    We examined the numerical calculation for evaluating the energy band offset of Si1‑ x Sn x semiconductors and compared our calculation results with the results of previous theoretical calculation and experimental estimation. By estimating the charge neutrality level of Si1‑ x Sn x as a mutual basis level for comparison of the first-principles calculations for different Si1‑ x Sn x contents, the calculated valence band offset of Si1‑ x Sn x to Si was found to sensitively shift with upward bowing with increasing Sn content compared with that obtained using a conventional linear interpolation model. This is in good agreements with the experimental result.

  9. Quest for band renormalization and self-energy in correlated f-electron systems

    SciTech Connect

    Durakiewicx, Tomasz

    2009-01-01

    Coexisting energy scales are observed in f-electron materials. Information about some of the low-energy scales is imprinted in the electron self-energy which can be measured by angle-resolved photoemission (ARPES). Such measurements in d-electron materials over the last decade were based on high energy- and momentum-resolution ARPES techniques used to extract the self-energy information from measured spectra. Simultaneously, many-body theoretical approaches have been developed to find a link between self-energy and many-body interactions. Here we show the transcription of such methods from d-electrons to f-electrons by presenting the first example of low energy scales in f-electron material USb{sub 2}, measured with synchrotron-based ARPES. Proposed approach will help in answering the fundamental questions about the complex nature of the heavy fermion state.

  10. Schlieren Visualization of the Energy Addition by Multi Laser Pulse in Hypersonic Flow

    SciTech Connect

    Oliveira, A. C.; Minucci, M. A. S.; Toro, P. G. P.; Chanes, J. B. Jr; Myrabo, L. N.

    2008-04-28

    The experimental results of the energy addition by multi laser pulse in Mach 7 hypersonic flow are presented. Two high power pulsed CO{sub 2} TEA lasers (TEA1 5.5 J, TEA2 3.9 J) were assembled sharing the same optical cavity to generate the plasma upstream of a hemispherical model installed in the tunnel test section. The lasers can be triggered with a selectable time delay and in the present report the results obtained with delay between 30 {mu}s and 80 {mu}s are shown. The schlieren technique associated with a high speed camera was used to accomplish the influence of the energy addition in the mitigation of the shock wave formed on the model surface by the hypersonic flow. A piezoelectric pressure transducer was used to obtain the time history of the impact pressure at stagnation point of the model and the pressure reduction could be measured. The total recovery of the shock wave between pulses as well as the prolonged effect of the mitigation without recovery was observed by changing the delay.

  11. Energy and emissions saving potential of additive manufacturing: the case of lightweight aircraft components

    DOE PAGES

    Huang, Runze; Riddle, Matthew; Graziano, Diane; ...

    2015-05-08

    Additive manufacturing (AM) holds great potential for improving materials efficiency, reducing life-cycle impacts, and enabling greater engineering functionality compared to conventional manufacturing (CM) processes. For these reasons, AM has been adopted by a growing number of aircraft component manufacturers to achieve more lightweight, cost-effective designs. This study estimates the net changes in life-cycle primary energy and greenhouse gas emissions associated with AM technologies for lightweight metallic aircraft components through the year 2050, to shed light on the environmental benefits of a shift from CM to AM processes in the U.S. aircraft industry. A systems modeling framework is presented, with integratesmore » engineering criteria, life-cycle environmental data, and aircraft fleet stock and fuel use models under different AM adoption scenarios. Estimated fleetwide life-cycle primary energy savings in a rapid adoption scenario reach 70-174 million GJ/year in 2050, with cumulative savings of 1.2-2.8 billion GJ. Associated cumulative emission reduction potentials of CO2e were estimated at 92.8-217.4 million metric tons. About 95% of the savings is attributed to airplane fuel consumption reductions due to lightweighting. In addition, about 4050 tons aluminum, 7600 tons titanium and 8100 tons of nickel alloys could be saved per year in 2050. The results indicate a significant role of AM technologies in helping society meet its long-term energy use and GHG emissions reduction goals, and highlight barriers and opportunities for AM adoption for the aircraft industry.« less

  12. Two-term formula for ground band energy symmetry in low-lying levels of light Mg-Zr nuclei

    NASA Astrophysics Data System (ADS)

    Devi, Vidya

    2015-12-01

    In this paper, two parameter single-term energy formula EJ = aJb is used to study the energy spin relationship within the ground bands of even-even Mg-Zr nuclei. The formula works better for the γ-soft nuclei as well as vibrational nuclei. We also compared it with other two-parameter formulas: Ejiri, ab, pq and soft rotor formula (SRF). We also study the symmetry of the nuclei in the framework of interacting boson model (IBM-1). The IBM-1 was employed to determine the most appropriate Hamiltonian, the Hamiltonian of the IBM-1 and O(6) symmetry calculation, for the study of these isotopes. We have also calculated energy levels and B(E2) values for number of transitions in these 76-78Se and 76-78Kr isotopes and there is a good agreement between the presented results and the previous experimental data.

  13. Control of Metal/graphite Interfacial Energy Through the Interfacial Segregation of Alloying Additions.

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, Utpal

    Equilibrium segregation of Ni to the interface of a solid Pb/graphite and Au/graphite was studied using a solid state wetting approach and the crater edge profiling technique on a scanning Auger microprobe (SAM). All experiments were performed under ultra high vacuum (UHV) to reduce the effects due to surface adsorption of impurities. For the Pb/graphite system, increasing amounts of Ni ranging from 0 to 0.2wt% Ni added to Pb were found to systematically lower the contact angle for samples equilibrated at 285 ^circC. No significant surface segregation of Ni was observed at the Pb surface. The reduction of the contact angle was therefore attributed entirely to the lowering of the interfacial energy by interfacial adsorption of Ni. The interfacial energy and interfacial Ni concentration were obtained as a function of bulk Ni content. The presence of excess Ni at the interface was also determined using the crater edge profiling technique on the SAM for various bulk concentrations of Ni in Pb. The temperature dependence of the segregation process was also studied using the solid state wetting approach. The contact angle of Pb(Ni)/graphite was found to vary as a function of temperature for a given Ni content. No temperature dependence was observed in the case of pure Pb/graphite. The change in interfacial energy and the interfacial Ni concentration were obtained as a function of temperature from thermodynamic considerations, and from that the enthalpy and the entropy of interfacial segregation were determined. For the Au/graphite system at 850^circC, addition of 15at%Ni to Au caused a reduction of contact angle by 7.8^circ with accompanying reduction in interfacial energy. Ni was found to segregate to both the free Au surface as well as to the Au/graphite interface. In addition C was also found to segregate to the Au surface thus lowering the surface energy. The modified surface energy was considered in the determination of the interfacial energy and interfacial Ni

  14. Energy ranges and pitch angles of outer radiation belt electrons depleted by an intense dayside hydrogen band EMIC wave event on February 23, 2014

    NASA Astrophysics Data System (ADS)

    Engebretson, M. J.; Posch, J. L.; Huang, C. L.; Kanekal, S. G.; Fok, M. C. H.; Rodger, C. J.; Smith, C. W.; Spence, H. E.; Baker, D. N.; Kletzing, C.; Wygant, J. R.

    2015-12-01

    Although most studies of the effect of EMIC waves on relativistic electrons have focused on wave events in the afternoon sector in the outer plasmasphere or plume region, strong magnetospheric compressions provide an additional stimulus for EMIC wave generation across a large range of local times and L shells. We present here observations of the effects of an intense, long-duration hydrogen band EMIC wave event on February 23, 2014 that was stimulated by a gradual 4-hour rise and subsequent sharp increases in solar wind pressure. Large-amplitude linearly polarized hydrogen band EMIC waves (up to 25 nT p-p) that included triggered emissions appeared for over 4 hours at both Van Allen Probes while these spacecraft were outside the plasmapause, in a region with densities ~5-20 cm-3, as they passed near apogee from late morning through local noon. Observations of radiation belt electrons by the REPT and MagEIS instruments on these spacecraft showed that these waves caused significant depletions of more field-aligned electrons at ultrarelativistic energies from 5.2 MeV down to ~2 MeV, and some depletions at energies down to below 1 MeV as well.

  15. Band gap opening in strongly compressed diamond observed by x-ray energy loss spectroscopy

    SciTech Connect

    Gamboa, E. J.; Fletcher, L. B.; Lee, H. J.; MacDonald, M. J.; Zastrau, U.; Gauthier, M.; Gericke, D. O.; Vorberger, J.; Granados, E.; Hastings, J. B.; Glenzer, S. H.

    2016-01-25

    The extraordinary mechanical and optical properties of diamond are the basis of numerous technical applications and make diamond anvil cells a premier device to explore the high-pressure behavior of materials. However, at applied pressures above a few hundred GPa, optical probing through the anvils becomes difficult because of the pressure-induced changes of the transmission and the excitation of a strong optical emission. Such features have been interpreted as the onset of a closure of the optical gap in diamond, and can significantly impair spectroscopy of the material inside the cell. In contrast, a comparable widening has been predicted for purely hydrostatic compressions, forming a basis for the presumed pressure stiffening of diamond and resilience to the eventual phase change to BC8. We here present the first experimental evidence of this effect at geo-planetary pressures, exceeding the highest ever reported hydrostatic compression of diamond by more than 200 GPa and any other measurement of the band gap by more than 350 GPa. We here apply laser driven-ablation to create a dynamic, high pressure state in a thin, synthetic diamond foil together with frequency-resolved x-ray scattering as a probe. The frequency shift of the inelastically scattered x-rays encodes the optical properties and, thus, the behavior of the band gap in the sample. Using the ultra-bright x-ray beam from the Linac Coherent Light Source (LCLS), we observe an increasing direct band gap in diamond up to a pressure of 370 GPa. This finding points to the enormous strains in the anvils and the impurities in natural Type Ia diamonds as the source of the observed closure of the optical window. Our results demonstrate that diamond remains an insulating solid to pressures approaching its limit strength.

  16. Energy band alignment at ferroelectric/electrode interface determined by photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Feng; Wu, Wen-Bin; Li, Shun-Yi; Andreas, Klein

    2014-01-01

    The most important interface-related quantities determined by band alignment are the barrier heights for charge transport, given by the Fermi level position at the interface. Taking Pb(Zr,Ti)O3 (PZT) as a typical ferroelectric material and applying X-ray photoelectron spectroscopy (XPS), we briefly review the interface formation and barrier heights at the interfaces between PZT and electrodes made of various metals or conductive oxides. Polarization dependence of the Schottky barrier height at a ferroelectric/electrode interface is also directly observed using XPS.

  17. Origin of the low-energy emission band in epitaxially grown para-sexiphenyl nanocrystallites

    SciTech Connect

    Kadashchuk, A.; Schols, S.; Heremans, P.; Skryshevski, Yu.; Piryatinski, Yu.; Beinik, I.; Teichert, C.; Hernandez-Sosa, G.; Sitter, H.; Andreev, A.; Frank, P.; Winkler, A.

    2009-02-28

    A comparative study of steady-state and time-resolved photoluminescence of para-sexiphenyl (PSP) films grown by organic molecular beam epitaxy (OMBE) and hot wall epitaxy (HWE) under comparable conditions is presented. Using different template substrates [mica(001) and KCl(001) surfaces] as well as different OMBE growth conditions has enabled us to vary greatly the morphology of the PSP crystallites while keeping their chemical structure virtually untouched. We prove that the broad redshifted emission band has a structure-related origin rather than being due to monomolecular oxidative defects. We conclude that the growth conditions and type of template substrate impacts substantially on the film morphology (measured by atomic force microscopy) and emission properties of the PSP films. The relative intensity of the defect emission band observed in the delayed spectra was found to correlate with the structural quality of PSP crystallites. In particular, the defect emission has been found to be drastically suppressed when (i) a KCl template substrate was used instead of mica in HWE-grown films, and (ii) in the OMBE-grown films dominated by growth mounds composed of upright standing molecules as opposed to the films consisting of crystallites formed by molecules lying parallel to the substrate.

  18. Origin of the low-energy emission band in epitaxially grown para-sexiphenyl nanocrystallites

    NASA Astrophysics Data System (ADS)

    Kadashchuk, A.; Schols, S.; Heremans, P.; Skryshevski, Yu.; Piryatinski, Yu.; Beinik, I.; Teichert, C.; Hernandez-Sosa, G.; Sitter, H.; Andreev, A.; Frank, P.; Winkler, A.

    2009-02-01

    A comparative study of steady-state and time-resolved photoluminescence of para-sexiphenyl (PSP) films grown by organic molecular beam epitaxy (OMBE) and hot wall epitaxy (HWE) under comparable conditions is presented. Using different template substrates [mica(001) and KCl(001) surfaces] as well as different OMBE growth conditions has enabled us to vary greatly the morphology of the PSP crystallites while keeping their chemical structure virtually untouched. We prove that the broad redshifted emission band has a structure-related origin rather than being due to monomolecular oxidative defects. We conclude that the growth conditions and type of template substrate impacts substantially on the film morphology (measured by atomic force microscopy) and emission properties of the PSP films. The relative intensity of the defect emission band observed in the delayed spectra was found to correlate with the structural quality of PSP crystallites. In particular, the defect emission has been found to be drastically suppressed when (i) a KCl template substrate was used instead of mica in HWE-grown films, and (ii) in the OMBE-grown films dominated by growth mounds composed of upright standing molecules as opposed to the films consisting of crystallites formed by molecules lying parallel to the substrate.

  19. The study of below and above band-edge imperfection states in In2S3 solar energy materials

    NASA Astrophysics Data System (ADS)

    Ho, Ching-Hwa

    2012-08-01

    β-In2S3 is a nontoxic buffer layer material usually used in a thin-film solar cell due to a lot of vacancies and surface states naturally existing in the crystal to assist in photoelectric conversion. Transition metal (TM)-incorporated β-In2S3 has also been proposed to increase conversion efficiency in In2S3 since multi-photons absorption by intermediate band (IB) would happen in the sulfide. In this paper, single crystals of undoped and Nb-doped β-In2S3 have been grown by the chemical vapor transport (CVT) method using ICl3 as a transport agent. Optical properties of the imperfection states of the crystals are probed by thermoreflectance (TR), photoconductivity (PC), photoluminescence (PL), surface photoconductive response (SPR), optical absorption and photo-voltage-current (photo V-I) measurements. The TR and optical-absorption measurements confirmed that the undoped and Nb-doped β-In2S3 are direct semiconductors with energy gap of 1.935 eV for undoped β-In2S3, 1.923 eV for β-In2S3:Nb0.005, and 1.901 eV for β-In2S3:Nb0.01. For undoped β-In2S3, PC and PL measurements are used to characterize defect transitions below band gap. The above band-edge transitions of undoped β-In2S3 have also been evaluated using PL, PC, and SPR measurements. For the evaluation of Nb-doped β-In2S3, an intermediate band with energy of ∼0.4 eV below the conduction band edge has been detected in the TR measurements in both β-In2S3:Nb0.005 and β-In2S3:Nb0.01. The photo V-I measurements also verified that the photoelectric-conversion efficiency would be enhanced in the β-In2S3 with higher niobium content. Based on the experimental analyses, the optical behavior of the defects, surface states, and IB (formed by Nb) in the In2S3 crystals is thus explored.

  20. Effect of electrolyte addition to rehydration drinks consumed after severe fluid and energy restriction.

    PubMed

    James, Lewis J; Shirreffs, Susan M

    2015-02-01

    This study examined the effect of electrolyte addition to drinks ingested after severe fluid and energy restriction (FER). Twelve subjects (6 male and 6 female) completed 3 trials consisting of 24-hour FER (energy intake: 21 kJ·kg body mass; water intake: 5 ml·kg body mass), followed by a 2-hour rehydration period and a 4-hour monitoring period. During rehydration, subjects ingested a volume of drink equal to 125% of the body mass lost during FER in 6 aliquots, once every 20 minutes. Drinks were a sugar-free lemon squash (P) or the P drink with the addition of 50 mmol·L sodium chloride (Na) or 30 mmol·L potassium chloride (K). Total void urine samples were given before and after FER and every hour during rehydration and monitoring. Over all trials, FER produced a 2.1% reduction in body mass and negative sodium (-67 mmol), potassium (-48 mmol), and chloride (-84 mmol) balances. Urine output after drinking was 1627 (540) ml (P), 1391 (388) ml (K), and 1150 (438) ml (Na), with a greater postdrinking urine output during P than Na (p ≤ 0.05). Ingestion of drink Na resulted in a more positive sodium balance compared with P or K (p < 0.001), whereas ingestion of drink K resulted in a more positive potassium balance compared with P or Na (p < 0.001). These results demonstrate that after 24-hour FER, ingestion of a high sodium drink results in an increased sodium balance that augments greater drink retention compared with a low electrolyte placebo drink.

  1. Reconstructing the energy band electronic structure of pulsed laser deposited CZTS thin films intended for solar cell absorber applications

    NASA Astrophysics Data System (ADS)

    Pandiyan, Rajesh; Oulad Elhmaidi, Zakaria; Sekkat, Zouheir; Abd-lefdil, Mohammed; El Khakani, My Ali

    2017-02-01

    We report here on the use of pulsed KrF-laser deposition (PLD) technique for the growth of high-quality Cu2ZnSnS4 (CZTS) thin films onto Si, and glass substrates without resorting to any post sulfurization process. The PLD-CZTS films were deposited at room temperature (RT) and then subjected to post annealing at different temperatures ranging from 200 to 500 °C in Argon atmosphere. The X-ray diffraction and Raman spectroscopy confirmed that the PLD films crystallize in the characteristic kesterite CZTS structure regardless of their annealing temperature (Ta), but their crystallinity is much improved for Ta ≥ 400 °C. The PLD-CZTS films were found to exhibit a relatively dense morphology with a surface roughness (RMS) that increases with Ta (from ∼14 nm at RT to 70 nm at Ta = 500 °C with a value around 40 nm for Ta = 300-400 °C). The optical bandgap of the PLD-CZTS films, was derived from UV-vis transmission spectra analysis, and found to decrease from 1.73 eV for non-annealed films to ∼1.58 eV for those annealed at Ta = 300 °C. These band gap values are very close to the optimum value needed for an ideal solar cell absorber. In order to achieve a complete reconstruction of the one-dimensional energy band structure of these PLD-CZTS absorbers, we have combined both XPS and UPS spectroscopies to determine their chemical bondings, the position of their valence band maximum (relative to Fermi level), and their work function values. This enabled us to sketch out, as accurately as possible, the band alignment of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials.

  2. The Number of High-Energy Bands in the Photoelectron Spectrum of Alkanes

    NASA Astrophysics Data System (ADS)

    Merris, Russell; Gutman, Ivan

    2000-12-01

    It was observed that within the Bieri-Dill-Heilbronner-Schmelzer model for the calculation of the ion-ization energies of alkanes CnH2n+2, there are exactly n C2s -electron energy levels lying below the degenerate α-ß manifold. We now show that, indeed, this regularity is obeyed by practically all alkane species. Exceptions do exist, but they must possess a (chemically infeasible) group of more than six mutually connected quaternary carbon atoms.

  3. Intermediate-band photosensitive device with quantum dots embedded in energy fence barrier

    DOEpatents

    Forrest, Stephen R.; Wei, Guodan

    2010-07-06

    A plurality of layers of a first semiconductor material and a plurality of dots-in-a-fence barriers disposed in a stack between a first electrode and a second electrode. Each dots-in-a-fence barrier consists essentially of a plurality of quantum dots of a second semiconductor material embedded between and in direct contact with two layers of a third semiconductor material. Wave functions of the quantum dots overlap as at least one intermediate band. The layers of the third semiconductor material are arranged as tunneling barriers to require a first electron and/or a first hole in a layer of the first material to perform quantum mechanical tunneling to reach the second material within a respective quantum dot, and to require a second electron and/or a second hole in a layer of the first semiconductor material to perform quantum mechanical tunneling to reach another layer of the first semiconductor material.

  4. Fermi level stabilization and band edge energies in Cd{sub x}Zn{sub 1−x}O alloys

    SciTech Connect

    Detert, Douglas M.; Tom, Kyle B.; Dubon, Oscar D.; Battaglia, Corsin; Javey, Ali; Denlinger, Jonathan D.; Lim, Sunnie H. N.; Anders, André; Yu, Kin M.; Walukiewicz, Wladek

    2014-06-21

    We have measured the band edge energies of Cd{sub x}Zn{sub 1−x}O thin films as a function of composition by three independent techniques: we determine the Fermi level stabilization energy by pinning the Fermi level with ion irradiation, measure the binding energy of valence band states and core levels by X-ray photoelectron spectroscopy, and probe shifts in the conduction band and valence band density of states using soft X-ray absorption and emission spectroscopy, respectively. The three techniques find consensus in explaining the origin of compositional trends in the optical-bandgap narrowing upon Cd incorporation in wurtzite ZnO and widening upon Zn incorporation in rocksalt CdO. The conduction band minimum is found to be stationary for both wurtzite and rocksalt alloys, and a significant upward rise of the valence band maximum accounts for the majority of these observed bandgap changes. Given these band alignments, alloy disorder scattering is found to play a negligible role in decreasing the electron mobility for all alloys. These band alignment details, combined with the unique optical and electrical properties of the two phase regimes, make CdZnO alloys attractive candidates for photoelectrochemical water splitting applications.

  5. Potential Role of Energy Band Theory in Finite Solids and in Resonant Phenomena Involving Metal-Induced Fusion and the Fleischmann-Pons Effect

    NASA Astrophysics Data System (ADS)

    Chubb, Scott

    2009-03-01

    Considerable confusion occurred from a speculative conjecture that Talbot Chubb and I suggested in 1989, concerning the potential role of conventional energy band theory in the ``cold fusion'' claims, suggested by Fleischmann and Pons.ootnotetextDavid Lindley, Nature 344, 375 (1990).. Two important reasons for this are related to: 1. Misconceptions, about what was taking place in the experiments, and 2. Limitations of conventional energy band theory. In particular, Talbot Chubb and I proposed the idea that deuterium nuclei (deuterons) could occupy energy band states or have overlap with these kinds of states with ``unforeseen'' consequences, including, the possibility of nuclear fusion. Conventional energy band theory has limitations, associated with the underlying quantum mechanics. Talbot Chubb and I have investigated an important problem, relating to extending conventional energy band theory, as it applies to infinitely-repeating ordered crystals, to finite crystal lattices, where energy band theory can be re-expressed more precisely through resonant or nearly-resonant effects and the ``conventional'' Coulomb Barrier problem of fusion can be replaced by a considerably richer problem.

  6. Interfacial Properties of Monolayer and Bilayer MoS2 Contacts with Metals: Beyond the Energy Band Calculations

    PubMed Central

    Zhong, Hongxia; Quhe, Ruge; Wang, Yangyang; Ni, Zeyuan; Ye, Meng; Song, Zhigang; Pan, Yuanyuan; Yang, Jinbo; Yang, Li; Lei, Ming; Shi, Junjie; Lu, Jing

    2016-01-01

    Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal contacts has not been well understood yet. We provide a comprehensive ab initio study of the interfacial properties of a series of monolayer (ML) and bilayer (BL) MoS2-metal contacts (metal = Sc, Ti, Ag, Pt, Ni, and Au). A comparison between the calculated and observed Schottky barrier heights (SBHs) suggests that many-electron effects are strongly suppressed in channel 2D MoS2 due to a charge transfer. The extensively adopted energy band calculation scheme fails to reproduce the observed SBHs in 2D MoS2-Sc interface. By contrast, an ab initio quantum transport device simulation better reproduces the observed SBH in 2D MoS2-Sc interface and highlights the importance of a higher level theoretical approach beyond the energy band calculation in the interface study. BL MoS2-metal contacts generally have a reduced SBH than ML MoS2-metal contacts due to the interlayer coupling and thus have a higher electron injection efficiency. PMID:26928583

  7. Enhanced Water Splitting by Fe2O3-TiO2-FTO Photoanode with Modified Energy Band Structure

    PubMed Central

    Noh, Eul; Noh, Kyung-Jong; Yun, Kang-Seop; Kim, Bo-Ra; Jeong, Hee-June; Oh, Hyo-Jin; Kang, Woo-Seung

    2013-01-01

    The effect of TiO2 layer applied to the conventional Fe2O3/FTO photoanode to improve the photoelectrochemical performance was assessed from the viewpoint of the microstructure and energy band structure. Regardless of the location of the TiO2 layer in the photoanodes, that is, Fe2O3/TiO2/FTO or TiO2/Fe2O3/FTO, high performance was obtained when α-Fe2O3 and H-TiNT/anatase-TiO2 phases existed in the constituent Fe2O3 and TiO2 layers after optimized heat treatments. The presence of the Fe2O3 nanoparticles with high uniformity in the each layer of the Fe2O3/TiO2/FTO photoanode achieved by a simple dipping process seemed to positively affect the performance improvement by modifying the energy band structure to a more favorable one for efficient electrons transfer. Our current study suggests that the application of the TiO2 interlayer, together with α-Fe2O3 nanoparticles present in the each constituent layers, could significantly contribute to the performance improvement of the conventional Fe2O3 photoanode. PMID:24501585

  8. Interfacial Properties of Monolayer and Bilayer MoS2 Contacts with Metals: Beyond the Energy Band Calculations.

    PubMed

    Zhong, Hongxia; Quhe, Ruge; Wang, Yangyang; Ni, Zeyuan; Ye, Meng; Song, Zhigang; Pan, Yuanyuan; Yang, Jinbo; Yang, Li; Lei, Ming; Shi, Junjie; Lu, Jing

    2016-03-01

    Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal contacts has not been well understood yet. We provide a comprehensive ab initio study of the interfacial properties of a series of monolayer (ML) and bilayer (BL) MoS2-metal contacts (metal = Sc, Ti, Ag, Pt, Ni, and Au). A comparison between the calculated and observed Schottky barrier heights (SBHs) suggests that many-electron effects are strongly suppressed in channel 2D MoS2 due to a charge transfer. The extensively adopted energy band calculation scheme fails to reproduce the observed SBHs in 2D MoS2-Sc interface. By contrast, an ab initio quantum transport device simulation better reproduces the observed SBH in 2D MoS2-Sc interface and highlights the importance of a higher level theoretical approach beyond the energy band calculation in the interface study. BL MoS2-metal contacts generally have a reduced SBH than ML MoS2-metal contacts due to the interlayer coupling and thus have a higher electron injection efficiency.

  9. Accurate energy bands calculated by the hybrid quasiparticle self-consistent GW method implemented in the ecalj package

    NASA Astrophysics Data System (ADS)

    Deguchi, Daiki; Sato, Kazunori; Kino, Hiori; Kotani, Takao

    2016-05-01

    We have recently implemented a new version of the quasiparticle self-consistent GW (QSGW) method in the ecalj package released at http://github.com/tkotani/ecalj. Since the new version of the ecalj package is numerically stable and more accurate than the previous versions, we can perform calculations easily without being bothered with tuning input parameters. Here we examine its ability to describe energy band properties, e.g., band-gap energy, eigenvalues at special points, and effective mass, for a variety of semiconductors and insulators. We treat C, Si, Ge, Sn, SiC (in 2H, 3C, and 4H structures), (Al, Ga, In) × (N, P, As, Sb), (Zn, Cd, Mg) × (O, S, Se, Te), SiO2, HfO2, ZrO2, SrTiO3, PbS, PbTe, MnO, NiO, and HgO. We propose that a hybrid QSGW method, where we mix 80% of QSGW and 20% of LDA, gives universally good agreement with experiments for these materials.

  10. Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

    SciTech Connect

    Heo, Sung; Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su; Song, Taewon; Lee, Dongho Nam, Junggyu; Kang, Hee Jae; Choi, Pyung-Ho; Choi, Byoung-Deog

    2015-06-29

    To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.

  11. Energies of Maxima and Oscillator Strengths of CaO Elementary Transition Bands Over a Wide Energy Range

    NASA Astrophysics Data System (ADS)

    Sobolev, V. V.; Merzlyakov, D. A.; Sobolev, V. Val.

    2016-09-01

    Integral spectra of the imaginary parts of the dielectric permittivity ɛ2(E) and characteristic volume (-Im ɛ-1) and surface [-Im (1 + ɛ)-1] energy losses of calcium oxide were deconvoluted into elementary components in the range 6-40 eV. The main component parameters including the energies of maxima and oscillator strengths were determined using an improved non-parametric method of united Argand diagrams and the method of the effective number of valence electrons participating in the transitions. A total of 41 components with oscillator strengths in the range 0.001-0.22 were identified instead of the 14 maxima and shoulders of the integral spectra. They were caused by transverse and longitudinal exciton and interband transitions.

  12. Photon mass energy transfer coefficients for elements z=1 to 92 and 48 additional substances of dosimetric interest.

    PubMed

    Kato, Hideki

    2014-07-01

    Photon mass energy transfer coefficient is an essential factor when converting photon energy fluence into kinetic energy released per unit mass (kerma). Although mass attenuation coefficient and mass energy absorption coefficients can be looked up in databases, the mass energy transfer coefficient values are still controversial. In this paper, the photon mass energy transfer coefficients for elements Z=1-92 were calculated based on cross-sectional data for each photon interaction type. Mass energy transfer coefficients for 48 compounds and/or mixtures of dosimetric interest were calculated from coefficient data for elements using Bragg's additivity rule. We additionally developed software that can search these coefficient data for any element or substance of dosimetric interest. The database and software created in this paper should prove useful for radiation measurements and/or dose calculations.

  13. Excitonic spectra and energy band structure of ZnAl2Se4 crystals

    NASA Astrophysics Data System (ADS)

    Syrbu, N. N.; Zalamai, V. V.; Tiron, A. V.; Tiginyanu, I. M.

    2015-11-01

    Absorption, reflection and wavelength modulated reflection spectra were investigated in ZnAl2Se4 crystals. The energy positions of ground and excited states for three excitonic series (А, В and С) were determined. The main parameters of excitons and more precise values of energy intervals V1(Γ7)-C1(Γ6), V2(Γ6)-C1(Γ6), and V3(Γ7)-C1(Γ6) were estimated. Values of splitting due to crystal field and spin-orbital interaction were calculated. Effective masses of electrons (mC1∗) and holes (mV1∗, mV2∗, mV3∗) were estimated. Reflection spectra contours in excitonic region were calculated using dispersion equations. Optical functions for E > Eg from measured reflection spectra were assigned on the base of Kramers-Kronig relations.

  14. Enhanced Spontaneous Emission of Bloch Oscillation Radiation from a Single Energy Band

    DTIC Science & Technology

    2006-06-30

    electron becomes BPe s =4.3 10−6 meV, and since there are a total of n=5 109 electrons in the active region of the SL, the generated energy achievable...is estimated to be P=n BPe s =21.7 eV, which corresponds to an approximate power generation of W= B /NP0.1 W. In this power estimate, it is noted

  15. Sensing for directed energy deposition and powder bed fusion additive manufacturing at Penn State University

    NASA Astrophysics Data System (ADS)

    Nassar, Abdalla R.; Reutzel, Edward W.; Brown, Stephen W.; Morgan, John P.; Morgan, Jacob P.; Natale, Donald J.; Tutwiler, Rick L.; Feck, David P.; Banks, Jeffery C.

    2016-04-01

    Additive manufacturing of metal components through directed energy deposition or powder bed fusion is a complex undertaking, often involving hundreds or thousands of individual laser deposits. During processing, conditions may fluctuate, e.g. material feed rate, beam power, surrounding gas composition, local and global temperature, build geometry, etc., leading to unintended variations in final part geometry, microstructure and properties. To assess or control as-deposited quality, researchers have used a variety of methods, including those based on sensing of melt pool and plume emission characteristics, characteristics of powder application, and layer-wise imaging. Here, a summary of ongoing process monitoring activities at Penn State is provided, along with a discussion of recent advancements in the area of layer-wise image acquisition and analysis during powder bed fusion processing. Specifically, methods that enable direct comparisons of CAD model, build images, and 3D micro-tomographic scan data will be covered, along with thoughts on how such analyses can be related to overall process quality.

  16. Additions and improvements to the high energy density physics capabilities in the FLASH code

    NASA Astrophysics Data System (ADS)

    Lamb, D. Q.; Flocke, N.; Graziani, C.; Tzeferacos, P.; Weide, K.

    2016-10-01

    FLASH is an open source, finite-volume Eulerian, spatially adaptive radiation magnetohydrodynamics code that has the capabilities to treat a broad range of physical processes. FLASH performs well on a wide range of computer architectures, and has a broad user base. Extensive high energy density physics (HEDP) capabilities have been added to FLASH to make it an open toolset for the academic HEDP community. We summarize these capabilities, emphasizing recent additions and improvements. In particular, we showcase the ability of FLASH to simulate the Faraday Rotation Measure produced by the presence of magnetic fields; and proton radiography, proton self-emission, and Thomson scattering diagnostics with and without the presence of magnetic fields. We also describe several collaborations with the academic HEDP community in which FLASH simulations were used to design and interpret HEDP experiments. This work was supported in part at the University of Chicago by the DOE NNSA ASC through the Argonne Institute for Computing in Science under field work proposal 57789; and the NSF under Grant PHY-0903997.

  17. Additions and Improvements to the FLASH Code for Simulating High Energy Density Physics Experiments

    NASA Astrophysics Data System (ADS)

    Lamb, D. Q.; Daley, C.; Dubey, A.; Fatenejad, M.; Flocke, N.; Graziani, C.; Lee, D.; Tzeferacos, P.; Weide, K.

    2015-11-01

    FLASH is an open source, finite-volume Eulerian, spatially adaptive radiation hydrodynamics and magnetohydrodynamics code that incorporates capabilities for a broad range of physical processes, performs well on a wide range of computer architectures, and has a broad user base. Extensive capabilities have been added to FLASH to make it an open toolset for the academic high energy density physics (HEDP) community. We summarize these capabilities, with particular emphasis on recent additions and improvements. These include advancements in the optical ray tracing laser package, with methods such as bi-cubic 2D and tri-cubic 3D interpolation of electron number density, adaptive stepping and 2nd-, 3rd-, and 4th-order Runge-Kutta integration methods. Moreover, we showcase the simulated magnetic field diagnostic capabilities of the code, including induction coils, Faraday rotation, and proton radiography. We also describe several collaborations with the National Laboratories and the academic community in which FLASH has been used to simulate HEDP experiments. This work was supported in part at the University of Chicago by the DOE NNSA ASC through the Argonne Institute for Computing in Science under field work proposal 57789; and the NSF under grant PHY-0903997.

  18. Solvation free energy of the peptide group: its model dependence and implications for the additive-transfer free-energy model of protein stability.

    PubMed

    Tomar, Dheeraj S; Asthagiri, D; Weber, Valéry

    2013-09-17

    The group-additive decomposition of the unfolding free energy of a protein in an osmolyte solution relative to that in water poses a fundamental paradox: whereas the decomposition describes the experimental results rather well, theory suggests that a group-additive decomposition of free energies is, in general, not valid. In a step toward resolving this paradox, here we study the peptide-group transfer free energy. We calculate the vacuum-to-solvent (solvation) free energies of (Gly)n and cyclic diglycine (cGG) and analyze the data according to experimental protocol. The solvation free energies of (Gly)n are linear in n, suggesting group additivity. However, the slope interpreted as the free energy of a peptide unit differs from that for cGG scaled by a factor of half, emphasizing the context dependence of solvation. However, the water-to-osmolyte transfer free energies of the peptide unit are relatively independent of the peptide model, as observed experimentally. To understand these observations, a way to assess the contribution to the solvation free energy of solvent-mediated correlation between distinct groups is developed. We show that linearity of solvation free energy with n is a consequence of uniformity of the correlation contributions, with apparent group-additive behavior in the water-to-osmolyte transfer arising due to their cancellation. Implications for inferring molecular mechanisms of solvent effects on protein stability on the basis of the group-additive transfer model are suggested.

  19. Atmospheric correction of LANDSAT TM thermal band using surface energy balance

    NASA Technical Reports Server (NTRS)

    Vidal, Alain; Devaux-Ros, Claire; Moran, M. Susan

    1994-01-01

    Thermal infrared data of LANDSAT Thematic Mapper (TM) are hardly used, probably due to the difficulties met when trying to correct them for atmospheric effects. A method for correcting these data was designed, based on surface energy balance estimation of known wet and dry targets included in the TM image to be corrected. This method, only using the image itself and local meteorological data was tested and validated on various surfaces: agricultural, forest and rangeland. The root mean square error on corrected temperatures is on the order of 1C.

  20. Department of Energy Efforts to Promote Universal Adherence to the IAEA Additional Protocol

    SciTech Connect

    Killinger, Mark H.; Hansen, Linda H.; Kovacic, Don N.; VanSickle, Matthew; Apt, Kenneth E.

    2009-10-06

    Entry-into-force of the U.S. Additional Protocol (AP) in January 2009 continues to demonstrate the ongoing commitment by the United States to promote universal adherence to the AP. The AP is a critical tool for improving the International Atomic Energy Agency’s (IAEA) capabilities to detect undeclared activities that indicate a clandestine nuclear weapons program. This is because States Parties are required to provide information about, and access to, nuclear fuel cycle activities beyond their traditional safeguards reporting requirements. As part of the U.S. AP Implementation Act and Senate Resolution of Ratification, the Administration is required to report annually to Congress on measures taken to achieve the adoption of the AP in non-nuclear weapon states, as well as assistance to the IAEA to promote the effective implementation of APs in those states. A key U.S. effort in this area is being managed by the International Nuclear Safeguards and Engagement Program (INSEP) of the U.S. Department of Energy (DOE). Through new and existing bilateral cooperation agreements, INSEP has initiated technical assistance projects for AP implementation with selected non-weapon states. States with which INSEP is currently cooperating include Vietnam and Thailand, with Indonesia, Algeria, Morocco, and other countries as possible future collaborators in the area of AP implementation. The INSEP collaborative model begins with a joint assessment with our partners to identify specific needs they may have regarding entering the AP into force and any impediments to successful implementation. An action plan is then developed detailing and prioritizing the necessary joint activities. Such assistance may include: advice on developing legal frameworks and regulatory documents; workshops to promote understanding of AP requirements; training to determine possible declarable activities; assistance in developing a system to collect and submit declarations; performing industry outreach to

  1. Electronic structure of cerium hydrides: Augmented-plane-wave linear-combination-of-atomic-orbitals energy bands

    NASA Astrophysics Data System (ADS)

    Fujimori, A.; Minami, F.; Tsuda, N.

    1980-10-01

    Electronic energy bands have been calculated for CeH2 and CeH3 using the augmented-plane-wave method and have been fitted by the linear-combination-of-atomic-orbitals interpolation scheme. The partial densities of states and the numbers of electrons on atomic orbitals indicate that hydrogen in CeH2 is almost anionlike. When going from CeH2 to CeH3, shallow bonding levels are found to form between the third hydrogen state and conduction electrons of CeH2, other features of CeH2 being little affected by it. Thus the rare-earth dihydrides are regarded as ionic compounds similar to the saline-element dihydrides except for the presence of d-like conduction electrons.

  2. Energy landscape and band-structure tuning in realistic MoS2/MoSe2 heterostructures

    NASA Astrophysics Data System (ADS)

    Constantinescu, Gabriel C.; Hine, Nicholas D. M.

    2015-05-01

    While monolayer forms of two-dimensional materials are well characterized both experimentally and theoretically, properties of bilayer heterostructures are not nearly so well known. We employ high-accuracy linear-scaling density functional theory calculations utilizing nonlocal van der Waals functionals to explore the possible constructions of the MoS2/MoSe2 interface. Utilizing large supercells, we vary rotation, translation, and separation of the layers without introducing unrealistic strain. The energy landscape shows very low variations under rotation, with no strongly preferred alignments. By unfolding the spectral function into the primitive cells, we show that the monolayers are more independent than in homo-bilayers and that the electronic band structure of each layer is tunable through rotation, thus influencing hole effective masses.

  3. Design study of an S-band RF cavity of a dual-energy electron LINAC for the CIS

    NASA Astrophysics Data System (ADS)

    Lee, Byeong-No; Park, Hyungdal; Song, Ki-baek; Li, Yonggui; Lee, Byung Cheol; Cha, Sung-su; Lee, Jong-Chul; Shin, Seung-Wook; Chai, Jong-seo

    2014-01-01

    The design of a resonance frequency (RF) cavity for the dual-energy S-band electron linear accelerator (LINAC) has been carried out for the cargo inspection system (CIS). This Standing-wave-type RF cavity is operated at a frequency under the 2856-MHz resonance frequency and generates electron beams of 9 MeV (high mode) and 6 MeV (low mode). The electrons are accelerated from the initial energy of the electron gun to the target energy (9 or 6 MeV) inside the RF cavity by using the RF power transmitted from a 5.5-MW-class klystron. Then, electron beams with a 1-kW average power (both high mode and low mode) bombard an X-ray target a 2-mm spot size. The proposed accelerating gradient was 13 MV/m, and the designed Q value was about 7100. On going research on 15-MeV non-destructive inspections for military or other applications is presented.

  4. Effects of higher-order energy bands and temperature on the bosonic Mott insulator in a periodically modulated lattice

    NASA Astrophysics Data System (ADS)

    Sajna, A. S.

    2016-10-01

    We show that a certain class of higher-order excitations in ultracold atoms experiments can be described by straightforward extension of the standard strong coupling approach in the coherent state path integral formalism. It is achieved by theoretical analysis of energy absorption spectroscopy in the three-dimensional system of strongly correlated bosons described by the Bose-Hubbard model. In particular, for unit filling, an explicit form of the single-particle Mott insulator Green function at finite temperatures is derived which goes beyond the standard Hubbard bands description. Moreover, for relevant densities, we calculated the energy absorption rate and performed thermometry on rubidium atomic cloud gas by using previously obtained experimental data. Within the local density approximation, we explain that in such systems the nature of absorption spectrum depends significantly on local chemical potential: (a) the crossover region between lobes is characterized by different types of particle-hole excitations from neighboring Mott lobes and (b) origin of higher-order energy excitations changes from hole type to particle type for higher bosonic densities.

  5. Effect of energy band gap in graphene on negative refraction through the veselago lens and electron conductance

    NASA Astrophysics Data System (ADS)

    Dahal, Dipendra; Gumbs, Godfrey

    2017-01-01

    A remarkable property of intrinsic graphene is that upon doping, electrons and holes travel through the monolayer thick material with constant velocity which does not depend on energy up to about 0.3 eV (Dirac fermions), as though the electrons and holes are massless particles and antiparticles which move at the Fermi velocity vF. Consequently, there is Klein tunneling at a p-n junction, in which there is no backscattering at normal incidence of massless Dirac fermions. However, this process yielding perfect transmission at normal incidence is expected to be affected when the group velocity of the charge carriers is energy dependent and there is non-zero effective mass for the target particle. We investigate how away from normal incidence the combined effect of incident electron energy ɛ and band gap parameter Δ can determine whether a p-n junction would allow focusing of an electron beam by behaving like a Veselago lens with negative refractive index. We demonstrate that there is a specific region in ɛ - Δ space where the index of refraction is negative, i.e., where monolayer graphene behaves as a metamaterial. Outside this region, the refractive index may be positive or there may be no refraction at all. We compute the ballistic conductance across a p-n junction as a function of Δ and ɛ and compare our results with those for a single electrostatic potential barrier and multiple barriers.

  6. Edge-enhanced imaging obtained with very broad energy band x-rays

    SciTech Connect

    Taibi, A.; Cardarelli, P.; Di Domenico, G.; Marziani, M.; Gambaccini, M.; Hanashima, T.; Yamada, H.

    2010-04-05

    We demonstrate both theoretically and experimentally that edge-enhancement effects are produced when objects, in contact with the x-ray detector, are imaged by using very broad x-ray spectra. Radiographs of thin Al objects have been obtained with a table-top synchrotron source which generates x-rays in the energy range from a few kilo-electron-volts up to 6 MeV. Edge-enhancement effects arise from the combination of x-ray absorption (kilo-electron-volt part of the spectrum) and secondary particle emission (mega-electron-volt part of the spectrum) within the sample. The exact contribution of absorption and emission profiles in the edge-enhanced images has been calculated via Monte Carlo simulation.

  7. Absolutely continuous energy bands in the electronic spectrum of quasiperiodic ladder networks

    NASA Astrophysics Data System (ADS)

    Pal, Biplab; Chakrabarti, Arunava

    2014-06-01

    The energy spectra of quasi-one-dimensional quasiperiodic ladder networks are analyzed within a tight binding description. In particular, we show that if a selected set of sites in each strand of a ladder is tunnel-coupled to quantum dots attached from a side, absolutely continuous subbands can be generated in the spectrum if one tunes the dot potential and the dot-strand coupling appropriately. Typical cases with two and three strand Fibonacci ladders in the off-diagonal model are discussed in details. We also discuss the possibility of re-entrant insulator-metal transition for a general n-strand ladder network when n becomes large. The observations remain valid even in the case of a disordered ladder network with the same constituents. The results are analytically exact.

  8. Transition metal d -band occupancy in skutterudites studied by electron energy-loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Prytz, Ø.; Taftø, J.; Ahn, C. C.; Fultz, B.

    2007-03-01

    The transition-metal 3d occupancy of a series of thermoelectric skutterudites is investigated using electron energy-loss spectroscopy. We find that bonding causes an emptying of the 3d states in the binary skutterudites CoP3 , CoAs3 , CoSb3 , and NiP3 , while compared to the pure Fe the 3d occupancy in LaFe4P12 is significantly increased, consistent with the idea that each interstitial La atom (rattler) donates three electrons to compensate for missing valence electron of Fe as compared to Co. These experimental results are in agreement with previous models suggesting a predominantly covalent bonding between transition metal and pnictogen atoms in skutterudites, and provide evidence of charge transfer from La to the Fe-P complex in LaFe4P12 .

  9. A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

    SciTech Connect

    Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.

    2015-12-28

    The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known

  10. A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

    NASA Astrophysics Data System (ADS)

    Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; Olea, J.; González-Díaz, G.

    2015-12-01

    The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (1013 cm-2 and 1014 cm-2) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around Ec-425 and Ec-275 meV for implantation doses of 1013 cm-2 and 1014 cm-2, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, Ec and Ec-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known, the Meyer-Neldel rule typically appears in processes involving multiple excitations, like

  11. Data on energy-band-gap characteristics of composite nanoparticles obtained by modification of the amorphous potassium polytitanate in aqueous solutions of transition metal salts.

    PubMed

    Zimnyakov, D A; Sevrugin, A V; Yuvchenko, S A; Fedorov, F S; Tretyachenko, E V; Vikulova, M A; Kovaleva, D S; Krugova, E Y; Gorokhovsky, A V

    2016-06-01

    Here we present the data on the energy-band-gap characteristics of composite nanoparticles produced by modification of the amorphous potassium polytitanate in aqueous solutions of different transition metal salts. Band gap characteristics are investigated using diffuse reflection spectra of the obtained powders. Calculated logarithmic derivative quantity of the Kubelka-Munk function reveals a presence of local maxima in the regions 0.5-1.5 eV and 1.6-3.0 eV which correspond to band gap values of the investigated materials. The values might be related to the constituents of the composite nanoparticles and intermediate products of their chemical interaction.

  12. Excitation energies and spins of a superdeformed band in {sup 194}{ital H}{ital g} from one-step discrete decays to the yrast line

    SciTech Connect

    Khoo, T.L.; Carpenter, M.P.; Lauritsen, T.; Ackermann, D.; Ahmad, I.; Blumenthal, D.J.; Fischer, S.M.; Janssens, R.V.; Nisius, D.; Moore, E.F.; Lopez-Martens, A.; Do Kruecken, R.; Asztalos, S.J.; Becker, J.A.; Bernstein, L.; Clark, R.M.; Deleplanque, M.A.; Diamond, R.M.; Fallon, P.; Farris, L.P.; Hannachi, F.; Henry, E.A.; Korichi, A.; Lee, I.Y.; Macchiavelli, A.O.; Stephens, F.S. ||||||

    1996-03-01

    Discrete {gamma} rays directly connecting states of a superdeformed (SD) band in {sup 194}Hg to the yrast states have been discovered. Thus, the excitation energies and spins of all members of the lowest SD band are established for the first time, together with their likely parity. The SD band decays from its 10{sup +} and 12{sup +} states, which lie 4204.8 and 4407.4 keV above the normal-deformed yrast states of the same spins. {copyright} {ital 1996 The American Physical Society.}

  13. Addition of capsaicin and exchange of carbohydrate with protein counteract energy intake restriction effects on fullness and energy expenditure.

    PubMed

    Smeets, Astrid J; Janssens, Pilou L H R; Westerterp-Plantenga, Margriet S

    2013-04-01

    Energy intake restriction causes a yo-yo effect by decreasing energy expenditure (EE) and decreasing fullness. We investigated the 24-h effect of protein and capsaicin, singly or combined, on fullness and EE during 20% energy intake restriction. The 24 participants (12 male, 12 female; BMI, 25.2 ± 0.4 kg/m(2); age, 27 ± 4 y; body fat, 25.6 ± 5.7%; 3-factor eating questionnaire, F1: 6 ± 2, F2: 4 ± 2, F3: 3 ± 2) underwent eight 36-h sessions in a respiration chamber. The study had a randomized crossover design with 8 randomly sequenced conditions. The participants were fed 100 or 80% of their daily energy requirements. There were 2 control (C) conditions: 100%C and 80%C; 2 conditions with capsaicin (Caps): 100%Caps and 80%Caps; 2 conditions with elevated protein (P): 100%P and 80%P; and 2 conditions with a mixture of protein and capsaicin (PCaps): 100%PCaps and 80%PCaps. Appetite profile, EE, and substrate oxidation were monitored. Compared with 100%C, the 80%C group had expected negative energy-balance effects with respect to total EE, diet-induced thermogenesis, and fullness, whereas the 80%Caps diet counteracted these effects, and the 80%P and 80%PCaps diets exceeded these effects (P < 0.01). In energy balance and negative energy balance, fat balance was more negative in the 80%Caps, P, and PCaps groups than in the 80%C group (P < 0.05) and respiratory quotient values were lower. A negative protein balance was prevented with the 80%P and 80%PCaps diets compared with the 80%C diet. Our results suggest that protein and capsaicin, consumed singly or mixed, counteracted the energy intake restriction effects on fullness and EE. During energy restriction, protein and capsaicin promoted a negative fat balance and protein treatments also prevented a negative protein balance.

  14. Activation energy associated with the electromigration of oligosaccharides through viscosity modifier and polymeric additive containing background electrolytes.

    PubMed

    Kerékgyártó, Márta; Járvás, Gábor; Novák, Levente; Guttman, András

    2016-02-01

    The activation energy related to the electromigration of oligosaccharides can be determined from their measured electrophoretic mobilities at different temperatures. The effects of a viscosity modifier (ethylene glycol) and a polymeric additive (linear polyacrylamide) on the electrophoretic mobility of linear sugar oligomers with α1-4 linked glucose units (maltooligosaccharides) were studied in CE using the activation energy concept. The electrophoretic separations of 8-aminopyrene-1,3,6-trisulfonate-labeled maltooligosaccharides were monitored by LIF detection in the temperature range of 20-50°C, using either 0-60% ethylene glycol (viscosity modifier) or 0-3% linear polyacrylamide (polymeric additive) containing BGEs. Activation energy curves were constructed based on the slopes of the Arrhenius plots. With the use of linear polyacrylamide additive, solute size-dependent activation energy variations were found for the maltooligosaccharides with polymerization degrees below and above maltoheptaose (DP 7), probably due to molecular conformation changes and possible matrix interaction effects.

  15. Correlation-corrected energy bands of YBa{sub 2}Cu{sub 3}O{sub 7}: A mutually consistent treatment

    SciTech Connect

    Wechsler, D.; Ladik, J.

    1997-04-01

    The band structures and density of states (DOS) of important subunits (Cu-O planes and chains, both including apical oxygens) in YBa{sub 2}Cu{sub 3}O{sub 7} were computed. As a first step we employed an {ital ab initio} Hartree-Fock (HF) crystal-orbital method to both subunits in a mutually consistent way embedding them also in a partially self-consistent Madelung potential of the 3D crystal. Afterwards the bands were corrected for correlation by a Green{close_quote}s-function method in second order of the Mo/ller-Plesset many-body perturbation theory. The main purpose of these rather large-scale calculations was to obtain reliable unfilled energy bands to be used in subsequent exciton bands calculations. This will make it possible to look more thoroughly at the proposed excitonic (polarization) mechanism of high-T{sub c} superconductivity. A comparison with calculations based on a local-density-functional (LDF) approximation showed good agreement to our approach in the valence-band energy region above {minus}8 eV while the LDF results agree well with experimental photoelectron spectra. In contrast to the LDF methods, we detected between {minus}8 and {minus}12 eV flat Cu3d energy bands, which correspond to satellite structures observed by experiment. {copyright} {ital 1997} {ital The American Physical Society}

  16. Multiplex ligation-dependent probe amplification assay identifies additional copy number changes compared with R-band karyotype and provide more accuracy prognostic information in myelodysplastic syndromes

    PubMed Central

    Xu, Zefeng; Zhang, Yue; Liu, Jinqin; Li, Bing; Fang, Liwei; Zhang, Hongli; Pan, Lijuan; Hu, Naibo; Qu, Shiqiang; Cai, Wenyu; Ru, Kun; Jia, Yujiao; Huang, Gang; Xiao, Zhijian

    2017-01-01

    Cytogenetic analysis provides important diagnostic and prognostic information for patients with Myelodysplastic syndromes (MDS) and plays an essential role in the International Prognostic Scoring System (IPSS) and the revised International Prognostic Scoring System (IPSS-R). Multiplex ligation-dependent probe amplification (MLPA) assay is a recently developed technique to identify targeted cytogenetic aberrations in MDS patients. In the present study, we evaluated the results obtained using an MLPA assay in 437 patients with MDS to determine the efficacy of MLPA analysis. Using R-banding karyotyping, 45% (197/437) of MDS patients had chromosomal abnormalities, whereas MLPA analysis detected that 35% (153/437) of MDS cases contained at least one copy-number variations (CNVs) .2/5 individuals (40%) with R-band karyotype failures had trisomy 8 detected using only MLPA. Clonal cytogenetic abnormalities were detected in 20/235 (8.5%) MDS patients with a normal R-band karyotype, and 12/20 (60%) of those patients were reclassified into a higher-risk IPSS-R prognostic category. When sequencing and cytogenetics were combined, the fraction of patients with MDS-related oncogenic lesions increased to 87.3% (233/267 cases). MLPA analysis determined that the median OS of patients with a normal karyotype (n=218) was 65 months compared with 27 months in cases with an aberrant karyotype (P=0.002) in 240 patients with normal or failed karyotypes by R-banding karyotyping. The high-resolution MPLA assay is an efficient and reliable method that can be used in conjunction with R-band karyotyping to detect chromosomal abnormalities in patients with suspected MDS. MLPA may also provide more accurate prognostic information. PMID:27906673

  17. The influence of feed energy density and a formulated additive on rumen and rectal temperature in hanwoo steers.

    PubMed

    Cho, Sangbuem; Mbiriri, David Tinotenda; Shim, Kwanseob; Lee, A-Leum; Oh, Seong-Jin; Yang, Jinho; Ryu, Chaehwa; Kim, Young-Hoon; Seo, Kang-Seok; Chae, Jung-Il; Oh, Young Kyoon; Choi, Nag-Jin

    2014-11-01

    The present study investigated the optimum blending condition of protected fat, choline and yeast culture for lowering of rumen temperature. The Box Benken experimental design, a fractional factorial arrangement, and response surface methodology were employed. The optimum blending condition was determined using the rumen simulated in vitro fermentation. An additive formulated on the optimum condition contained 50% of protected fat, 25% of yeast culture, 5% of choline, 7% of organic zinc, 6.5% of cinnamon, and 6.5% of stevioside. The feed additive was supplemented at a rate of 0.1% of diet (orchard grass:concentrate, 3:7) and compared with a control which had no additive. The treatment resulted in lower volatile fatty acid (VFA) concentration and biogas than the control. To investigate the effect of the optimized additive and feed energy levels on rumen and rectal temperatures, four rumen cannulated Hanwoo (Korean native beef breed) steers were in a 4×4 Latin square design. Energy levels were varied to low and high by altering the ratio of forage to concentrate in diet: low energy (6:4) and high energy (4:6). The additive was added at a rate of 0.1% of the diet. The following parameters were measured; feed intake, rumen and rectal temperatures, ruminal pH and VFA concentration. This study was conducted in an environmentally controlled house with temperature set at 30°C and relative humidity levels of 70%. Steers were housed individually in raised crates to facilitate collection of urine and feces. The adaptation period was for 14 days, 2 days for sampling and 7 days for resting the animals. The additive significantly reduced both rumen (p<0.01) and rectal temperatures (p<0.001) without depressed feed intake. There were interactions (p<0.01) between energy level and additive on ruminal temperature. Neither additive nor energy level had an effect on total VFA concentration. The additive however, significantly increased (p<0.01) propionate and subsequently had lower

  18. The Influence of Feed Energy Density and a Formulated Additive on Rumen and Rectal Temperature in Hanwoo Steers

    PubMed Central

    Cho, Sangbuem; Mbiriri, David Tinotenda; Shim, Kwanseob; Lee, A-Leum; Oh, Seong-Jin; Yang, Jinho; Ryu, Chaehwa; Kim, Young-Hoon; Seo, Kang-Seok; Chae, Jung-Il; Oh, Young Kyoon; Choi, Nag-Jin

    2014-01-01

    The present study investigated the optimum blending condition of protected fat, choline and yeast culture for lowering of rumen temperature. The Box Benken experimental design, a fractional factorial arrangement, and response surface methodology were employed. The optimum blending condition was determined using the rumen simulated in vitro fermentation. An additive formulated on the optimum condition contained 50% of protected fat, 25% of yeast culture, 5% of choline, 7% of organic zinc, 6.5% of cinnamon, and 6.5% of stevioside. The feed additive was supplemented at a rate of 0.1% of diet (orchard grass:concentrate, 3:7) and compared with a control which had no additive. The treatment resulted in lower volatile fatty acid (VFA) concentration and biogas than the control. To investigate the effect of the optimized additive and feed energy levels on rumen and rectal temperatures, four rumen cannulated Hanwoo (Korean native beef breed) steers were in a 4×4 Latin square design. Energy levels were varied to low and high by altering the ratio of forage to concentrate in diet: low energy (6:4) and high energy (4:6). The additive was added at a rate of 0.1% of the diet. The following parameters were measured; feed intake, rumen and rectal temperatures, ruminal pH and VFA concentration. This study was conducted in an environmentally controlled house with temperature set at 30°C and relative humidity levels of 70%. Steers were housed individually in raised crates to facilitate collection of urine and feces. The adaptation period was for 14 days, 2 days for sampling and 7 days for resting the animals. The additive significantly reduced both rumen (p<0.01) and rectal temperatures (p<0.001) without depressed feed intake. There were interactions (p<0.01) between energy level and additive on ruminal temperature. Neither additive nor energy level had an effect on total VFA concentration. The additive however, significantly increased (p<0.01) propionate and subsequently had lower

  19. Additional energy scale in SmB6 at low-temperature

    NASA Astrophysics Data System (ADS)

    Jiao, L.; Rößler, S.; Kim, D. J.; Tjeng, L. H.; Fisk, Z.; Steglich, F.; Wirth, S.

    2016-12-01

    Topological insulators give rise to exquisite electronic properties because of their spin-momentum locked Dirac-cone-like band structure. Recently, it has been suggested that the required opposite parities between valence and conduction band along with strong spin-orbit coupling can be realized in correlated materials. Particularly, SmB6 has been proposed as candidate material for a topological Kondo insulator. Here we observe, by utilizing scanning tunnelling microscopy and spectroscopy down to 0.35 K, several states within the hybridization gap of about +/-20 meV on well characterized (001) surfaces of SmB6. The spectroscopic response to impurities and magnetic fields allows to distinguish between dominating bulk and surface contributions to these states. The surface contributions develop particularly strongly below about 7 K, which can be understood in terms of a suppressed Kondo effect at the surface. Our high-resolution data provide insight into the electronic structure of SmB6, which reconciles many current discrepancies on this compound.

  20. Additional energy scale in SmB6 at low-temperature

    PubMed Central

    Jiao, L.; Rößler, S.; Kim, D. J.; Tjeng, L. H.; Fisk, Z.; Steglich, F.; Wirth, S.

    2016-01-01

    Topological insulators give rise to exquisite electronic properties because of their spin-momentum locked Dirac-cone-like band structure. Recently, it has been suggested that the required opposite parities between valence and conduction band along with strong spin-orbit coupling can be realized in correlated materials. Particularly, SmB6 has been proposed as candidate material for a topological Kondo insulator. Here we observe, by utilizing scanning tunnelling microscopy and spectroscopy down to 0.35 K, several states within the hybridization gap of about ±20 meV on well characterized (001) surfaces of SmB6. The spectroscopic response to impurities and magnetic fields allows to distinguish between dominating bulk and surface contributions to these states. The surface contributions develop particularly strongly below about 7 K, which can be understood in terms of a suppressed Kondo effect at the surface. Our high-resolution data provide insight into the electronic structure of SmB6, which reconciles many current discrepancies on this compound. PMID:27941948

  1. SIMULATION OF A WIDE-BAND LOW-ENERGY NEUTRINO BEAM FOR VERY LONG BASELINE NEUTRINO OSCILLATION EXPERIMENTS.

    SciTech Connect

    BISHAI, M.; HEIM, J.; LEWIS, C.; MARINO, A.D.; VIREN, B.; YUMICEVA, F.

    2006-08-01

    We present simulations of a wide-band low-energy neutrino beam for a future very long baseline neutrino oscillation (VLBNO) program using the proton beam from the Main Injector (MI) proton accelerator at Fermi National Accelerator Laboratory (Fermilab). The target and horn designs previously developed for Brookhaven Laboratory's Alternating Gradient Synchrotron (AGS) VLBNO program are used without modifications. The neutrino flux distributions for various MI proton beam energies and new high-intensity neutrino beam-line designs possible at Fermilab are presented. The beam-line siting and design parameters are chosen to match the requirements of an on-axis beam from Fermilab to one of the two possible sites for the future Deep Underground Science and Engineering Laboratory (DUSEL). A preliminary estimate of the observable event rates and spectra at a detector located in DUSEL for different beam configurations has been performed. Our preliminary conclusions are that a 40-60 GeV 0.5 to 1 MW beam from the Fermilab Main Injector to a DUSEL site has the potential to reach the desired intensity for the next generation of neutrino oscillation experiments. Recent studies indicate that the Fermilab MI can reach a beam power of 0.5 MW at 60 GeV with incremental upgrades to the existing accelerator complex.

  2. k.P energy-band structure of ZnO/Zn 1- xMg xO quantum well heterostructures

    NASA Astrophysics Data System (ADS)

    Zitouni, K.; Kadri, A.; Lefebvre, P.; Gil, B.

    2006-01-01

    We present a k.P theoretical study of the energy band properties of würtzite ZnO/Zn 1- xMg xO Quantum Well Heterostructures (QWH) as a function of the alloy composition x in the range x<0.4, and for various well widths. For this purpose, we use a Luttinger-type effective mass model, the 6×6 Rashba-Sheka-Pikus model, to describe the valence bands of these QWH. By using the k.P parameters available in the literature, we have first computed the energy band-structure dispersion of bulk ZnO and we have found good agreement with previous k.P, as well as, ASA-LMPTO results. Then we have computed the valence band dispersion and confinement energies in the range of interest x<0.40 and for various well widths LZ. Good agreement is found with the available pump-probe PL results, for the peak energies of linear absorption for various QWH are closely fitted by using a band-offset ΔEC/ΔEV=9/1.

  3. Chromosome Aberrations in Human Epithelial Cells Exposed Los Alamos High-Energy Secondary Neutrons: M-BAND Analysis

    NASA Technical Reports Server (NTRS)

    Hada, M.; Saganti, P. B.; Gersey, B.; Wilkins, R.; Cucinotta, F. A.; Wu, H.

    2007-01-01

    High-energy secondary neutrons, produced by the interaction of galactic cosmic rays (GCR) with the atmosphere, spacecraft structure and planetary surfaces, contribute a significant fraction to the dose equivalent radiation measurement in crew members and passengers of commercial aviation travel as well as astronauts in space missions. The Los Alamos Nuclear Science Center (LANSCE) neutron facility's 30L beam line (4FP30L-A/ICE House) is known to generate neutrons that simulate the secondary neutron spectrum of the Earth's atmosphere at high altitude. The neutron spectrum is also similar to that measured onboard spacecrafts like the MIR and the International Space Station (ISS). To evaluate the biological damage, we exposed human epithelial cells in vitro to the LANSCE neutron beams with an entrance dose rate of 2.5 cGy/hr, and studied the induction of chromosome aberrations that were identified with multicolor-banding in situ hybridization (mBAND) technique. With this technique, individually painted chromosomal bands on one chromosome allowed the identification of inter-chromosomal aberrations (translocation to unpainted chromosomes) and intra-chromosomal aberrations (inversions and deletions within a single painted chromosome). Compared to our previous results with gamma-rays and 600 MeV/nucleon Fe ions of high dose rate at NSRL (NASA Space Radiation Laboratory at Brookhaven National Laboratory), the neutron data from the LANSCE experiments showed significantly higher frequency of chromosome aberrations. However, detailed analysis of the inversion type revealed that all of the three radiation types in the study induced a low incidence of simple inversions. Most of the inversions in gamma-ray irradiated samples were accompanied by other types of intrachromosomal aberrations but few inversions were accompanied by interchromosomal aberrations. In contrast, neutrons and Fe ions induced a significant fraction of inversions that involved complex rearrangements of both

  4. Biofuels from pyrolysis in perspective: trade-offs between energy yields and soil-carbon additions.

    PubMed

    Woolf, Dominic; Lehmann, Johannes; Fisher, Elizabeth M; Angenent, Largus T

    2014-06-03

    Coproduction of biofuels with biochar (the carbon-rich solid formed during biomass pyrolysis) can provide carbon-negative bioenergy if the biochar is sequestered in soil, where it can improve fertility and thus simultaneously address issues of food security, soil degradation, energy production, and climate change. However, increasing biochar production entails a reduction in bioenergy obtainable per unit biomass feedstock. Quantification of this trade-off for specific biochar-biofuel pathways has been hampered by lack of an accurate-yet-simple model for predicting yields, product compositions, and energy balances from biomass slow pyrolysis. An empirical model of biomass slow pyrolysis was developed and applied to several pathways for biochar coproduction with gaseous and liquid biofuels. Here, we show that biochar production reduces liquid biofuel yield by at least 21 GJ Mg(-1) C (biofuel energy sacrificed per unit mass of biochar C), with methanol synthesis giving this lowest energy penalty. For gaseous-biofuel production, the minimum energy penalty for biochar production is 33 GJ Mg(-1) C. These substitution rates correspond to a wide range of Pareto-optimal system configurations, implying considerable latitude to choose pyrolysis conditions to optimize for desired biochar properties or to modulate energy versus biochar yields in response to fluctuating price differentials for the two commodities.

  5. Electron mean free path and conduction-band density-of-states in solid methane as determined from low-energy electron transmission experiments

    NASA Astrophysics Data System (ADS)

    Jay-Gerin, J.-P.; Plenkiewicz, B.; Plenkiewicz, P.; Perluzzo, G.; Sanche, L.

    1985-09-01

    Recently, Plenkiewicz et al. developed a theoretical model for analyzing the current I t transmitted by a thin dielectric film as a function of incident electron energy E. The purpose of this paper is to apply this model to the analysis of recent I t( E) results for solid methane. The analysis permits the determination of both the electron mean free path as a function of energy and the electronic conduction-band density-of-states in the quasi-elastic scattering region. The differences between our results and Kunz's solid methane band structure calculations are also discussed.

  6. Highly enhanced energy conversion from the streaming current by polymer addition.

    PubMed

    Nguyen, Trieu; Xie, Yanbo; de Vreede, Lennart J; van den Berg, Albert; Eijkel, Jan C T

    2013-08-21

    In this contribution, we present for the first time the experimental results of energy conversion from the streaming current when a polymer is added to the working solution. We added polyacrylic acid (PAA) in concentrations of 200 ppm to 4000 ppm to a KCl solution. By introducing PAA, the input power, which is the product of volumetric flow rate and the applied pressure, reduced rapidly as compared to the case of using only a normal viscous electrolyte KCl solution. The output power at the same time remained largely constant, whereby an increase of the streaming current and a decrease of the streaming potential simultaneously occurred. These combined factors led to the massive increase of the energy conversion efficiency. Particularly, the results showed that when PAA was in a 0.01 mM KCl solution, the energy conversion efficiency of the system was enhanced by a factor of 447 (±2%), as compared to the case of the solution containing only 0.01 mM KCl. An enhancement factor of 249 (±4%) was also observed when PAA was added to the higher ionic strength background solution, 1 mM KCl. This finding can have practical use in microchannel-array energy conversion systems. When, instead of the negatively charged PAA, a non-ionic polymer polyethylene oxide (PEO) was added to the solution, no efficiency increase was observed, probably due to polymer wall adsorption.

  7. Energy-Dispersive X-Ray Fluorescence Spectrometry: A Long Overdue Addition to the Chemistry Curriculum

    ERIC Educational Resources Information Center

    Palmer, Peter T.

    2011-01-01

    Portable Energy-Dispersive X-Ray Fluorescence (XRF) analyzers have undergone significant improvements over the past decade. Salient advantages of XRF for elemental analysis include minimal sample preparation, multielement analysis capabilities, detection limits in the low parts per million (ppm) range, and analysis times on the order of 1 min.…

  8. Additive effects on the energy barrier for synaptic vesicle fusion cause supralinear effects on the vesicle fusion rate.

    PubMed

    Schotten, Sebastiaan; Meijer, Marieke; Walter, Alexander Matthias; Huson, Vincent; Mamer, Lauren; Kalogreades, Lawrence; ter Veer, Mirelle; Ruiter, Marvin; Brose, Nils; Rosenmund, Christian; Sørensen, Jakob Balslev; Verhage, Matthijs; Cornelisse, Lennart Niels

    2015-04-14

    The energy required to fuse synaptic vesicles with the plasma membrane ('activation energy') is considered a major determinant in synaptic efficacy. From reaction rate theory, we predict that a class of modulations exists, which utilize linear modulation of the energy barrier for fusion to achieve supralinear effects on the fusion rate. To test this prediction experimentally, we developed a method to assess the number of releasable vesicles, rate constants for vesicle priming, unpriming, and fusion, and the activation energy for fusion by fitting a vesicle state model to synaptic responses induced by hypertonic solutions. We show that complexinI/II deficiency or phorbol ester stimulation indeed affects responses to hypertonic solution in a supralinear manner. An additive vs multiplicative relationship between activation energy and fusion rate provides a novel explanation for previously observed non-linear effects of genetic/pharmacological perturbations on synaptic transmission and a novel interpretation of the cooperative nature of Ca(2+)-dependent release.

  9. Additivity of kinetic and potential energy contributions in modification of graphene supported on SiO2

    NASA Astrophysics Data System (ADS)

    Zhang, Xitong; Zhao, Shijun; Wang, Yuyu; Xue, Jianming

    2017-04-01

    The damage production induced by MeV highly charged ions (HCI) irradiations in graphene supported on a SiO2 substrate is investigated using molecular dynamics method. We get results in agreement with our recent experiments. We find that the electronic energy loss and potential energy deposition have similar effects on the defects creation in SiO2 substrate-supported graphene and both mechanisms of energy deposition seem to contribute in an additive way. The influences of the energy deposition depth and radius are studied. Only the energy deposited below the surface within 2.5 nm will induce the damage in graphene. Hence, the HCI can be a powerful tool to induce defects in graphene without causing deep damage of the substrate. When charge of incident Xeq+ is above 30, a nanopore is formed and the size of nanopore in graphene can be controlled by changing the incident charge state.

  10. Tuning Ferritin's Band Gap through Mixed Metal Oxide Nanoparticle Formation.

    PubMed

    Olsen, Cameron; Embley, Jacob; Hansen, Kameron; Henrichsen, Andrew; Peterson, J; Colton, John S; Watt, Richard

    2017-03-23

    This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with MnO4- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin's potential in solar-energy harvesting. Additionally, the success of using MnO4- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.

  11. Energy budgeting and carbon footprint of transgenic cotton-wheat production system through peanut intercropping and FYM addition.

    PubMed

    Singh, Raman Jeet; Ahlawat, I P S

    2015-05-01

    Two of the most pressing sustainability issues are the depletion of fossil energy resources and the emission of atmospheric green house gases like carbon dioxide to the atmosphere. The aim of this study was to assess energy budgeting and carbon footprint in transgenic cotton-wheat cropping system through peanut intercropping with using 25-50% substitution of recommended dose of nitrogen (RDN) of cotton through farmyard manure (FYM) along with 100% RDN through urea and control (0 N). To quantify the residual effects of previous crops and their fertility levels, a succeeding crop of wheat was grown with varying rates of nitrogen, viz. 0, 50, 100, and 150 kg ha(-1). Cotton + peanut-wheat cropping system recorded 21% higher system productivity which ultimately helped to maintain higher net energy return (22%), energy use efficiency (12%), human energy profitability (3%), energy productivity (7%), carbon outputs (20%), carbon efficiency (17%), and 11% lower carbon footprint over sole cotton-wheat cropping system. Peanut addition in cotton-wheat system increased the share of renewable energy inputs from 18 to 21%. With substitution of 25% RDN of cotton through FYM, share of renewable energy resources increased in the range of 21% which resulted into higher system productivity (4%), net energy return (5%), energy ratio (6%), human energy profitability (74%), energy productivity (6%), energy profitability (5%), and 5% lower carbon footprint over no substitution. The highest carbon footprint (0.201) was recorded under control followed by 50 % substitution of RDN through FYM (0.189). With each successive increase in N dose up to 150 kg N ha(-1) to wheat, energy productivity significantly reduced and share of renewable energy inputs decreased from 25 to 13%. Application of 100 kg N ha(-1) to wheat maintained the highest grain yield (3.71 t ha(-1)), net energy return (105,516 MJ ha(-1)), and human energy profitability (223.4) over other N doses applied to wheat

  12. Twenty-Eight Orders of Parametric Resonance in a Microelectromechanical Device for Multi-band Vibration Energy Harvesting

    PubMed Central

    Jia, Yu; Du, Sijun; Seshia, Ashwin A.

    2016-01-01

    This paper contends to be the first to report the experimental observation of up to 28 orders of parametric resonance, which has thus far only been envisioned in the theoretical realm. While theory has long predicted the onset of n orders of parametric resonance, previously reported experimental observations have been limited up to about the first 5 orders. This is due to the rapid narrowing nature of the frequency bandwidth of the higher instability intervals, making practical accessibility increasingly more difficult. Here, the authors have experimentally confirmed up to 28 orders of parametric resonance in a micromachined membrane resonator when electrically undamped. While the implication of this finding spans across the vibration dynamics and transducer application spectrum, the particular significance of this work is to broaden the accumulative operational frequency bandwidth of vibration energy harvesting for enabling self-powered microsystems. Up to 5 orders were recorded when driven at 1.0 g of acceleration across a matched load of 70 kΩ. With a natural frequency of 980 Hz, the fundamental mode direct resonance had a −3 dB bandwidth of 55 Hz, in contrast to the 314 Hz for the first order parametric resonance; furthermore, the half power bands of all 5 orders accumulated to 478 Hz. PMID:27445205

  13. Empirical determination of the energy band gap narrowing in p{sup +} silicon heavily doped with boron

    SciTech Connect

    Yan, Di Cuevas, Andres

    2014-11-21

    In the analysis of highly doped silicon, energy band gap narrowing (BGN) and degeneracy effects may be accounted for separately, as a net BGN in conjunction with Fermi-Dirac statistics, or lumped together in an apparent BGN used with Boltzmann statistics. This paper presents an experimental study of silicon highly doped with boron, with the aim of evaluating the applicability of previously reported BGN models. Different boron diffusions covering a broad range of dopant densities were prepared, and their characteristic recombination current parameters J{sub 0} were measured using a contactless photoconductance technique. The BGN was subsequently extracted by matching theoretical simulations of carrier transport and recombination in each of the boron diffused regions and the measured J{sub 0} values. An evaluation of two different minority carrier mobility models indicates that their impact on the extraction of the BGN is relatively small. After considering possible uncertainties, it can be concluded that the BGN is slightly larger in p{sup +} silicon than in n{sup +} silicon, in qualitative agreement with theoretical predictions by Schenk. Nevertheless, in quantitative terms that theoretical model is found to slightly underestimate the BGN in p{sup +} silicon. With the two different parameterizations derived in this paper for the BGN in p{sup +} silicon, both statistical approaches, Boltzmann and Fermi-Dirac, provide a good agreement with the experimental data.

  14. Synthesis and energy band characterization of hybrid molecular materials based on organic–polyoxometalate charge-transfer salts

    SciTech Connect

    Tan, Chunxia; Bu, Weifeng

    2014-11-15

    A cationic amphiphilic molecule was synthesized and employed to encapsulate Lindqvist ([M{sub 6}O{sub 19}]{sup 2−}) and Keggin polyoxometalates ([SiM{sub 12}O{sub 40}]{sup 4−}, M=Mo, W) to form hybrid molecules through electrostatic interaction. The X-ray diffraction results illustrate that the former hybrids possess lamellar nanostructures in their solid states, while the latter hybrids show a cubic Im3m packing model with low intensities and poor long-range order. These hybrids have clear charge-transfer characters as shown in their deeper colors and UV–vis diffuse reflectance spectra. According to the reported reduction potentials of the POM acceptors and the band gaps deduced from their diffuse reflectance spectra, we have calculated the theoretical values of the lowest unoccupied molecular orbital (LUMO) position similar to the electron affinity (E{sub A}) of solid materials. Such energy level parameters are comparable to those of electroluminescence and electron-transport materials commonly used in organic electroluminescence devices. These organic–polyoxometalate charge-transfer salts have more advantages, such as higher decomposition temperatures, easier film fabrication and better electron affinities, which presumably would be used for electron-transport materials in the area of the electroluminescence. - Graphical abstract: Hybrid molecular materials with charge-transfer characters formed by a positively charged donor L and acceptors of the Lindqvist-type and Keggin-type POMs have lamellar and cubic structures in their solid state. - Highlights: • Charge-transfer salts are obtained by self-assembling POMs with an anthracene cation. • Their energy parameters are comparable to those of optoelectronic materials in OLEDs. • These POM-based hybrids could be applied in the area of optoelectronic devices.

  15. Coupling between fluid dynamics and energy addition in arcjet and microwave thrusters

    NASA Technical Reports Server (NTRS)

    Micci, M. M.

    1986-01-01

    A new approach to numerically solving the problem of the constricted electric arcjet is presented. An Euler Implicit finite difference scheme is used to solve the full compressible Navier Stokes equations in two dimensions. The boundary and initial conditions represent the constrictor section of the arcjet, and hydrogen is used as a propellant. The arc is modeled as a Gaussian distribution across the centerline of the constrictor. Temperature, pressure and velocity profiles for steady state converged solutions show both axial and radial changes in distributions resulting from their interaction with the arc energy source for specific input conditions. The temperature rise is largest at the centerline where there is a the greatest concentration arc energy. The solution does not converge for all initial inputs and the limitations in the range of obtainable solutions are discussed.

  16. Feasibility and testing of lighweight, energy efficient, additive manufactured pneumatic control valve

    SciTech Connect

    Love, Lonnie J.; Mell, Ellen

    2015-02-01

    AeroValve s innovative pneumatic valve technology recycles compressed air through the valve body with each cycle of the valve, and was reported to reduce compressed air requirements by an average of 25% 30%.This technology collaboration project between ORNL and Aerovalve confirms the energy efficiency of valve performance. Measuring air consumption per work completed, the AeroValve was as much as 85% better than the commercial Festo valve.

  17. Calculation of the Energy-Band Structure of the Kronig-Penney Model Using the Nearly-Free and Tightly-Bound-Electron Approximations

    ERIC Educational Resources Information Center

    Wetsel, Grover C., Jr.

    1978-01-01

    Calculates the energy-band structure of noninteracting electrons in a one-dimensional crystal using exact and approximate methods for a rectangular-well atomic potential. A comparison of the two solutions as a function of potential-well depth and ratio of lattice spacing to well width is presented. (Author/GA)

  18. Electroabsorption Spectroscopy Measurements of the Exciton Binding Energy, ElectronHole Reduced Effective Mass, and Band Gap in the Perovskite CHsub3NHsub3PbIsub3

    DTIC Science & Technology

    2016-07-28

    evidence that the primary photoexcitations (as opposed to recombination mechanisms ) can be described in terms of free carrier generation as transitions to a...Electroabsorption Spectroscopy Measurements of the Exciton Binding Energy , Electron−Hole Reduced Effective Mass, and Band Gap in the Perovskite...98195-1700, United States *S Supporting Information ABSTRACT: We use electroabsorption (EA) spectroscopy to measure the exciton binding energy (EB

  19. Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-Indinavir case

    NASA Astrophysics Data System (ADS)

    Ucisik, Melek N.; Dashti, Danial S.; Faver, John C.; Merz, Kenneth M.

    2011-08-01

    An energy expansion (binding energy decomposition into n-body interaction terms for n ≥ 2) to express the receptor-ligand binding energy for the fragmented HIV II protease-Indinavir system is described to address the role of cooperativity in ligand binding. The outcome of this energy expansion is compared to the total receptor-ligand binding energy at the Hartree-Fock, density functional theory, and semiempirical levels of theory. We find that the sum of the pairwise interaction energies approximates the total binding energy to ˜82% for HF and to >95% for both the M06-L density functional and PM6-DH2 semiempirical method. The contribution of the three-body interactions amounts to 18.7%, 3.8%, and 1.4% for HF, M06-L, and PM6-DH2, respectively. We find that the expansion can be safely truncated after n = 3. That is, the contribution of the interactions involving more than three parties to the total binding energy of Indinavir to the HIV II protease receptor is negligible. Overall, we find that the two-body terms represent a good approximation to the total binding energy of the system, which points to pairwise additivity in the present case. This basic principle of pairwise additivity is utilized in fragment-based drug design approaches and our results support its continued use. The present results can also aid in the validation of non-bonded terms contained within common force fields and in the correction of systematic errors in physics-based score functions.

  20. Yield Improvement and Energy Savings Uing Phosphonates as Additives in Kraft pulping

    SciTech Connect

    Ulrike W. Tschirner; Timothy Smith

    2007-03-31

    Project Objective: Develop a commercially viable modification to the Kraft process resulting in energy savings, increased yield and improved bleachability. Evaluate the feasibility of this technology across a spectrum of wood species used in North America. Develop detailed fundamental understanding of the mechanism by which phosphonates improve KAPPA number and yield. Evaluate the North American market potential for the use of phosphonates in the Kraft pulping process. Examine determinants of customer perceived value and explore organizational and operational factors influencing attitudes and behaviors. Provide an economic feasibility assessment for the supply chain, both suppliers (chemical supply companies) and buyers (Kraft mills). Provide background to most effectively transfer this new technology to commercial mills.

  1. Study on the energy band structure and photoelectrochemical performances of spinel Li{sub 4}Ti{sub 5}O{sub 12}

    SciTech Connect

    Ge, Hao; Tian, Hui; Song, Hua; Liu, Daliang; Wu, Shuyao; Shi, Xicheng; Gao, Xiaoqiang; Lv, Li; Song, Xi-Ming

    2015-01-15

    Highlights: • Spinel Li{sub 4}Ti{sub 5}O{sub 12} possesses more positive potential of valence band and wider band gap than TiO{sub 2}. • Spinel Li{sub 4}Ti{sub 5}O{sub 12} displays typical n-type semiconductor characteristic and excellent UV-excitateded photocatalysis activity. • Our preliminary study will open new perspectives in investigation of other lithium-based compounds for new photocatalysts. - Abstract: Energy band structure, photoelectrochemical performances and photocatalysis activity of spinel Li{sub 4}Ti{sub 5}O{sub 12} are investigated for the first time in this paper. Li{sub 4}Ti{sub 5}O{sub 12} possesses more positive valence band potential and wider band gap than TiO{sub 2} due to its valence band consisting of Li{sub 1s} and Ti{sub 3d} orbitals mixed with O{sub 2p}. Li{sub 4}Ti{sub 5}O{sub 12} shows typical photocatalysis material characteristics and excellent photocatlytic activity under UV irradiation.

  2. Measurement of InAsSb bandgap energy and InAs/InAsSb band edge positions using spectroscopic ellipsometry and photoluminescence spectroscopy

    SciTech Connect

    Webster, P. T.; Riordan, N. A.; Liu, S.; Zhang, Y.-H.; Johnson, S. R.; Steenbergen, E. H.

    2015-12-28

    The structural and optical properties of lattice-matched InAs{sub 0.911}Sb{sub 0.089} bulk layers and strain-balanced InAs/InAs{sub 1−x}Sb{sub x} (x ∼ 0.1–0.4) superlattices grown on (100)-oriented GaSb substrates by molecular beam epitaxy are examined using X-ray diffraction, spectroscopic ellipsometry, and temperature dependent photoluminescence spectroscopy. The photoluminescence and ellipsometry measurements determine the ground state bandgap energy and the X-ray diffraction measurements determine the layer thickness and mole fraction of the structures studied. Detailed modeling of the X-ray diffraction data is employed to quantify unintentional incorporation of approximately 1% Sb into the InAs layers of the superlattices. A Kronig-Penney model of the superlattice miniband structure is used to analyze the valence band offset between InAs and InAsSb, and hence the InAsSb band edge positions at each mole fraction. The resulting composition dependence of the bandgap energy and band edge positions of InAsSb are described using the bandgap bowing model; the respective low and room temperature bowing parameters for bulk InAsSb are 938 and 750 meV for the bandgap, 558 and 383 meV for the conduction band, and −380 and −367 meV for the valence band.

  3. Engineering evaluation of the proposed boiler addition for Minnegasco Energy Center, Minneapolis, Minnesota. Final draft report

    SciTech Connect

    Abendroth, H.R.; Poon, A.

    1981-03-16

    The results are reported of a technical evaluation of alternate fuels for the proposed oil and natural gas fired No. 3 boiler at the Minnegasco Energy Center (MEC) located in Minneapolis, Minnesota. This report has been prepared for the Department of Energy, Office of Fuels Conversion for their use in considering an alternate fuel exemption petition submitted by MEC. The fuels considered for the proposed boiler include oil, natural gas, bituminous coal, petroleum coke/coal mixture, refuse-derived fuel (RDF), coal-oil mixtures, and coal/oil dual fuel fired. The purchase of steam from the Northern States Power Company (NSPCo) was also considered as an alternative to construction of another boiler at MEC. Evaluation of each fuel included review of the overall plant design, estimates of capital and O and M costs, salvage value, useful life, and quantities of solid waste produced. The MEC supplies steam and chilled water to the downtown Minneapolis area for building heating and cooling using two presently owned and operated 200,000 lb/h oil/natural gas fired boilers. If the proposed boiler is permitted to burn oil and natural gas, it will be identical in design to the existing boilers. The evaluation showed that the use of oil, natural gas, coal, petroleum coke-coal mixtures, coal-oil mixtures, and coal/oil dual fuel firing appear technically feasible as fuel choices for the proposed boiler. The purchase of steam from the NSPCo appears feasible as an alternative to the installation of a new boiler at the MEC. Offsite storage space would be required for receiving and storing coal, petroleum coke, or RDF Offsite fuel preparation facilities are required for preparing petroleum coke-coal mixtures and RDF.

  4. Effect of MnO2 doping and temperature treatment on optical energy band gap properties in Zn-Bi-Ti-O varistor ceramics

    NASA Astrophysics Data System (ADS)

    Ghazali, M. S. M.; Abdullah, W. R. W.; Zakaria, A.; Kamari, H. M.; Rizwan, Z.

    2016-11-01

    In this study, the optical band-gap energy (Eg) was investigated with respect to MnO2 and sintering temperatures on ZnO based varistor ceramics. Eg of the ceramic (99-x) mol% ZnO + 0.5 mol% Bi2O3 + 0.5 mol% TiO2 + × MnO2 where × = 0, 0.2, 0.4, 0.6 and 0.8 mol%, were determined using UV-Vis spectrophotometer. The samples was prepared through solid-state route and sintered at the sintering temperature from 1110, 1140 and 1170 °C for 45 and 90 min in open air. At no doping of MnO2, the values of Eg are 2.991 ± 0.001, 2.989 ± 0.001 eV for 45 and 90 min sintering time; respectively. Eg was decreased to 2.192 ± 0.001 eV at 1140 °C at 45 min sintering time. Similar result of Eg was observed at longer heat treatment. Further addition of dopant causing the Eg decreases rapidly to 2.099 and 2.106 ± 0.001 eV at 45 and 90 min sintering time; respectively. XRD analysis indicates that there is hexagonal ZnO and secondary phases, Zn2MnO4, Bi4Ti3O12 and Zn2Ti3O8. The relative density of the sintered ceramics decreased or remain constant with the increase of MnO2 concentration for 45 min sintering time, however, further prolong sintering time; the relative density decreases form 90.25 to 88.35%. This indicates the pores are increasing with the increase of heat treatment. The variation of sintering temperatures to the optical band gap energy of based ZnO varistor doped with MnO2 due to the formation of interface states.

  5. A shock-tube determination of the CN ground state dissociation energy and electronic transition moments for the CN violet and red band systems

    NASA Technical Reports Server (NTRS)

    Arnold, J. O.; Nicholls, R. W.

    1973-01-01

    The CN ground state dissociation energy and the sum of squares of the electronic transition moments of the CN violet bands have been simultaneously determined from spectral emission measurements behind incident shock waves. The unshocked test gases were composed of various CO2-CO-N2-Ar mixtures, and the temperatures behind the incident shocks ranged from 3500 to 8000 K. The variation of the electronic transition moment with internuclear separation was found to be small for both the CN violet and red band systems.

  6. Enhancing Specific Energy and Power in Asymmetric Supercapacitors - A Synergetic Strategy based on the Use of Redox Additive Electrolytes

    PubMed Central

    Singh, Arvinder; Chandra, Amreesh

    2016-01-01

    The strategy of using redox additive electrolyte in combination with multiwall carbon nanotubes/metal oxide composites leads to a substantial improvements in the specific energy and power of asymmetric supercapacitors (ASCs). When the pure electrolyte is optimally modified with a redox additive viz., KI, ~105% increase in the specific energy is obtained with good cyclic stability over 3,000 charge-discharge cycles and ~14.7% capacitance fade. This increase is a direct consequence of the iodine/iodide redox pairs that strongly modifies the faradaic and non-faradaic type reactions occurring on the surface of the electrodes. Contrary to what is shown in few earlier reports, it is established that indiscriminate increase in the concentration of redox additives will leads to performance loss. Suitable explanations are given based on theoretical laws. The specific energy or power values being reported in the fabricated ASCs are comparable or higher than those reported in ASCs based on toxic acetonitrile or expensive ionic liquids. The paper shows that the use of redox additive is economically favorable strategy for obtaining cost effective and environmentally friendly ASCs. PMID:27184260

  7. Enhancing Specific Energy and Power in Asymmetric Supercapacitors - A Synergetic Strategy based on the Use of Redox Additive Electrolytes.

    PubMed

    Singh, Arvinder; Chandra, Amreesh

    2016-05-17

    The strategy of using redox additive electrolyte in combination with multiwall carbon nanotubes/metal oxide composites leads to a substantial improvements in the specific energy and power of asymmetric supercapacitors (ASCs). When the pure electrolyte is optimally modified with a redox additive viz., KI, ~105% increase in the specific energy is obtained with good cyclic stability over 3,000 charge-discharge cycles and ~14.7% capacitance fade. This increase is a direct consequence of the iodine/iodide redox pairs that strongly modifies the faradaic and non-faradaic type reactions occurring on the surface of the electrodes. Contrary to what is shown in few earlier reports, it is established that indiscriminate increase in the concentration of redox additives will leads to performance loss. Suitable explanations are given based on theoretical laws. The specific energy or power values being reported in the fabricated ASCs are comparable or higher than those reported in ASCs based on toxic acetonitrile or expensive ionic liquids. The paper shows that the use of redox additive is economically favorable strategy for obtaining cost effective and environmentally friendly ASCs.

  8. Enhancing Specific Energy and Power in Asymmetric Supercapacitors - A Synergetic Strategy based on the Use of Redox Additive Electrolytes

    NASA Astrophysics Data System (ADS)

    Singh, Arvinder; Chandra, Amreesh

    2016-05-01

    The strategy of using redox additive electrolyte in combination with multiwall carbon nanotubes/metal oxide composites leads to a substantial improvements in the specific energy and power of asymmetric supercapacitors (ASCs). When the pure electrolyte is optimally modified with a redox additive viz., KI, ~105% increase in the specific energy is obtained with good cyclic stability over 3,000 charge-discharge cycles and ~14.7% capacitance fade. This increase is a direct consequence of the iodine/iodide redox pairs that strongly modifies the faradaic and non-faradaic type reactions occurring on the surface of the electrodes. Contrary to what is shown in few earlier reports, it is established that indiscriminate increase in the concentration of redox additives will leads to performance loss. Suitable explanations are given based on theoretical laws. The specific energy or power values being reported in the fabricated ASCs are comparable or higher than those reported in ASCs based on toxic acetonitrile or expensive ionic liquids. The paper shows that the use of redox additive is economically favorable strategy for obtaining cost effective and environmentally friendly ASCs.

  9. Large-scale Manufacturing of Nanoparticulate-based Lubrication Additives for Improved Energy Efficiency and Reduced Emissions

    SciTech Connect

    Erdemir, Ali

    2013-09-26

    This project was funded under the Department of Energy (DOE) Lab Call on Nanomanufacturing for Energy Efficiency and was directed toward the development of novel boron-based nanocolloidal lubrication additives for improving the friction and wear performance of machine components in a wide range of industrial and transportation applications. Argonne's research team concentrated on the scientific and technical aspects of the project, using a range of state-of-the art analytical and tribological test facilities. Argonne has extensive past experience and expertise in working with boron-based solid and liquid lubrication additives, and has intellectual property ownership of several. There were two industrial collaborators in this project: Ashland Oil (represented by its Valvoline subsidiary) and Primet Precision Materials, Inc. (a leading nanomaterials company). There was also a sub-contract with the University of Arkansas. The major objectives of the project were to develop novel boron-based nanocolloidal lubrication additives and to optimize and verify their performance under boundary-lubricated sliding conditions. The project also tackled problems related to colloidal dispersion, larger-scale manufacturing and blending of nano-additives with base carrier oils. Other important issues dealt with in the project were determination of the optimum size and concentration of the particles and compatibility with various base fluids and/or additives. Boron-based particulate additives considered in this project included boric acid (H{sub 3}BO{sub 3}), hexagonal boron nitride (h-BN), boron oxide, and borax. As part of this project, we also explored a hybrid MoS{sub 2} + boric acid formulation approach for more effective lubrication and reported the results. The major motivation behind this work was to reduce energy losses related to friction and wear in a wide spectrum of mechanical systems and thereby reduce our dependence on imported oil. Growing concern over greenhouse gas

  10. New results on the superdeformed {sup 196}Pb nucleus: The decay of the excited bands to the yrast band

    SciTech Connect

    Bouneau, S.; Azaiez, F.; Duprat, J.

    1996-12-31

    The study of the superdeformed (SD) {sup 196}Pb nucleus has been revisited using the EUROGAM phase 2 spectrometer. In addition to the known yrast and two lowest excited SD bands, a third excited SD band has been seen. All of the three excited bands were found to decay to the yrast SD band through, presumably, E1 transitions, allowing relative spin and excitation energy assignments. Comparisons with calculations using the random-phase approximation suggest that all three excited bands can be interpreted as octupole vibrational structures.

  11. Multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution as a mechanism to generate intermediate band energy levels

    NASA Astrophysics Data System (ADS)

    Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.

    2017-04-01

    In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.

  12. Data on energy-band-gap characteristics of composite nanoparticles obtained by modification of the amorphous potassium polytitanate in aqueous solutions of transition metal salts

    PubMed Central

    Zimnyakov, D.A.; Sevrugin, A.V.; Yuvchenko, S.A.; Fedorov, F.S.; Tretyachenko, E.V.; Vikulova, M.A.; Kovaleva, D.S.; Krugova, E.Y.; Gorokhovsky, A.V.

    2016-01-01

    Here we present the data on the energy-band-gap characteristics of composite nanoparticles produced by modification of the amorphous potassium polytitanate in aqueous solutions of different transition metal salts. Band gap characteristics are investigated using diffuse reflection spectra of the obtained powders. Calculated logarithmic derivative quantity of the Kubelka–Munk function reveals a presence of local maxima in the regions 0.5–1.5 eV and 1.6–3.0 eV which correspond to band gap values of the investigated materials. The values might be related to the constituents of the composite nanoparticles and intermediate products of their chemical interaction. PMID:27158654

  13. The SrTiO3/BiFeO3 (001) interface: commutativity of energy band discontinuities

    NASA Astrophysics Data System (ADS)

    Schafranek, R.; Baniecki, J. D.; Ishii, M.; Kotaka, Y.; Kurihara, K.

    2013-05-01

    The interface formation between the perovskite oxides SrTiO3 and BiFeO3 was studied using in situ photoelectron spectroscopy by depositing BiFeO3 on SrTiO3 and vice versa via pulsed laser deposition. For the interfaces characterized, a type II band alignment with a valence band offset of 0.9-1.0 eV and a conduction band offset of 0.5-0.6 eV was observed. Within the margin of error the commutativity was fulfilled for the SrTiO3/BiFeO3 interface, meaning that the band alignment does not depend on the deposition sequence.

  14. Development of a New Hypersonic Shock Tunnel Facility to Investigate Electromagnetic Energy Addition for Flow Control and Basic Supersonic Combustion

    NASA Astrophysics Data System (ADS)

    Toro, P. G. P.; Minucci, M. A. S.; Chanes, J. B.; Pereira, A. L.; Nagamatsu, H. T.

    2006-05-01

    A new 0.6-m. diameter Hypersonic Shock Tunnel is been designed, fabricated and will be installed at the Laboratory of Aerothermodynamics and Hypersonics IEAv-CTA, Brazil. The brand new hypersonic facility, designated as T3, is primarily intended to be used as an important tool in the investigation of supersonic combustion management and of electromagnetic energy addition for flow control. The design of the runnel enables relatively long test times, 2-10 milliseconds, suitable for basic supersonic combustion and energy addition by laser experiments. Free stream Mach numbers ranging from 6 to 25 can be produced and stagnation pressures and temperatures of 200 atm. and 5,500 K, respectively, can be generated. Shadowgraph and schlieren optical techniques will be used for flow visualization and the new facility is expected to be commissioned by the end of 2006.

  15. Evidence of a Shockley-Read-Hall Defect State Independent of Band-Edge Energy in InAs/In(As,Sb) Type-II Superlattices

    DOE PAGES

    Aytac, Y.; Olson, B. V.; Kim, J. K.; ...

    2016-06-01

    A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less

  16. Energy Band Gap, Intrinsic Carrier Concentration and Fermi Level of CdTe Bulk Crystal between 304 K and 1067 K

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua

    2007-01-01

    Optical transmission measurements were performed on CdTe bulk single crystal. It was found that when a sliced and polished CdTe wafer was used, a white film started to develop when the sample was heated above 530 K and the sample became opaque. Therefore, a bulk crystal of CdTe was first grown in the window area by physical vapor transport; the optical transmission was then measured and from which the energy band gap was derived between 304 and 1067 K. The band gaps of CdTe can be fit well as a function of temperature using the Varshini expression: Eg (e V) = 1.5860 - 5.9117xl0(exp -4) T(sup 2)/(T + 160). Using the band gap data, the high temperature electron-hole equilibrium was calculated numerically by assuming the Kane's conduction band structure and a heavy-hole parabolic valance band. The calculated intrinsic carrier concentrations agree well with the experimental data reported previously. The calculated intrinsic Fermi levels between 270 and 1200 K were also presented.

  17. Probing optical band gaps at the nanoscale in NiFe₂O₄ and CoFe₂O₄ epitaxial films by high resolution electron energy loss spectroscopy

    SciTech Connect

    Dileep, K.; Loukya, B.; Datta, R.; Pachauri, N.; Gupta, A.

    2014-09-14

    Nanoscale optical band gap variations in epitaxial thin films of two different spinel ferrites, i.e., NiFe₂O₄ (NFO) and CoFe₂O₄ (CFO), have been investigated by spatially resolved high resolution electron energy loss spectroscopy. Experimentally, both NFO and CFO show indirect/direct band gaps around 1.52 eV/2.74 and 2.3 eV, and 1.3 eV/2.31 eV, respectively, for the ideal inverse spinel configuration with considerable standard deviation in the band gap values for CFO due to various levels of deviation from the ideal inverse spinel structure. Direct probing of the regions in both the systems with tetrahedral A site cation vacancy, which is distinct from the ideal inverse spinel configuration, shows significantly smaller band gap values. The experimental results are supported by the density functional theory based modified Becke-Johnson exchange correlation potential calculated band gap values for the different cation configurations.

  18. Band-gap energy of heteropoly compounds containing Keggin polyanion-[PVxMo12-xO40]-(3+x) relates to counter-cations and temperature studied by UV-VIS diffuse reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Sasca, Viorel; Popa, Alexandru

    2013-10-01

    The band gap energy (absorption edge energies) of the pure H3[PMo12O40].13H2O and H4[PVMo11O40].13H2O, respectively, supported on SiO2 and SiC and some of its NH4+ and Cs+ salts were determined by different methods. The influence of the counter-cations and the temperature on band gap energy was studied. In this purpose, the diffuse reflectance spectra of above mentioned compounds were registered at different temperatures, and it were transposed in the curves of the Kubelka-Munk function vs. wavelength. The band gap energies were determined by processing of low field energy of the ligand-metal charge transfer band (O2- → Mo6+ and O2- → V5+) usually observed between 200 and 400 nm on these curves. In this aim, the Tauc's relation was adapted for Kubelka-Munk function use and it was plotted for n = 1/2 (direct transition) and 2 (indirect transition) vs. wave energy (photon energy). The intersection of the curves' tangent drawn to their point of inflection with horizontal axis gives the band gap energy. The other method for calculation of band gap energy was the differential calculus on the Kubelka-Munk function vs. wave energy curve where the x value corresponding to curves' maximum is the found value. The comparison between experimental band gap values and literature data showed their partial fit. The higher temperature produces the band gap energy diminution as a result of a stronger interaction between Keggin Units, which occurs especially by the crystallization water loss. The Keggin Units isolation one from another by voluminous counter-ion or their spreading on a support leads to a weaker interaction between them and as a consequence, the increasing of absorption edge energy. A linear correlation of the crystallites size with band gap energy was observed.

  19. Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

    SciTech Connect

    Spackman, Peter R.; Karton, Amir

    2015-05-15

    Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L{sup α} two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol{sup –1}. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol{sup –1}.

  20. Influence of Water Vapors and Hydrogen on the Energy Band Bending in the SnO2 Microcrystals of Polycrystalline Tin Dioxide Films

    NASA Astrophysics Data System (ADS)

    Gaman, V. I.; Almaev, A. V.; Sevast'yanov, E. Yu.; Maksimova, N. K.

    2015-06-01

    The results of studying the dependence of the energy band bending at the interface of contacting SnO2 microcrystals in the polycrystalline tin dioxide film on the humidity level of clean air and hydrogen concentration in the gas mixture of clean air + H2 are presented. The experimental results showed that the bending of energy bands in SnO2 is decreased under exposure to the water vapors and molecular hydrogen. The presence of two types of the adsorption centers for water molecules on the surface of SnO2 is found. It is shown that at the absolute humidity of the gas mixture above 12 g/m3, the H2O and H2 molecules are adsorbed on the same centers, whose surface density is of 1012 сm-2 at a concentration of donor impurity in SnO2 equal to 1018 сm-3.

  1. Characteristics of the energy bands and the spectroscopic parameters of Pr3+ ions in PrCl3 mixed methanol, iso-propanol and butanol solutions.

    PubMed

    Jana, Samar; Mitra, Subrata

    2011-12-01

    An investigation on the absorption spectra of the praseodymium chloride (PrCl(3)) in methanol, iso-propanol and butanol is carried out between 190 nm and 1100 nm. We have observed and assigned six energy bands of the 4f(2) electronic configuration of the Pr(3+) ion in the visible to near-infra-red and one due to 4f5d configuration in the ultraviolet region. The 4f5d band has been detected properly for low concentration of PrCl(3). We have also constructed a free-ion Hamiltonian and calculated the energy levels of the 4f(2) configuration theoretically. Hence, the best fit free-ion parameters are deduced.

  2. Theoretical analysis of the crystal structure, band-gap energy, polarization, and piezoelectric properties of ZnO-BeO solid solutions

    NASA Astrophysics Data System (ADS)

    Dong, L.; Alpay, S. P.

    2011-07-01

    The electrical properties, the spontaneous polarization, and the piezoelectric response of ZnO can be tailored by alloying ZnO with BeO for applications such as electrodes in flat panel displays and solar cells, blue and ultraviolet (UV) light emitting devices, and highly sensitive UV detectors. We present here the results of a study that employs density-functional theory to analyze the crystal structure, the band structure, spontaneous polarization, and piezoelectric properties of Zn1-xBexO solid solutions. Our findings indicate that Zn1-xBexO alloys may have a different crystal structure than the end components ZnO and BeO that crystallize in the prototypical wurtzite structure (P63mc). It is shown that orthorhombic lattices with Pmn21, Pna21, or P21 structures may have lower formation energies than the wurtzite lattice at a given Be composition. The band-gap energies of Zn1-xBexO in the wurtzite and the orthorhombic structures are nearly identical and the bowing of the band-gap energy increases with increasing Be concentration. The spontaneous polarization of Zn1-xBexO in the orthorhombic lattice is markedly larger compared to the wurtzite structure while the piezoelectric polarization in the wurtzite and orthorhombic structures varies linearly with the Be concentration.

  3. Observation of mini-band formation in the ground and high-energy electronic states of super-lattice solar cells

    NASA Astrophysics Data System (ADS)

    Usuki, Takanori; Matsuochi, Kouki; Nakamura, Tsubasa; Toprasertpong, Kasidit; Fukuyama, Atsuhiko; Sugiyama, Masakazu; Nakano, Yoshiaki; Ikari, Tetsuo

    2016-03-01

    Multiple Quantum wells (MQWs) have been studied as one promising material for high-efficiency nextgeneration solar cells. However, a portion of photo-excited carriers recombine in MQWs, resulting in the degradation of cell performance. Super-lattice (SL) structures, where quantum states in neighboring quantum wells strongly couple with each other, have been proposed for the carrier collection improvement via the tunneling transport through mini-bands. Therefore, it is important to characterize mini-band formation in various types of SL structures. We examined p-i-n GaAs-based solar cells whose i layers contain 20 stacks of InGaAs/GaAsP MQW structures with 2.1-nm GaAsP barriers (thin-barrier cell), with 2.1-nm barriers and 3-nm GaAs interlayers in between GaAsP barriers and InGaAs wells (stepbarrier cell), and with 7.8-nm barriers (thick-barrier cell). We investigated the optical absorption spectra of the SL solar cells using piezoelectric photo-thermal (PPT) spectroscopy. In the thick-barrier cell, one exciton peak was observed near the absorption edge of MQWs. On the other hand, we confirmed a split of the exciton peak for the thin-barrier SL, suggesting the formation of mini-band. Moreover, in the step-barrier cell, the mini-band at the ground state disappears since thick GaAs interlayers isolate each quantum-well ground state and, instead, the mini-band formation of highenergy states could be observed. By estimating from the energy-level calculation, this is attributed to the mini-band formation of light-hole states. This can well explain the improvement of carrier collection efficiency (CCE) of the thinbarrier and the step-barrier cells compared with the thick-barrier cell.

  4. Dynamic quasi-energy-band modulation and exciton effects in biased superlattices driven by a two-color far-infrared field: Disappearance of dynamic localization

    NASA Astrophysics Data System (ADS)

    Yashima, Kenta; Hino, Ken-Ichi; Toshima, Nobuyuki

    2003-12-01

    A theoretical study of the optical and electronic properties of semiconductor superlattices in ac-dc fields, termed the dynamic Wannier-Stark ladder (DWSL), is done. The biased superlattices are driven by two far-infrared fields with different frequencies and relative phase of δ. Here, the frequency of the first laser is equal to the Bloch frequency ωB of the system under study, while that of the second laser is equal to 2ωB. Quasienergies of the DWSL are calculated based on the Floquet theorem, and the associated linear photoabsorption spectra are evaluated. For δ=0, a gourd-shaped quasi-energy structure characteristic of both dynamic localization (DL) and delocalization (DDL), similar to the usual DWSL driven by a single laser, appears. By changing the ratio of the two laser strengths, however, the width of the quasi-energy band and the locations of both DL and DDL vary noticeably. As for δ≠0, on the other hand, band collapse and the associated DL do not necessarily follow. In fact, DL vanishes and the quasi-energy degeneracy is lifted in a certain range of δ. Just DDL remains over the entire range of the laser strength, eventually resulting in a plateaulike band structure in the linear absorption spectra. The basic physics underlying this phenomenon, which can be readily interpreted in terms of a closed analytical expression, is that all quasi-energies for given crystal momenta are out of phase with each other as a function of laser strength without converging to a single point of energy. This is a feature of this DWSL which sharply distinguishes it from a conventional DWSL generated using a single laser to drive it. Furthermore, an exciton effect is incorporated with the above noninteracting problem, so that exciton dressed states are formed. It is found that this effect gives rise to more involved quasi-energy structures and a more pronounced release of the energy degeneracy of DL, leading again to the formation of a band structure in the absorption

  5. Additive effects on the energy barrier for synaptic vesicle fusion cause supralinear effects on the vesicle fusion rate

    PubMed Central

    Schotten, Sebastiaan; Meijer, Marieke; Walter, Alexander Matthias; Huson, Vincent; Mamer, Lauren; Kalogreades, Lawrence; ter Veer, Mirelle; Ruiter, Marvin; Brose, Nils; Rosenmund, Christian

    2015-01-01

    The energy required to fuse synaptic vesicles with the plasma membrane (‘activation energy’) is considered a major determinant in synaptic efficacy. From reaction rate theory, we predict that a class of modulations exists, which utilize linear modulation of the energy barrier for fusion to achieve supralinear effects on the fusion rate. To test this prediction experimentally, we developed a method to assess the number of releasable vesicles, rate constants for vesicle priming, unpriming, and fusion, and the activation energy for fusion by fitting a vesicle state model to synaptic responses induced by hypertonic solutions. We show that complexinI/II deficiency or phorbol ester stimulation indeed affects responses to hypertonic solution in a supralinear manner. An additive vs multiplicative relationship between activation energy and fusion rate provides a novel explanation for previously observed non-linear effects of genetic/pharmacological perturbations on synaptic transmission and a novel interpretation of the cooperative nature of Ca2+-dependent release. DOI: http://dx.doi.org/10.7554/eLife.05531.001 PMID:25871846

  6. Calcium Carbonate Nanoplate Assemblies with Directed High-Energy Facets: Additive-Free Synthesis, High Drug Loading, and Sustainable Releasing.

    PubMed

    Zhang, Jing; Li, Yu; Xie, Hao; Su, Bao-Lian; Yao, Bin; Yin, Yixia; Li, Shipu; Chen, Fang; Fu, Zhengyi

    2015-07-29

    Developing drug delivery systems (DDSs) with high drug-loading capacity and sustainable releasing is critical for long-term chemotherapeutic efficacy, and it still remains challenging. Herein, vaterite CaCO3 nanoplate assemblies with exposed high-energy {001} facets have been synthesized via a novel, additive-free strategy. The product shows a high doxorubicin-loading capacity (65%); the best of all the CaCO3-based DDSs so far. Also, the product's sustainable releasing performance and its inhibition of the initial burst release, together, endow it with long-term drug efficacy. The work may shed light on exposing directed high-energy facets for rationally designing of a drug delivery system with long-term efficacy.

  7. Performance of a normalized energy metric without jammer state information for an FH/MFSK system in worst case partial band jamming

    NASA Technical Reports Server (NTRS)

    Lee, P. J.

    1985-01-01

    For a frequency-hopped noncoherent MFSK communication system without jammer state information (JSI) in a worst case partial band jamming environment, it is well known that the use of a conventional unquantized metric results in very poor performance. In this paper, a 'normalized' unquantized energy metric is suggested for such a system. It is shown that with this metric, one can save 2-3 dB in required signal energy over the system with hard decision metric without JSI for the same desired performance. When this very robust metric is compared to the conventional unquantized energy metric with JSI, the loss in required signal energy is shown to be small. Thus, the use of this normalized metric provides performance comparable to systems for which JSI is known. Cutoff rate and bit error rate with dual-k coding are used for the performance measures.

  8. Recent Additions in the Modeling Capabilities of an Open-Source Wave Energy Converter Design Tool: Preprint

    SciTech Connect

    Tom, N.; Lawson, M.; Yu, Y. H.

    2015-04-20

    WEC-Sim is a midfidelity numerical tool for modeling wave energy conversion devices. The code uses the MATLAB SimMechanics package to solve multibody dynamics and models wave interactions using hydrodynamic coefficients derived from frequency-domain boundary-element methods. This paper presents the new modeling features introduced in the latest release of WEC-Sim. The first feature discussed conversion of the fluid memory kernel to a state-space form. This enhancement offers a substantial computational benefit after the hydrodynamic body-to-body coefficients are introduced and the number of interactions increases exponentially with each additional body. Additional features include the ability to calculate the wave-excitation forces based on the instantaneous incident wave angle, allowing the device to weathervane, as well as import a user-defined wave elevation time series. A review of the hydrodynamic theory for each feature is provided and the successful implementation is verified using test cases.

  9. An innovative anion regulation strategy for energy bands of semiconductors: a case from Bi2O3 to Bi2O(OH)2SO4.

    PubMed

    Tian, Hao; Teng, Fei; Xu, Juan; Lou, Sunqi; Li, Na; Zhao, Yunxuan; Chen, Mindong

    2015-01-19

    How to develop a new, efficient photo catalyst is still a big challenge to us. A suitable band gap is the key for light absorption of semiconductor. Herein, an innovative anion intercalation strategy is, for the first time, developed to regulate the energy band of semiconductor. Typically, we introduce a layered sulfate compound (Bi2O(OH)2SO4) as a new photo catalyst, which has not been known before. Both partial density of states (PDOS) and total density of states (TDOS) have demonstrated that compared with Bi2O3 (2.85 eV), the band gap of Bi2O(OH)2SO4 has been widened to 4.18 eV by the intercalation of sulfate anion. Moreover, the band gap width of oxyacid salt compound is mainly predominated by the number of the outmost electrons (NOE) of central atom of anion. This study suggests that new photo catalysts can be developed by grouping anions with the existing oxides or sulfides.

  10. An Innovative Anion Regulation Strategy for Energy Bands of Semiconductors: A Case from Bi2O3 to Bi2O(OH)2SO4

    PubMed Central

    Tian, Hao; Teng, Fei; Xu, Juan; Lou, Sunqi; Li, Na; Zhao, Yunxuan; Chen, Mindong

    2015-01-01

    How to develop a new, efficient photo catalyst is still a big challenge to us. A suitable band gap is the key for light absorption of semiconductor. Herein, an innovative anion intercalation strategy is, for the first time, developed to regulate the energy band of semiconductor. Typically, we introduce a layered sulfate compound (Bi2O(OH)2SO4) as a new photo catalyst, which has not been known before. Both partial density of states (PDOS) and total density of states (TDOS) have demonstrated that compared with Bi2O3 (2.85 eV), the band gap of Bi2O(OH)2SO4 has been widened to 4.18 eV by the intercalation of sulfate anion. Moreover, the band gap width of oxyacid salt compound is mainly predominated by the number of the outmost electrons (NOE) of central atom of anion. This study suggests that new photo catalysts can be developed by grouping anions with the existing oxides or sulfides. PMID:25597769

  11. The Addition of a Video Game to Stationary Cycling: The Impact on Energy Expenditure in Overweight Children.

    PubMed

    Haddock, Bryan L; Siegel, Shannon R; Wikin, Linda D

    2009-01-01

    INTRODUCTION: The prevalence of obesity in children has reached epidemic proportions with over 37% of children aged 6-11 years in the U.S. being classified as "at risk for overweight" or "overweight." Utilization of active video games has been proposed as one possible mechanism to help shift the tide of the obesity epidemic. PURPOSE: The purpose of this study was to determine if riding a stationary bike that controlled a video game would lead to significantly greater energy expenditure than riding the same bike without the video game connected. METHODS: Twenty children, 7-14 years old, with a BMI classification of "at risk for overweight" or "overweight" participated in this study. Following familiarization, energy expenditure was evaluated while riding a stationary bike for 20 minutes. One test was performed without the addition of a video game and one test with the bike controlling the speed of a car on the video game. RESULTS: Oxygen consumption and energy expenditure were significantly elevated above baseline in both conditions. Energy expenditure was significantly higher while riding the bike as it controlled the video game (4.4 ± 1.2 Kcal·min(-1)) than when riding the bike by itself (3.7 ± 1.1 Kcal·min(-1)) (p<0.05). Perceived exertion was not significantly different between the two sessions (p>0.05). CONCLUSION: Using a stationary bike to control a video game led to greater energy expenditure than riding a stationary bike without the video game and without a related increase in perceived exertion.

  12. Absence of a {open_quote}{open_quote}Threshold Effect{close_quote}{close_quote} in the Energy Loss of Slow Protons Traversing Large-Band-Gap Insulators

    SciTech Connect

    Eder, K.; Semrad, D.; Bauer, P.; Golser, R.; Maier-Komor, P.; Aumayr, F.; Penalba, M.; Arnau, A.; Ugalde, J.M.; Echenique, P.M.

    1997-11-01

    The electronic stopping cross section {var_epsilon} of slow hydrogen projectiles in large-band-gap insulators has been measured at energies of a few keV. Even at velocities as low as v{sub 0}/3 (v{sub 0}=c/137) , we find no influence of the band gap on the velocity dependence of {var_epsilon} , contrary to the case of gaseous targets with similar minimum excitation energy. The magnitude of {var_epsilon} and its essentially linear velocity dependence allow us to arrive at the following conclusion: Electron promotion processes contribute substantially to stopping due to formation of molecular orbitals. This points towards the existence of a bound electron state at a proton that moves slowly in an insulator. A simple model based on the calculation of molecular orbital correlation diagrams for the H/LiF collision system supports the idea of local reduction of the band gap of an insulating target. {copyright} {ital 1997} {ital The American Physical Society}

  13. Edge configurational effect on band gaps in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Deepika, Kumar, T. J. Dhilip; Shukla, Alok; Kumar, Rakesh

    2015-03-01

    In this article, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed on oxygen-passivated GNR supercells of customized edge configurations without disturbing the inherent s p2 hybridization of carbon atoms. Direct band gaps are observed for both zigzag and armchair GNRs, consistent with the experimental reports. In addition, we provide an explanation of the experimentally observed scattered band gap values of GNRs as a function of width in a crystallographic orientation on the basis of edge configurations. We conclude that edge configurations of GNRs significantly contribute to band gap formation in addition to its width for a given crystallographic orientation and will play a crucial role in band gap engineering of GNRs for future research on fabrication of nanoelectronic devices.

  14. Effect of Complexation of NaCl Salt with Polymer Blend (PEO/PVP) Electrolytes on Ionic Conductivity and Optical Energy Band Gaps

    NASA Astrophysics Data System (ADS)

    Kumar, K. Kiran; Pavani, Y.; Ravi, M.; Bhavani, S.; Sharma, A. K.; Rao, V. V. R. Narasimha

    2011-10-01

    Sodium ion conducting polymer blend electrolyte films, based on polyethylene oxide (PEO) and poly vinyl pyrrolidone (PVP) complexed with NaCl salt, were prepared using solution casting technique. The complexation of the salt with the polymer blend was confirmed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and UV-vis spectroscopy. Frequency and temperature dependence of electrical conductivity of the films was studied with impedance analyzer in the frequency range of 1 Hz to 1 MHz and in the temperature range of 303-348 K. UV-vis absorption spectra in wavelength region 200-800 nm, were used to evaluate the optical properties like direct and indirect optical energy band gaps, optical absorption edge. The optical band gaps decreased with the increase of Na+ ion concentration. This suggests that NaCl, as dopant, is a good choice to improve the electrical and optical properties of PEO/PVP polymer blend electrolytes.

  15. High energy electron irradiation of interstellar carbonaceous dust analogs: Cosmic ray effects on the carriers of the 3.4 µm absorption band.

    PubMed

    Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel; Tanarro, Isabel; Herrero, Víctor J

    2016-11-01

    The effects of cosmic rays on the carriers of the interstellar 3.4 μm absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH3 and CH2 in carbonaceous dust. It is widely observed in the diffuse interstellar medium (ISM), but disappears in dense clouds. Destruction of CH3 and CH2 by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity vs electron fluence reflects a-C:H dehydrogenation, which is well described by a model assuming that H2 molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic ray destruction times for the 3.4 μm band carriers lie in the 10(8) yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 10(7) yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds.

  16. High energy electron irradiation of interstellar carbonaceous dust analogs: Cosmic ray effects on the carriers of the 3.4 µm absorption band

    PubMed Central

    Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel; Tanarro, Isabel; Herrero, Víctor J.

    2017-01-01

    The effects of cosmic rays on the carriers of the interstellar 3.4 μm absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH3 and CH2 in carbonaceous dust. It is widely observed in the diffuse interstellar medium (ISM), but disappears in dense clouds. Destruction of CH3 and CH2 by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity vs electron fluence reflects a-C:H dehydrogenation, which is well described by a model assuming that H2 molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic ray destruction times for the 3.4 μm band carriers lie in the 108 yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 107 yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds. PMID:28133388

  17. High-energy Electron Irradiation of Interstellar Carbonaceous Dust Analogs: Cosmic-ray Effects on the Carriers of the 3.4 μm Absorption Band

    NASA Astrophysics Data System (ADS)

    Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel; Tanarro, Isabel; Herrero, Víctor J.

    2016-11-01

    The effects of cosmic rays on the carriers of the interstellar 3.4 μm absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH3 and CH2 in carbonaceous dust. It is widely observed in the diffuse interstellar medium, but disappears in dense clouds. Destruction of CH3 and CH2 by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity versus electron fluence reflects a-C:H dehydrogenation, which is well described by a model assuming that H2 molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher-energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic-ray destruction times for the 3.4 μm band carriers lie in the 108 yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 107 yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds.

  18. Triaxial strongly deformed bands in {sup 164}Hf and the effect of elevated yrast line

    SciTech Connect

    Ma Wenchao

    2012-10-20

    Two exotic rotational bands have been identified in {sup 164}Hf and linked to known states. They are interpreted as being associated with the calculated triaxial strongly deformed (TSD) potential energy minimum. The bands are substantially stronger and are located at much lower spins than the previously discovered TSD bands in {sup 168}Hf. In addition to the proton and neutron shell gaps at large trixiality, it was proposed that the relative excitation energy of TSD bands above the yrast line plays an important role in the population of TSD bands.

  19. Fabrication of Thermoelectric Devices Using Additive-Subtractive Manufacturing Techniques: Application to Waste-Heat Energy Harvesting

    NASA Astrophysics Data System (ADS)

    Tewolde, Mahder

    Thermoelectric generators (TEGs) are solid-state devices that convert heat directly into electricity. They are well suited for waste-heat energy harvesting applications as opposed to primary energy generation. Commercially available thermoelectric modules are flat, inflexible and have limited sizes available. State-of-art manufacturing of TEG devices relies on assembling prefabricated parts with soldering, epoxy bonding, and mechanical clamping. Furthermore, efforts to incorporate them onto curved surfaces such as exhaust pipes, pump housings, steam lines, mixing containers, reaction chambers, etc. require custom-built heat exchangers. This is costly and labor-intensive, in addition to presenting challenges in terms of space, thermal coupling, added weight and long-term reliability. Additive manufacturing technologies are beginning to address many of these issues by reducing part count in complex designs and the elimination of sub-assembly requirements. This work investigates the feasibility of utilizing such novel manufacturing routes for improving the manufacturing process of thermoelectric devices. Much of the research in thermoelectricity is primarily focused on improving thermoelectric material properties by developing of novel materials or finding ways to improve existing ones. Secondary to material development is improving the manufacturing process of TEGs to provide significant cost benefits. To improve the device fabrication process, this work explores additive manufacturing technologies to provide an integrated and scalable approach for TE device manufacturing directly onto engineering component surfaces. Additive manufacturing techniques like thermal spray and ink-dispenser printing are developed with the aim of improving the manufacturing process of TEGs. Subtractive manufacturing techniques like laser micromachining are also studied in detail. This includes the laser processing parameters for cutting the thermal spray materials efficiently by

  20. Minority additive distributions in a ceramic metal-halide arc lamp using high-energy x-ray induced fluorescence

    NASA Astrophysics Data System (ADS)

    Curry, J. J.; Adler, H. G.; Shastri, S. D.; Lawler, J. E.

    2001-09-01

    X-ray induced fluorescence is used to measure the elemental densities of minority additives in a metal-halide arc contained inside a translucent ceramic envelope. A monochromatic x-ray beam from the Sector 1 Insertion Device beamline at the Advanced Photon Source is used to excite K-shell x-ray fluorescence in the constituents of a ceramic metal-halide arc lamp dosed with DyI3 and CsI. Fluorescence and scattered photons are collected by a cryogenic energy-resolving Ge detector. The high signal-to-noise spectra show strong fluorescence from Dy, Cs, and I, as well as elastic scattering from Hg. Radial distributions of the absolute elemental densities of Dy, Cs, and I are obtained.

  1. Minority additive distributions in a ceramic metal-halide arc lamp using high-energy x-ray induced fluorescence

    SciTech Connect

    Curry, J. J.; Adler, H. G.; Shastri, S. D.; Lawler, J. E.

    2001-09-24

    X-ray induced fluorescence is used to measure the elemental densities of minority additives in a metal-halide arc contained inside a translucent ceramic envelope. A monochromatic x-ray beam from the Sector 1 Insertion Device beamline at the Advanced Photon Source is used to excite K-shell x-ray fluorescence in the constituents of a ceramic metal-halide arc lamp dosed with DyI{sub 3} and CsI. Fluorescence and scattered photons are collected by a cryogenic energy-resolving Ge detector. The high signal-to-noise spectra show strong fluorescence from Dy, Cs, and I, as well as elastic scattering from Hg. Radial distributions of the absolute elemental densities of Dy, Cs, and I are obtained.

  2. Effects of adsorbed pyridine derivatives and ultrathin atomic-layer-deposited alumina coatings on the conduction band-edge energy of TiO2 and on redox-shuttle-derived dark currents.

    PubMed

    Katz, Michael J; Vermeer, Michael J D; Farha, Omar K; Pellin, Michael J; Hupp, Joseph T

    2013-01-15

    Both the adsorption of t-butylpyridine and the atomic-layer deposition of ultrathin conformal coatings of insulators (such as alumina) are known to boost open-circuit photovoltages substantially for dye-sensitized solar cells. One attractive interpretation is that these modifiers significantly shift the conduction-edge energy of the electrode, thereby shifting the onset potential for dark current arising from the interception of injected electrons by solution-phase redox shuttle components such as Co(phenanthroline)(3)(3+) and triiodide. For standard, high-area, nanoporous photoelectrodes, band-edge energies are difficult to measure directly. In contrast, for flat electrodes they are readily accessible from Mott-Schottky analyses of impedance data. Using such electrodes (specifically TiO(2)), we find that neither organic nor inorganic electrode-surface modifiers shift the conduction-band-edge energy sufficiently to account fully for the beneficial effects on electrode behavior (i.e., the suppression of dark current). Additional experiments reveal that the efficacy of ultrathin coatings of Al(2)O(3) arises chiefly from the passivation of redox-catalytic surface states. In contrast, adsorbed t-butylpyridine appears to suppress dark currents mainly by physically blocking access of shuttle molecules to the electrode surface. Studies with other derivatives of pyridine, including sterically and/or electronically diverse derivatives, show that heterocycle adsorption and the concomitant suppression of dark current does not require the coordination of surface Ti(IV) or Al(III) atoms. Notably, the favorable (i.e., negative) shifts in onset potential for the flow of dark current engendered by organic and inorganic surface modifiers are additive. Furthermore, they appear to be largely insensitive to the identity of shuttle molecules.

  3. Assessment of PNGV fuels infrastructure. Phase 1 report: Additional capital needs and fuel-cycle energy and emissions impacts

    SciTech Connect

    Wang, M.; Stork, K.; Vyas, A.; Mintz, M.; Singh, M.; Johnson, L.

    1997-01-01

    This report presents the methodologies and results of Argonne`s assessment of additional capital needs and the fuel-cycle energy and emissions impacts of using six different fuels in the vehicles with tripled fuel economy (3X vehicles) that the Partnership for a New Generation of Vehicles is currently investigating. The six fuels included in this study are reformulated gasoline, low-sulfur diesel, methanol, ethanol, dimethyl ether, and hydrogen. Reformulated gasoline, methanol, and ethanol are assumed to be burned in spark-ignition, direct-injection engines. Diesel and dimethyl ether are assumed to be burned in compression-ignition, direct-injection engines. Hydrogen and methanol are assumed to be used in fuel-cell vehicles. The authors have analyzed fuels infrastructure impacts under a 3X vehicle low market share scenario and a high market share scenario. The assessment shows that if 3X vehicles are mass-introduced, a considerable amount of capital investment will be needed to build new fuel production plants and to establish distribution infrastructure for methanol, ethanol, dimethyl ether, and hydrogen. Capital needs for production facilities will far exceed those for distribution infrastructure. Among the four fuels, hydrogen will bear the largest capital needs. The fuel efficiency gain by 3X vehicles translates directly into reductions in total energy demand, fossil energy demand, and CO{sub 2} emissions. The combination of fuel substitution and fuel efficiency results in substantial petroleum displacement and large reductions in emissions of nitrogen oxide, carbon monoxide, volatile organic compounds, sulfur oxide, and particulate matter of size smaller than 10 microns.

  4. Work function contrast and energy band modulation between amorphous and crystalline Ge{sub 2}Sb{sub 2}Te{sub 5} films

    SciTech Connect

    Tong, H.; Yang, Z.; Yu, N. N.; Zhou, L. J.; Miao, X. S.

    2015-08-24

    The work function (WF) is of crucial importance to dominate the carrier transport properties of the Ge-Sb-Te based interfaces. In this letter, the electrostatic force microscopy is proposed to extract the WF of Ge{sub 2}Sb{sub 2}Te{sub 5} (GST) films with high spatial and energy resolution. The measured WF of as-deposited amorphous GST is 5.34 eV and decreases drastically after the amorphous GST is crystallized by annealing or laser illumination. A 512 × 512 array 2D-WF map is designed to study the WF spatial distribution and shows a good consistency. The WF contrast between a-GST and c-GST is ascribed to band modulation, especially the modification of electron affinity including the contribution of charges or dipoles. Then, the band alignments of GST/n-Si heterostructures are obtained based on the Anderson's rule. Due to the band modulation, the I-V characteristics of a-GST/Si heterojunction and c-GST/Si heterojunction are very different from each other. The quantitative relationship is calculated by solving the Poisson's equation, which agrees well with the I-V measurements. Our findings not only suggest a way to further understand the electrical transport properties of Ge-Sb-Te based interfaces but also provide a non-touch method to distinguish crystalline area from amorphous matrix with high spatial resolution.

  5. Band heterotopia.

    PubMed

    Alam, M S; Naila, N

    2010-01-01

    Band heterotopias are one of the rarest groups of congenital disorder that result in variable degree of structural abnormality of brain parenchyma. Band of heterotopic neurons result from a congenital or acquired deficiency of the neuronal migration. MRI is the examination of choice for demonstrating these abnormalities because of the superb gray vs. white matter differentiation, detail of cortical anatomy and ease of multiplanar imaging. We report a case of band heterotopia that showed a bilateral band of gray matter in deep white matter best demonstrated on T2 Wt. and FLAIR images.

  6. Energy and angular momentum transfers from an electromagnetic wave to a copper ring in the UHF band

    NASA Astrophysics Data System (ADS)

    Émile, Olivier; Brousseau, Christian; Émile, Janine; Mahdjoubi, Kouroch

    2017-02-01

    Electromagnetic waves could carry orbital angular momentum. Such momentum can be transferred to macroscopic objects and can make them rotate under a constant torque. Based on experimental observations, we investigate the origin of orbital angular momentum and energy transfer. Due to angular momentum and energy conservation, we show that angular momentum transfer is due to the change in the sign of angular momentum upon reflection. This leads to a rotational Doppler shift of the electromagnetic wave frequency, ensuring energy conservation. xml:lang="fr"

  7. Energy band alignment of high-k oxide heterostructures at MoS2/Al2O3 and MoS2/ZrO2 interfaces

    NASA Astrophysics Data System (ADS)

    Pradhan, Sangram K.; Xiao, Bo; Pradhan, Aswini K.

    2016-09-01

    Substrate-induced electron energy band alignments of ultrathin molybdenum disulfide (MoS2) films are investigated using photoemission spectroscopy. Thin layer MoS2/Al2O3 and MoS2/ZrO2 interfaces show valence band offset (VBO) values of 3.21 eV and 2.77 eV, respectively. The corresponding conduction-band offset (CBO) values are 3.63 eV and 1.27 eV. Similarly, the calculated VBO and CBO values for an ultrathin layer of MoS2/SiO2 are estimated to be 4.25 and 2.91 eV, respectively. However, a very thick layer of MoS2 on Al2O3 and ZrO2 layers increases the CBO and VBO values by 0.31 eV and 0.2 eV, respectively, due to the shifting of the Mo 4dz2 band toward the Fermi level. The atomic force microscopy images show that the films are atomically smooth and favor the formation of a high-quality interface between the substrate and the film. The investigated luminescence spectra reveal that the MoS2 films show very strong interactions with different high-k surfaces, whereas the Raman spectrum is only weakly influenced by the different dielectric substrates. This interesting finding encourages the application of high-k oxide insulators as gate materials in MoS2-based complementary metal-oxide semiconductors and other electronic devices.

  8. Band crossing in a shears band of {sup 108}Cd

    SciTech Connect

    Roy, Santosh; Datta, Pradip; Pal, S.; Chattopadhyay, S.; Bhattacharya, S.; Goswami, A.; Jain, H. C.; Joshi, P. K.; Bhowmik, R. K.; Kumar, R.; Muralithar, S.; Singh, R. P.; Madhavan, N.; Rao, P. V. Madhusudhana

    2010-05-15

    The level lifetimes have been measured for a shears band of {sup 108}Cd that exhibits band crossing. The observed level energies and B(M1) rates have been successfully described by a semiclassical geometric model based on shear mechanism. In this geometric model, the band crossing in the shears band has been described as the reopening of the angle between the blades of a shear.

  9. A theory for narrow-banded radio bursts at Uranus - MHD surface waves as an energy driver

    NASA Technical Reports Server (NTRS)

    Farrell, W. M.; Curtis, S. A.; Desch, M. D.; Lepping, R. P.

    1992-01-01

    A possible scenario for the generation of the narrow-banded radio bursts detected at Uranus by the Voyager 2 planetary radio astronomy experiment is described. In order to account for the emission burstiness which occurs on time scales of hundreds of milliseconds, it is proposed that ULF magnetic surface turbulence generated at the frontside magnetopause propagates down the open/closed field line boundary and mode-converts to kinetic Alfven waves (KAW) deep within the polar cusp. The oscillating KAW potentials then drive a transient electron stream that creates the bursty radio emission. To substantiate these ideas, Voyager 2 magnetometer measurements of enhanced ULF magnetic activity at the frontside magnetopause are shown. It is demonstrated analytically that such magnetic turbulence should mode-convert deep in the cusp at a radial distance of 3 RU.

  10. Effective Hamiltonians for correlated narrow energy band systems and magnetic insulators: Role of spin-orbit interactions in metal-insulator transitions and magnetic phase transitions.

    PubMed

    Chakraborty, Subrata; Vijay, Amrendra

    2016-04-14

    Using a second-quantized many-electron Hamiltonian, we obtain (a) an effective Hamiltonian suitable for materials whose electronic properties are governed by a set of strongly correlated bands in a narrow energy range and (b) an effective spin-only Hamiltonian for magnetic materials. The present Hamiltonians faithfully include phonon and spin-related interactions as well as the external fields to study the electromagnetic response properties of complex materials and they, in appropriate limits, reduce to the model Hamiltonians due to Hubbard and Heisenberg. With the Hamiltonian for narrow-band strongly correlated materials, we show that the spin-orbit interaction provides a mechanism for metal-insulator transition, which is distinct from the Mott-Hubbard (driven by the electron correlation) and the Anderson mechanism (driven by the disorder). Next, with the spin-only Hamiltonian, we demonstrate the spin-orbit interaction to be a reason for the existence of antiferromagnetic phase in materials which are characterized by a positive isotropic spin-exchange energy. This is distinct from the Néel-VanVleck-Anderson paradigm which posits a negative spin-exchange for the existence of antiferromagnetism. We also find that the Néel temperature increases as the absolute value of the spin-orbit coupling increases.

  11. A study on the spectroscopic, energy band, and optoelectronic properties of α,ω-dihexylsexithiophene/tris(8-hydroxyquinolinate) gallium blends; DH6T/Gaq3 composite system

    NASA Astrophysics Data System (ADS)

    Muhammad, Fahmi F.; Yahya, Mohd Yazid; Ketuly, Kamal Aziz; Muhammad, Abdulkader Jaleel; Sulaiman, Khaulah

    2016-12-01

    In this work the optical response, spectroscopic behaviour, and optoelectronic properties of solution and solid state composite systems based on α,ω-dihexylsexithiophene/tris(8-hydroxyquinolinate) gallium (DH6T/Gaq3) are studied upon the incorporation of different molar percentages of Gaq3. UV-vis, PL, FTIR spectrophotometers and SEM technique were utilized to perform the investigations. The results showed a reduced energy band (Eg) (from 2.33 eV to 1.83 eV) and a broadened absorption spectrum for the blend system when 29.8% molar of Gaq3 was incorporated. These were attributed to the enhanced intermolecular interactions that are brought about by the increased strength of π - π overlap between the molecular moieties. A mathematical formula was developed to interpret the non-monotonic change occurred in Eg, while numerical calculations have been made to assign the type and nature of the electronic transitions governing the spectroscopic behaviour of the system. The results were elaborated and comprehensively discussed in terms of the exciton generation, energy band theory, molecular interactions, and spatial geometry.

  12. A Route to Phase Controllable Cu2ZnSn(S1−xSex)4 Nanocrystals with Tunable Energy Bands

    PubMed Central

    Ji, Shulin; Shi, Tongfei; Qiu, Xiaodong; Zhang, Jian; Xu, Guoping; Chen, Chao; Jiang, Zheng; Ye, Changhui

    2013-01-01

    Cu2ZnSn(S1−xSex)4 nanocrystals are an emerging family of functional materials with huge potential of industrial applications, however, it is an extremely challenging task to synthesize Cu2ZnSn(S1−xSex)4 nanocrystals with both tunable energy band and phase purity. Here we show that a green and economic route could be designed for the synthesis of Cu2ZnSn(S1−xSex)4 nanocrystals with bandgap tunable in the range of 1.5–1.12 eV. Consequently, conduction band edge shifted from −3.9 eV to −4.61 eV (relative to vacuum energy) is realized. The phase purity of Cu2ZnSn(S1−xSex)4 nanocrystals is substantiated with in-depth combined optical and structural characterizations. Electrocatalytic and thermoelectric performances of Cu2ZnSn(S1−xSex)4 nanocrystals verify their superior activity to replace noble metal Pt and materials containing heavy metals. This green and economic route will promote large-scale application of Cu2ZnSn(S1−xSex)4 nanocrystals as solar cell materials, electrocatalysts, and thermoelectric materials. PMID:24061108

  13. Demonstration of the Recent Additions in Modeling Capabilities for the WEC-Sim Wave Energy Converter Design Tool: Preprint

    SciTech Connect

    Tom, N.; Lawson, M.; Yu, Y. H.

    2015-03-01

    WEC-Sim is a mid-fidelity numerical tool for modeling wave energy conversion (WEC) devices. The code uses the MATLAB SimMechanics package to solve the multi-body dynamics and models the wave interactions using hydrodynamic coefficients derived from frequency domain boundary element methods. In this paper, the new modeling features introduced in the latest release of WEC-Sim will be presented. The first feature discussed is the conversion of the fluid memory kernel to a state-space approximation that provides significant gains in computational speed. The benefit of the state-space calculation becomes even greater after the hydrodynamic body-to-body coefficients are introduced as the number of interactions increases exponentially with the number of floating bodies. The final feature discussed is the capability toadd Morison elements to provide additional hydrodynamic damping and inertia. This is generally used as a tuning feature, because performance is highly dependent on the chosen coefficients. In this paper, a review of the hydrodynamic theory for each of the features is provided and successful implementation is verified using test cases.

  14. Theoretical study on electronic structure of bathocuproine: Renormalization of the band gap in the crystalline state and the large exciton binding energy

    NASA Astrophysics Data System (ADS)

    Yanagisawa, Susumu; Hatada, Shin-No-Suke; Morikawa, Yoshitada

    Bathocuproine (BCP) is a promising organic material of a hole blocking layer in organic light-emitting diodes or an electron buffer layer in organic photovoltaic cells. The nature of the unoccupied electronic states is a key characteristic of the material, which play vital roles in the electron transport. To elucidate the electronic properties of the molecular or crystalline BCP, we use the GW approximation for calculation of the fundamental gap, and the long-range corrected density functional theory for the molecular optical absorption. It is found that the band gap of the BCP single crystal is 4.39 eV, and it is in agreement with the recent low-energy inverse photoemission spectroscopy measurement. The polarization energy is estimated to be larger than 1 eV, demonstrating the large polarization effects induced by the electronic clouds surrounding the injected charge. The theoretical optical absorption energy is 3.68 eV, and the exciton binding energy is estimated to be 0.71 eV, implying the large binding in the eletron-hole pair distributed around the small part of the molecular region. This work was supported by the Grants-in-Aid for Young Scientists (B) (No. 26810009), and for Scientific Research on Innovative Areas ``3D Active-Site Science'' (No. 26105011) from Japan Society for the Promotion of Science.

  15. Gamma-Ray Bursts in the One of the Last Frontiers: the 10-100 GeV Energy Band

    NASA Astrophysics Data System (ADS)

    Tam, P. H. Thomas

    2016-07-01

    Thanks to many space-borne detectors such as the Swift and Fermi satellites and numerous ground-based followed-up telescopes, gamma-ray bursts (GRBs) are now quickly covered in virtually every wavelength in the electromagnetic spectrum. Covering the energy range above 30 MeV, the Fermi-LAT has seen more than a hundred GRBs and have seen tens of photons above 10 GeV from several bright GRBs, limited by its collective area. In this talk, I will review recent GRB observations at >10 GeV up to nearly a day after the burst, including that of GRB 130427A and some recent GRBs, and discuss the corresponding radiation mechanisms in the afterglow at these energies.

  16. Integrated Autopilot/Autothrottle Based on a Total Energy Control Concept: Design and Evaluation of Additional Autopilot Modes

    NASA Technical Reports Server (NTRS)

    Bruce, Kevin R.

    1988-01-01

    An integrated autopilot/autothrottle system was designed using a total energy control design philosophy. This design ensures that the system can differentiate between maneuvers requiring a change in thrust to accomplish a net energy change, and those maneuvers which only require elevator control to redistribute energy. The system design, the development of the system, and a summary of simulation results are defined.

  17. The effect of the band edges on the Seebeck coefficient.

    PubMed

    Sonntag, Joachim

    2010-06-16

    The classical thermopower formulae generally applied for the calculation of the Seebeck coefficient S are argued to be incomplete. S can be separated into two different contributions, a scattering term, S(0), and a thermodynamic term, ΔS, representing the additional change of the electrochemical potential μ with temperature T caused by 'non-scattering' effects, for instance, the band edge shift with T. On the basis of this separation into S(0) and ΔS, it is shown that shifts of the band edges with T lead to an additional contribution to the classical thermopower formulae. This separation provides the basis for an interpretation of positive thermopowers measured for many metals. Positive thermopower is expected if the energy of the conduction band edge increases with T and if this effect overcompensates for the influence of the energy dependent conductivity, σ(E). Using experimental thermopower data, the band edge shifts are determined for a series of liquid normal metals.

  18. Strong Energy-momentum Dispersion of Phonon Dressed Carriers in the Lightly Doped Band Insulator SrTiO3

    SciTech Connect

    Meevasana, Warawat

    2010-05-26

    Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is the perovskite SrTiO{sub 3} (STO), well known for its giant dielectric constant of 10000 at low temperature, exceeding that of La{sub 2}CuO{sub 4} by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped SrTiO{sub 3}. Comparing to lightly doped Mott insulators, we find the signatures of only moderate electron-phonon coupling: a dispersion anomaly associated with the low frequency optical phonon with a {lambda}{prime} {approx} 0.3 and an overall bandwidth renormalization suggesting an overall {lambda}{prime} {approx} 0.7 coming from the higher frequency phonons. Further, we find no clear signatures of the large pseudogap or small polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

  19. Gibbs energy additivity approaches to QSRR in generating gas chromatographic retention time for identification of fatty acid methyl ester.

    PubMed

    Pojjanapornpun, Siriluck; Aryusuk, Kornkanok; Lilitchan, Supathra; Krisnangkura, Kanit

    2017-02-06

    The Gibbs energy additivity method was used to correlate the retention time (t R) of common fatty acid methyl esters (FAMEs) to their chemical structures. The t R of 20 standard FAMEs eluted from three capillary columns of different polarities (ZB-WAXplus, BPX70, and SLB-IL111) under both isothermal gas chromatography and temperature-programmed gas chromatography (TPGC) conditions were accurately predicted. Also, the predicted t R of FAMEs prepared from flowering pak choi seed oil obtained by multistep TPGC with the BPX70 column were within 1.0% of the experimental t R. The predicted t R or mathematical t R (t R(math)) values could possibly be used as references in identification of common FAMEs. Hence, FAMEs prepared from horse mussel and fish oil capsules were chromatographed on the BPX70 and ZB-WAXplus columns in single-step and multistep TPGC. Identification was done by comparison of t R with the t R of standard FAMEs and with t R(math). Both showed correct identifications. The proposed model has six numeric constants. Five of six could be directly transferred to other columns of the same stationary phase. The first numeric constant (a), which contained the column phase ratio, could also be transferred with the adjustment of the column phase ratio to the actual phase ratio of the transferred column. Additionally, the numeric constants could be transferred across laboratories, with similar correction of the first numeric constant. The TPGC t R predicted with the transferred column constants were in good agreement with the reported experimental t R of FAMEs. Moreover, hexane was used in place of the conventional t M marker in the calculation. Hence, the experimental methods were much simplified and practically feasible. The proposed method for using t R(math) as the references would provide an alternative to the uses of real FAMEs as the references. It is simple and rapid and with good accuracy compared with the use of experimental t R as references.

  20. On the additional information content of hyperspectral remote sensing data for estimating ecosystem carbon dioxde and energy exchange

    NASA Astrophysics Data System (ADS)

    Wohlfahrt, Georg; Hammerle, Albin; Tomelleri, Enrico

    2015-04-01

    Radiation reflected back from an ecosystem carries a spectral signature resulting from the interaction of radiation with the vegetation canopy and the underlying soil and thus allows drawing conclusions about the structure and functioning of an ecosystem. When this information is linked to a model of the leaf CO2 exchange, the ecosystem-scale CO2 exchange can be simulated. A well-known and very simplistic example for this approach is the light-use efficiency (LUE) model proposed by Monteith which links the flux of absorbed photosynthetically active radiation times a LUE parameter, both of which may be estimated based on remote sensing data, to predict the ecosystem gross photosynthesis. Here we explore the ability of a more elaborate approach by using near-surface remote sensing of hyperspectral reflected radiation, eddy covariance CO2 and energy flux measurements and a coupled radiative transfer and soil-vegetation-atmosphere-transfer (SVAT) model. Our main objective is to understand to what degree the joint assimilation of hyperspectral reflected radiation and eddy covariance flux measurements into the model helps to better constrain model parameters. To this end we use the SCOPE model, a combination of the well-known PROSAIL model and a SVAT model, and the Bayesian inversion algorithm DREAM. In order to explicitly link reflectance in the visible light and the leaf CO2 exchange, a novel parameterisation of the maximum carboxylation capacity parameter (Vcmax) on the leaf a+b chlorophyll content parameter of PROSAIL is introduced. Results are discussed with respect to the additional information content the hyperspectral data yield for simulating canopy photosynthesis.

  1. Fermi Observations of GRB 090510: A Short-Hard Gamma-ray Burst with an Additional, Hard Power-law Component from 10 keV TO GeV Energies

    NASA Astrophysics Data System (ADS)

    Ackermann, M.; Asano, K.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Baring, M. G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.; Berenji, B.; Bhat, P. N.; Bissaldi, E.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Borgland, A. W.; Bouvier, A.; Bregeon, J.; Brez, A.; Briggs, M. S.; Brigida, M.; Bruel, P.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Caraveo, P. A.; Carrigan, S.; Casandjian, J. M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chiang, J.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Connaughton, V.; Conrad, J.; Dermer, C. D.; de Palma, F.; Dingus, B. L.; Silva, E. do Couto e.; Drell, P. S.; Dubois, R.; Dumora, D.; Farnier, C.; Favuzzi, C.; Fegan, S. J.; Finke, J.; Focke, W. B.; Frailis, M.; Fukazawa, Y.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giglietto, N.; Giordano, F.; Glanzman, T.; Godfrey, G.; Granot, J.; Grenier, I. A.; Grondin, M.-H.; Grove, J. E.; Guiriec, S.; Hadasch, D.; Harding, A. K.; Hays, E.; Horan, D.; Hughes, R. E.; Jóhannesson, G.; Johnson, W. N.; Kamae, T.; Katagiri, H.; Kataoka, J.; Kawai, N.; Kippen, R. M.; Knödlseder, J.; Kocevski, D.; Kouveliotou, C.; Kuss, M.; Lande, J.; Latronico, L.; Lemoine-Goumard, M.; Llena Garde, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Makeev, A.; Mazziotta, M. N.; McEnery, J. E.; McGlynn, S.; Meegan, C.; Mészáros, P.; Michelson, P. F.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Monte, C.; Monzani, M. E.; Moretti, E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakajima, H.; Nakamori, T.; Nolan, P. L.; Norris, J. P.; Nuss, E.; Ohno, M.; Ohsugi, T.; Omodei, N.; Orlando, E.; Ormes, J. F.; Ozaki, M.; Paciesas, W. S.; Paneque, D.; Panetta, J. H.; Parent, D.; Pelassa, V.; Pepe, M.; Pesce-Rollins, M.; Piron, F.; Preece, R.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Ritz, S.; Rodriguez, A. Y.; Roth, M.; Ryde, F.; Sadrozinski, H. F.-W.; Sander, A.; Scargle, J. D.; Schalk, T. L.; Sgrò, C.; Siskind, E. J.; Smith, P. D.; Spandre, G.; Spinelli, P.; Stamatikos, M.; Stecker, F. W.; Strickman, M. S.; Suson, D. J.; Tajima, H.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Thompson, D. J.; Tibaldo, L.; Toma, K.; Torres, D. F.; Tosti, G.; Tramacere, A.; Uchiyama, Y.; Uehara, T.; Usher, T. L.; van der Horst, A. J.; Vasileiou, V.; Vilchez, N.; Vitale, V.; von Kienlin, A.; Waite, A. P.; Wang, P.; Wilson-Hodge, C.; Winer, B. L.; Wu, X. F.; Yamazaki, R.; Yang, Z.; Ylinen, T.; Ziegler, M.

    2010-06-01

    We present detailed observations of the bright short-hard gamma-ray burst GRB 090510 made with the Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT) on board the Fermi observatory. GRB 090510 is the first burst detected by the LAT that shows strong evidence for a deviation from a Band spectral fitting function during the prompt emission phase. The time-integrated spectrum is fit by the sum of a Band function with E peak = 3.9 ± 0.3 MeV, which is the highest yet measured, and a hard power-law component with photon index -1.62 ± 0.03 that dominates the emission below ≈20 keV and above ≈100 MeV. The onset of the high-energy spectral component appears to be delayed by ~0.1 s with respect to the onset of a component well fit with a single Band function. A faint GBM pulse and a LAT photon are detected 0.5 s before the main pulse. During the prompt phase, the LAT detected a photon with energy 30.5+5.8 -2.6 GeV, the highest ever measured from a short GRB. Observation of this photon sets a minimum bulk outflow Lorentz factor, Γgsim 1200, using simple γγ opacity arguments for this GRB at redshift z = 0.903 and a variability timescale on the order of tens of ms for the ≈100 keV-few MeV flux. Stricter high confidence estimates imply Γ >~ 1000 and still require that the outflows powering short GRBs are at least as highly relativistic as those of long-duration GRBs. Implications of the temporal behavior and power-law shape of the additional component on synchrotron/synchrotron self-Compton, external-shock synchrotron, and hadronic models are considered.

  2. Toward Revealing the Critical Role of Perovskite Coverage in Highly Efficient Electron-Transport Layer-Free Perovskite Solar Cells: An Energy Band and Equivalent Circuit Model Perspective.

    PubMed

    Huang, Like; Xu, Jie; Sun, Xiaoxiang; Du, Yangyang; Cai, Hongkun; Ni, Jian; Li, Juan; Hu, Ziyang; Zhang, Jianjun

    2016-04-20

    Currently, most efficient perovskite solar cells (PVKSCs) with a p-i-n structure require simultaneously electron transport layers (ETLs) and hole transport layers (HTLs) to help collecting photogenerated electrons and holes for obtaining high performance. ETL free planar PVKSC is a relatively new and simple structured solar cell that gets rid of the complex and high temperature required ETL (such as compact and mesoporous TiO2). Here, we demonstrate the critical role of high coverage of perovskite in efficient ETL free PVKSCs from an energy band and equivalent circuit model perspective. From an electrical point of view, we confirmed that the low coverage of perovskite does cause localized short circuit of the device. With coverage optimization, a planar p-i-n(++) device with a power conversion efficiency of over 11% was achieved, implying that the ETL layer may not be necessary for an efficient device as long as the perovskite coverage is approaching 100%.

  3. Aluminum doping tunes band gap energy level as well as oxidative stress-mediated cytotoxicity of ZnO nanoparticles in MCF-7 cells

    PubMed Central

    Akhtar, Mohd Javed; Alhadlaq, Hisham A.; Alshamsan, Aws; Majeed Khan, M.A.; Ahamed, Maqusood

    2015-01-01

    We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of AlxZn1-xO nanocrystals with the size range of 33–55 nm. Al-doping increased the band gap energy of ZnO nanoparticles (from 3.51 eV for pure to 3.87 eV for Al-doped ZnO). Al-doping also enhanced the cytotoxicity and oxidative stress response of ZnO nanoparticles in MCF-7 cells. The IC50 for undoped ZnO nanoparticles was 44 μg/ml while for the Al-doped ZnO counterparts was 31 μg/ml. Up-regulation of apoptotic genes (e.g. p53, bax/bcl2 ratio, caspase-3 & caspase-9) along with loss of mitochondrial membrane potential suggested that Al-doped ZnO nanoparticles induced apoptosis in MCF-7 cells through mitochondrial pathway. Importantly, Al-doping did not change the benign nature of ZnO nanoparticles towards normal cells suggesting that Al-doping improves the selective cytotoxicity of ZnO nanoparticles toward MCF-7 cells without affecting the normal cells. Our results indicated a novel approach through which the inherent selective cytotoxicity of ZnO nanoparticles against cancer cells can be further improved. PMID:26347142

  4. Aluminum doping tunes band gap energy level as well as oxidative stress-mediated cytotoxicity of ZnO nanoparticles in MCF-7 cells.

    PubMed

    Akhtar, Mohd Javed; Alhadlaq, Hisham A; Alshamsan, Aws; Majeed Khan, M A; Ahamed, Maqusood

    2015-09-08

    We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of Al(x)Zn(1-x)O nanocrystals with the size range of 33-55 nm. Al-doping increased the band gap energy of ZnO nanoparticles (from 3.51 eV for pure to 3.87 eV for Al-doped ZnO). Al-doping also enhanced the cytotoxicity and oxidative stress response of ZnO nanoparticles in MCF-7 cells. The IC50 for undoped ZnO nanoparticles was 44 μg/ml while for the Al-doped ZnO counterparts was 31 μg/ml. Up-regulation of apoptotic genes (e.g. p53, bax/bcl2 ratio, caspase-3 &caspase-9) along with loss of mitochondrial membrane potential suggested that Al-doped ZnO nanoparticles induced apoptosis in MCF-7 cells through mitochondrial pathway. Importantly, Al-doping did not change the benign nature of ZnO nanoparticles towards normal cells suggesting that Al-doping improves the selective cytotoxicity of ZnO nanoparticles toward MCF-7 cells without affecting the normal cells. Our results indicated a novel approach through which the inherent selective cytotoxicity of ZnO nanoparticles against cancer cells can be further improved.

  5. Aluminum doping tunes band gap energy level as well as oxidative stress-mediated cytotoxicity of ZnO nanoparticles in MCF-7 cells

    NASA Astrophysics Data System (ADS)

    Akhtar, Mohd Javed; Alhadlaq, Hisham A.; Alshamsan, Aws; Majeed Khan, M. A.; Ahamed, Maqusood

    2015-09-01

    We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of AlxZn1-xO nanocrystals with the size range of 33-55 nm. Al-doping increased the band gap energy of ZnO nanoparticles (from 3.51 eV for pure to 3.87 eV for Al-doped ZnO). Al-doping also enhanced the cytotoxicity and oxidative stress response of ZnO nanoparticles in MCF-7 cells. The IC50 for undoped ZnO nanoparticles was 44 μg/ml while for the Al-doped ZnO counterparts was 31 μg/ml. Up-regulation of apoptotic genes (e.g. p53, bax/bcl2 ratio, caspase-3 & caspase-9) along with loss of mitochondrial membrane potential suggested that Al-doped ZnO nanoparticles induced apoptosis in MCF-7 cells through mitochondrial pathway. Importantly, Al-doping did not change the benign nature of ZnO nanoparticles towards normal cells suggesting that Al-doping improves the selective cytotoxicity of ZnO nanoparticles toward MCF-7 cells without affecting the normal cells. Our results indicated a novel approach through which the inherent selective cytotoxicity of ZnO nanoparticles against cancer cells can be further improved.

  6. Decay of superdeformed bands

    SciTech Connect

    Carpenter, M.P.; Khoo, T.L.; Lauritsen, T.

    1995-12-31

    One of the major challenges in the study of superdeformation is to directly connect the large number of superdeformed bands now known to the yrast states. In this way, excitation energies, spins and parities can be assigned to the levels in the second well which is essential to establish the collective and single-particle components of these bands. This paper will review some of the progress which has been made to understand the decay of superdeformed bands using the new arrays including the measurement of the total decay spectrum and the establishment of direct one-step decays from the superdeformed band to the yrast line in {sup 194}Hg. 42 refs., 5 figs.

  7. A figure of merit for blazar-like source identification in the gamma-ray energy band

    SciTech Connect

    Cavazzuti, Elisabetta; Pittori, Carlotta; Giommi, Paolo; Colafrancesco, Sergio

    2007-07-12

    The microwave to gamma-ray slope {alpha}{mu}{gamma} can be used as a viable figure of merit for blazar-like source identification in gamma-rays. Taking into account the constraints from the observed extragalactic gamma-ray background, one can estimate the maximum duty cycle allowed for a selected sample of low energy peaked (LBL) blazars, in order to be detectable for the nominal sensitivity values of AGILE and GLAST gamma-ray experiments. This work is based on the results of a recently derived blazar radio LogN-LogS obtained by combining several multi-frequency surveys. We present our estimates of duty cycle constraints applied on a sample composed by 146 high latitude and 74 medium latitude LBL blazars from the new WMAP3 yr catalog. Our results can be used as an indicator to identify good gamma-ray blazar candidates: sources with high values of duty cycle can in principle be detectable also in a ''steady'' state by AGILE and GLAST without over-predicting the extragalactic background.

  8. Band edge engineering of TiO2@DNA nanohybrids and implications for capacitive energy storage devices.

    PubMed

    Imani, Roghayeh; Pazoki, Meysam; Tiwari, Ashutosh; Boschloo, G; Turner, Anthony P F; Kralj-Iglič, V; Iglič, Aleš

    2015-06-21

    Novel mesoporous TiO2@DNA nanohybrid electrodes, combining covalently encoded DNA with mesoporous TiO2 microbeads using dopamine as a linker, were prepared and characterised for application in supercapacitors. Detailed information about donor density, charge transfer resistance and chemical capacitance, which have an important role in the performance of an electrochemical device, were studied by electrochemical methods. The results indicated the improvement of electrochemical performance of the TiO2 nanohybrid electrode by DNA surface functionalisation. A supercapacitor was constructed from TiO2@DNA nanohybrids with PBS as the electrolyte. From the supercapacitor experiment, it was found that the addition of DNA played an important role in improving the specific capacitance (Cs) of the TiO2 supercapacitor. The highest Cs value of 8 F g(-1) was observed for TiO2@DNA nanohybrids. The nanohybrid electrodes were shown to be stable over long-term cycling, retaining 95% of their initial specific capacitance after 1500 cycles.

  9. Affinity and Specificity of Protein U1A-RNA Complex Formation Based on an Additive Component Free Energy Model

    PubMed Central

    Kormos, Bethany L.; Benitex, Yulia; Baranger, Anne M.; Beveridge, David L.

    2007-01-01

    Summary A MM-GBSA computational protocol was used successfully to account for wild type U1A-RNA and F56 U1A mutant experimental binding free energies. The trend in mutant binding free energies compared to wild type is well-reproduced. Following application of a linear-response-like equation to scale the various energy components, the binding free energies agree quantitatively with observed experimental values. Conformational adaptation contributes to the binding free energy for both the protein and the RNA in these systems. Small differences in ΔGs are the result of different and sometimes quite large relative contributions from various energetic components. Residual free energy decomposition indicates differences not only at the site of mutation, but throughout the entire protein. MM-GBSA and ab initio calculations performed on model systems suggest that stacking interactions may nearly, but not completely, account for observed differences in mutant binding affinities. This study indicates that there may be different underlying causes of ostensibly similar experimentally observed binding affinities of different mutants, and thus recommends caution in the interpretation of binding affinities and specificities purely by inspection. PMID:17603075

  10. Electronic band gaps and exciton binding energies in monolayer M oxW1 -xS2 transition metal dichalcogenide alloys probed by scanning tunneling and optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Rigosi, Albert F.; Hill, Heather M.; Rim, Kwang Taeg; Flynn, George W.; Heinz, Tony F.

    2016-08-01

    Using scanning tunneling spectroscopy (STS) and optical reflectance contrast measurements, we examine band-gap properties of single layers of transition metal dichalcogenide (TMDC) alloys: Mo S2 , M o0.5W0.5S2 , M o0.25W0.75S2 , M o0.1W0.9S2 , and W S2 . The quasiparticle band gap, spin-orbit separation of the excitonic transitions at the K /K' point in the Brillouin zone, and binding energies of the A exciton are extracted from STS and optical data. The exciton binding energies change roughly linearly with tungsten concentration. For our samples on an insulating substrate, we report quasiparticle band gaps from 2.17 ± 0.04 eV (Mo S2) to 2.38 ± 0.06 eV (W S2) , with A exciton binding energies ranging from 310 to 420 meV.

  11. Valence band anticrossing in highly mismatched alloys

    NASA Astrophysics Data System (ADS)

    Alberi, Kirstin Mclean

    Semiconductor alloys offer the ability to tune certain material parameters such as the band gap or carrier effective mass through precise control of the alloy composition, allowing them to be optimized for specific device requirements. While many alloys demonstrate near linear composition dependencies in these properties, those containing isoelectronic anion species that are significantly mismatched in electronegativity or ionization energy, known as highly mismatched alloys (HMA), exhibit substantial deviation from this trend. Here, the optical and electrical properties of HMAs containing dilute concentrations of large metallic anions are investigated in the context of a valence band anticrossing (VBAC) theory. Minority species with low ionization energies often introduce localized p-states near the valence band edge of the host semiconductor. Hybridization of these localized states with the extended p-states of the host may be described by a 12 x 12 Hamiltonian and produces a splitting of the alloy valence band into E+ and E - states. Photomodulated reflectance studies coupled with the VBAC theory confirm that the band gap bowing observed in GaSbxAs1-x and GaBixAs1-x is caused by an upward movement of the valence band edge as a result of the anticrossing interaction between the E+ and E- states. The valence band restructuring also adversely affects hole transport in these alloys through an increase in the heavy hole effective mass and the addition of an alloy disorder scattering mechanism. Finally, the VBAC theory has been extended to group IV HMAs as well as to the dilute magnetic semiconductor Ga1-x MnxAs, both of which exhibit strong hole localization at the minority species sites.

  12. Bandcrossing of magnetic rotation bands in Pr137

    NASA Astrophysics Data System (ADS)

    Agarwal, Priyanka; Kumar, Suresh; Singh, Sukhjeet; Sinha, Rishi Kumar; Dhal, Anukul; Muralithar, S.; Singh, R. P.; Madhavan, N.; Kumar, Rakesh; Bhowmik, R. K.; Malik, S. S.; Pancholi, S. C.; Chaturvedi, L.; Jain, H. C.; Jain, A. K.

    2007-08-01

    The odd mass nucleus Pr137 has been studied to high spins in order to investigate the magnetic rotation phenomenon in mass 130 region using the Sn122(F19,4n)Pr137 reaction at a beam energy of 80 MeV. A known ΔI=1 band has been extended to Jπ=47/2- with the addition of three new transitions. Directional Correlation of Oriented Nuclei (DCO) ratios and linear polarization measurements have been performed to assign the multipolarities of gamma transitions and the spins and parities of the energy levels in this band, now established as the M1 band. The combination of M1 transitions along with cross over E2 transitions have been observed in this band for the first time. The experimentally deduced B(M1)/B(E2) ratios show a decrease with increasing spin after band-crossing suggesting magnetic rotation. TAC calculations for the 3qp: πh11/2⊗ν(h11/2)-2 configuration reproduce the experimental observations in the lower spin part of the ΔI=1 band and the 5qp: πh11/2(g7/2)2⊗ν(h11/2)-2 configuration reproduces the ΔI=1 band at higher spins; the crossing of the bands based on the two configuration leads to a back-bending also. Theoretical calculations also support a magnetic rotation nature for both the configurations.

  13. Implications of Export/Import Reporting Requirements in the United States - International Atomic Energy Agency Safeguards Additional Protocol

    SciTech Connect

    Killinger, Mark H.; Benjamin, Eugene L.; McNair, Gary W.

    2001-02-20

    The United States has signed but not ratified the US/IAEA Safeguards Additional Protocol. If ratified, the Additional Protocol will require the US to report to the IAEA certain nuclear-related exports and imports to the IAEA. This document identifies and assesses the issues associated with the US making those reports. For example, some regulatory changes appear to be necessary. The document also attempts to predict the impact on the DOE Complex by assessing the historical flow of exports and imports that would be reportable if the Additional Protocol were in force.

  14. Superconductivity versus bound-state formation in a two-band superconductor with small Fermi energy: Applications to Fe pnictides/chalcogenides and doped SrTiO3

    NASA Astrophysics Data System (ADS)

    Chubukov, Andrey V.; Eremin, Ilya; Efremov, Dmitri V.

    2016-05-01

    We analyze the interplay between superconductivity and the formation of bound pairs of fermions (BCS-BEC crossover) in a 2D model of interacting fermions with small Fermi energy EF and weak attractive interaction, which extends to energies well above EF. The 2D case is special because a two-particle bound state forms at arbitrary weak interaction, and already at weak coupling, one has to distinguish between the bound-state formation and superconductivity. We briefly review the situation in the one-band model and then consider two different two-band models: one with one hole band and one electron band and another with two hole or two electron bands. In each case, we obtain the bound-state energy 2 E0 for two fermions in a vacuum and solve the set of coupled equations for the pairing gaps and the chemical potentials to obtain the onset temperature of the pairing Tins and the quasiparticle dispersion at T =0 . We then compute the superfluid stiffness ρs(T =0 ) and obtain the actual Tc. For definiteness, we set EF in one band to be near zero and consider different ratios of E0 and EF in the other band. We show that at EF≫E0 , the behavior of both two-band models is BCS-like in the sense that Tc≈Tins≪EF and Δ ˜Tc . At EF≪E0 , the two models behave differently: in the model with two hole/two electron bands, Tins˜E0/lnE/0EF , Δ ˜(E0EF) 1 /2 , and Tc˜EF , like in the one-band model. In between Tins and Tc, the system displays a preformed pair behavior. In the model with one hole and one electron bands, Tc remains of order Tins, and both remain finite at EF=0 and of the order of E0. The preformed pair behavior still does exist in this model because Tc is numerically smaller than Tins. For both models, we reexpress Tins in terms of the fully renormalized two-particle scattering amplitude by extending to the two-band case (the method pioneered by Gorkov and Melik-Barkhudarov back in 1961). We apply our results for the model with a hole and an electron band to

  15. Hydrogen radical additions to unsaturated hydrocarbons and the reverse beta-scission reactions: modeling of activation energies and pre-exponential factors.

    PubMed

    Sabbe, Maarten K; Reyniers, Marie-Françoise; Waroquier, Michel; Marin, Guy B

    2010-01-18

    The group additivity method for Arrhenius parameters is applied to hydrogen addition to alkenes and alkynes and the reverse beta-scission reactions, an important family of reactions in thermal processes based on radical chemistry. A consistent set of group additive values for 33 groups is derived to calculate the activation energy and pre-exponential factor for a broad range of hydrogen addition reactions. The group additive values are determined from CBS-QB3 ab-initio-calculated rate coefficients. A mean factor of deviation of only two between CBS-QB3 and experimental rate coefficients for seven reactions in the range 300-1000 K is found. Tunneling coefficients for these reactions were found to be significant below 400 K and a correlation accounting for tunneling is presented. Application of the obtained group additive values to predict the kinetics for a set of 11 additions and beta-scissions yields rate coefficients within a factor of 3.5 of the CBS-QB3 results except for two beta-scissions with severe steric effects. The mean factor of deviation with respect to experimental rate coefficients of 2.0 shows that the group additive method with tunneling corrections can accurately predict the kinetics and is at least as accurate as the most commonly used density functional methods. The constructed group additive model can hence be applied to predict the kinetics of hydrogen radical additions for a broad range of unsaturated compounds.

  16. Detection of the BL Lac object 1ES 1426+428 in the Very High Energy gamma-ray band by the CAT Telescope from 1998-2000

    NASA Astrophysics Data System (ADS)

    Djannati-Ataï, A.; Khelifi, B.; Vorobiov, S.; Bazer-Bachi, R.; Chounet, L. M.; Debiais, G.; Degrange, B.; Espigat, P.; Fabre, B.; Fontaine, G.; Goret, P.; Gouiffes, C.; Masterson, C.; Piron, F.; Punch, M.; Rivoal, M.; Rob, L.; Tavernet, J.-P.

    2002-08-01

    The BL Lac Object 1ES 1426+428, at a red-shift of z=0.129, has been monitored by the CAT telescope from February 1998 to June 2000. The accumulation of 26 h of observations shows a gamma -ray signal of 321 events above 250 GeV at 5.2 standard deviations, determined using data analysis cuts adapted to a weak, steep-spectrum source. The source emission has an average flux of Phidiff(400 GeV)= 6.73+/-1.27stat+/-1.45syst*E-11 cm-2 s-1 TeV-1, and a very steep spectrum, with a differential spectral index of gamma =-3.60 +/- 0.57 which can be refined to gamma =-3.66 +/- 0.41 using a higher flux data subset. If, as expected from its broad-band properties, the Very High Energy emission is hard at the source, these observations support a strong absorption effect of gamma-rays by the Intergalactic Infrared field.

  17. Study on optical energy band gap of SrBi2Ta2O9 thin films annealed in a H2-contained ambient

    NASA Astrophysics Data System (ADS)

    Wang, Dong-sheng; Yu, Tao; Wu, Di; Li, Ai-dong; Hu, An; Liu, Zhi-guo

    2010-08-01

    SrBi2Ta2O9 (SBT) thin films have been prepared on fused quartz substrates by using metalorgnic decomposition (MOD) method. X-ray diffraction (XRD) patterns show that films are polycrystalline in nature at annealing temperature of 750°C. The original optical energy band gap Eg obtained is about 4.57 eV. The changes of the Eg values of SBT films in H2-contained ambient (forming gas, 5%H2 + 95%N2) at different annealing temperature are investigated by measurement of optical transmittance. The reductive atmosphere and temperature exhibit strong effects on the Eg values and the roughness of SBT films. Some significant changes of Eg values for the films are observed at 450°C and 500°C in the forming gas ambient. The Eg values increase from 4.57eV to 4.81eV and 4.92eV, respectively. These results could be attributed to degradation of polarization of SBT films, which being induced by Bi deficiency. Forming gas ambient has played an important role in the reductive reaction.

  18. High-performance giant-magnetoresistance junctions based on the all-Heusler architecture with matched energy bands and Fermi surfaces

    NASA Astrophysics Data System (ADS)

    Bai, Zhaoqiang; Cai, Yongqing; Shen, Lei; Han, Guchang; Feng, Yuanping

    2013-04-01

    We present an all-Heusler architecture which could be used as a rational design scheme for achieving high spin-filter efficiency in the current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices. A Co2MnSi/Ni2NiSi/Co2MnSi trilayer stack is chosen as the prototype of such an architecture, of which the electronic structure and magnetotransport properties are systematically investigated by first principles approaches. Well matched energy bands and Fermi surfaces between the all-Heusler electrode-spacer pair are found, which, in combination with the electrode half-metallicity, indicate large bulk and interfacial spin-asymmetry, high spin-filter efficiency, and consequently good magnetoresistance performance. Transport calculations further confirm the superiority of the all-Heusler architecture over the conventional Heusler/transition-metal structure by comparing their transmission coefficients and interfacial resistances of parallel conduction electrons, as well as the macroscopic current-voltage characteristics. We suggest future theoretical and experimental efforts in developing high-performance all-Heusler CPP-GMR junctions for the read heads of the next generation high-density hard disk drives.

  19. Laparoscopic gastric banding

    MedlinePlus

    ... adjustable gastric banding; Bariatric surgery - laparoscopic gastric banding; Obesity - gastric banding; Weight loss - gastric banding ... gastric banding is not a "quick fix" for obesity. It will greatly change your lifestyle. You must ...

  20. Potlining Additives

    SciTech Connect

    Rudolf Keller

    2004-08-10

    In this project, a concept to improve the performance of aluminum production cells by introducing potlining additives was examined and tested. Boron oxide was added to cathode blocks, and titanium was dissolved in the metal pool; this resulted in the formation of titanium diboride and caused the molten aluminum to wet the carbonaceous cathode surface. Such wetting reportedly leads to operational improvements and extended cell life. In addition, boron oxide suppresses cyanide formation. This final report presents and discusses the results of this project. Substantial economic benefits for the practical implementation of the technology are projected, especially for modern cells with graphitized blocks. For example, with an energy savings of about 5% and an increase in pot life from 1500 to 2500 days, a cost savings of $ 0.023 per pound of aluminum produced is projected for a 200 kA pot.

  1. Test of {Delta}I = 2 staggering in the superdeformed bands of {sup 194}Hg

    SciTech Connect

    Kruecken, R.; Deleplanque, M.A.; Lee, I.Y.; Asztalos, S.

    1996-06-05

    The presence of {Delta}I = 2 staggering in the three known superdeformed bands of {sup 194}Hg has been reexamined in a new experiment with Gammasphere. A relative accuracy of better than 30 eV was achieved for most transition energies. No statistically significant oscillations in the transition energies were found for band 1 while staggering patterns were observed in bands 2 and 3. The statistical significance of the observed effects was analyzed. The patterns display some similarities with expectations based on a band crossing picture, even though such a picture cannot reproduce the observations in a straightforward way. No evidence was found for additional superdeformed bands in {sup 194}Hg which could account for possible band-crossings.

  2. The effects of polaronic mass and conduction band non-parabolicity on a donor binding energy under the simultaneous effect of pressure and temperature basing on the numerical FEM in a spherical quantum dot

    NASA Astrophysics Data System (ADS)

    Sali, A.; Kharbach, J.; Rezzouk, A.; Ouazzani Jamil, M.

    2017-04-01

    Basing on the numerical Finite Element Method (FEM), we have investigated the influences of polaronic mass and conduction band non-parabolicity on the binding energy of the ground state of an on-center hydrogenic donor impurity in a spherical GaAs / Ga1 - x AlxAs quantum dot structure. The calculations have been made with a realistic potential barrier height in the framework of the effective mass approximation including the combined effect of hydrostatic pressure and temperature. The donor binding energy is computed as a function of dot size, Al concentration x , hydrostatic pressure and temperature both in the absence and presence of polaronic mass and conduction band non-parabolicity effects. We have taken into account the electronic effective mass, dielectric constant, and conduction band offset between the dot and barriers varying with pressure and temperature. It has been found that the binding energy is strongly affected by the effect of polaronic mass and conduction band non-parabolicity for narrow quantum dot and large Al concentration x. The results show again that the donor binding energy increases linearly with the pressure in direct gap regime and its variation is larger for narrower dots only and drops slightly with the temperature. A good agreement is obtained with the existing literature values.

  3. Investigation of the oxidation states of Cu additive in colored borosilicate glasses by electron energy loss spectroscopy

    SciTech Connect

    Yang, Guang Cheng, Shaodong; Li, Chao; Ma, Chuansheng; Zhong, Jiasong; Xiang, Weidong; Wang, Zhao

    2014-12-14

    Three optically transparent colorful (red, green, and blue) glasses were synthesized by the sol-gel method. Nano-sized precipitates were found in scanning electron microscopy images. The precipitates were analyzed by transmission electron microscopy (TEM) and high resolution TEM. The measured lattice parameters of these precipitates were found to fit the metallic copper in red glass but deviate from single valenced Cu oxides in green and blue glasses. The chemistry of these nano-sized particles was confirmed by electron energy loss spectroscopy (EELS). By fitting the EELS spectra obtained from the precipitates with the linear combination of reference spectra from Cu reference compounds, the oxidation states of Cu in the precipitates have been derived. First principle calculations suggested that the Cu nano-particles, which are in the similar oxidation states as our measurement, would show green color in the visible light range.

  4. Ammonium Additives to Dissolve Lithium Sulfide through Hydrogen Binding for High-Energy Lithium-Sulfur Batteries.

    PubMed

    Pan, Huilin; Han, Kee Sung; Vijayakumar, M; Xiao, Jie; Cao, Ruiguo; Chen, Junzheng; Zhang, Jiguang; Mueller, Karl T; Shao, Yuyan; Liu, Jun

    2017-02-08

    In rechargeable Li-S batteries, the uncontrollable passivation of electrodes by highly insulating Li2S limits sulfur utilization, increases polarization, and decreases cycling stability. Dissolving Li2S in organic electrolyte is a facile solution to maintain the active reaction interface between electrolyte and sulfur cathode, and thus address the above issues. Herein, ammonium salts are demonstrated as effective additives to promote the dissolution of Li2S to 1.25 M in DMSO solvent at room temperature. NMR measurements show that the strong hydrogen binding effect of N-H groups plays a critical role in dissolving Li2S by forming complex ligands with S(2-) anions coupled with the solvent's solvating surrounding. Ammonium additives in electrolyte can also significantly improve the oxidation kinetics of Li2S, and therefore enable the direct use of Li2S as cathode material in Li-S battery system in the future. This provides a new approach to manage the solubility of lithium sulfides through cation coordination with sulfide anion.

  5. Ammonium Additives to Dissolve Lithium Sulfide through Hydrogen Binding for High-Energy Lithium–Sulfur Batteries

    SciTech Connect

    Pan, Huilin; Han, Kee Sung; Vijayakumar, M.; Xiao, Jie; Cao, Ruiguo; Chen, Junzheng; Zhang, Jiguang; Mueller, Karl T.; Shao, Yuyan; Liu, Jun

    2016-07-01

    In rechargeable Li-S batteries, the uncontrollable passivation of electrodes by highly insulating Li2S limits sulfur utilization, increases polarization and decreases cycling stability. Dissolving Li2S in organic electrolyte is a facile solution to maintain the active reaction interface between electrolyte and sulfur cathode, and thus address the above issues. Herein, ammonium salts are demonstrated as effective additives to promote the dissolution of Li2S to 1.25 M in DMSO solvent at room temperature. NMR measurements show that the strong hydrogen binding effect of N-H groups plays a critical role in dissolving Li2S by forming complex ligands with S2- anions coupled with the solvent’s solvating surrounding. Ammonium additives in electrolyte can also significantly improve the oxidation kinetics of Li2S, therefore enables the direct use of Li2S as cathode material in Li-S battery system in the future. This provides a new approach to manage the solubility of lithium sulfides through cation coordination with sulfide anion.

  6. Significant Reduction in NiO Band Gap Upon Formation of LixNi1-xO alloys: Applications To Solar Energy Conversion

    SciTech Connect

    Alidoust, Nima; Toroker, Maytal Caspary; Keith, John A.; Carter, Emily A.

    2013-11-21

    Long-term sustainable solar energy conversion relies on identifying economical and versatile semiconductor materials with appropriate band structures for photovoltaic and photocatalytic applications (e.g., band gaps of ~1.5–2.0 eV). Nickel oxide (NiO) is an inexpensive yet highly promising candidate. Its charge-transfer character may lead to longer carrier lifetimes needed for higher efficiencies, and its conduction band edge is suitable for driving hydrogen evolution via water-splitting. However, NiO’s large band gap (~4 eV) severely limits its use in practical applications. Our first-principles quantum mechanics calculations show band gaps dramatically decrease to ~2.0 eV when NiO is alloyed with Li2O. In this paper, we show that LixNi1-xO alloys (with x=0.125 and 0.25) are p-type semiconductors, contain states with no impurity levels in the gap and maintain NiO’s desirable charge-transfer character. Lastly, we show that the alloys have potential for photoelectrochemical applications, with band edges well-placed for photocatalytic hydrogen production and CO2 reduction, as well as in tandem dye-sensitized solar cells as a photocathode.

  7. The Torsion-Inversion-Bending Energy Levels in the S1( n, π*) Electronic State of Acetaldehyde . A High-Resolution Study of the Bands #7 to #20 in the Jet-Cooled Fluorescence Excitation Spectrum

    NASA Astrophysics Data System (ADS)

    Liu, Haisheng; Lim, Edward C.; Niño, Alfonso; Muñoz-Caro, Camelia; Judge, Richard H.; Moule, David C.

    1998-07-01

    The band assignments and analyses of the jet-cooled high-resolution laser-induced fluorescence excitation spectrum of acetaldehyde that results from theS1(n, π*) electronic state have been extended to +600 cm-1from the 000system origin. The new assignments start at Band #7 and finish at Band #21. Bands #8 and #9, originally assigned to 1420, have now been assigned to 1530. The assignments of the lower energy bands remain unaltered. The origins of the bands that involve the torsional modes ν15(v= 1 to 4) in combination with the wagging mode ν14(v= 1 and 2) and the ν10(v= 1) were determined by analyses with a rigid rotational Hamiltonian. These origins were fitted to a set of levels that were derived from a torsion-wagging-bending Hamiltonian that employed flexible large amplitude coordinates. The resulting potential surface was found to have barriers to torsion and inversion of 712.5 and 638.6 cm-1, respectively, with minima in the potential hypersurface at θ = 59.9° and α = 33.5° for the torsion and wagging coordinates.

  8. Partitioning of dietary energy of chickens fed maize- or wheat-based diets with and without a commercial blend of phytogenic feed additives.

    PubMed

    Pirgozliev, V; Beccaccia, A; Rose, S P; Bravo, D

    2015-04-01

    The aim of the study was to investigate the effects of a standardized mixture of a commercial blend of phytogenic feed additives containing 5% carvacrol, 3% cinnamaldehyde, and 2% capsicum on utilization of dietary energy and performance in broiler chickens. Four experimental diets were offered to the birds from 7 to 21 d of age. These included 2 basal control diets based on either wheat or maize that contained 215 g CP/kg and 12.13 MJ/kg ME and another 2 diets using the basal control diets supplemented with the plant extracts combination at 100 mg/kg diet. Each diet was fed to 16 individually penned birds following randomization. Dietary plant extracts improved feed intake and weight gain (P < 0.05) and slightly (P < 0.1) improved feed efficiency of birds fed the maize-based diet. Supplementary plant extracts did not change dietary ME (P > 0.05) but improved (P < 0.05) dietary NE by reducing the heat increment (P < 0.05) per kilogram feed intake. Feeding phytogenics improved (P < 0.05) total carcass energy retention and the efficiency of dietary ME for carcass energy retention. The number of interactions between type of diet and supplementary phytogenic feed additive suggest that the chemical composition and the energy to protein ratio of the diet may influence the efficiency of phytogenics when fed to chickens. The experiment showed that although supplementary phytogenic additives did not affect dietary ME, they caused a significant improvement in the utilization of dietary energy for carcass energy retention but this did not always relate to growth performance.

  9. Edge-assisted upper-bands coding techniques

    NASA Astrophysics Data System (ADS)

    Llados-Bernaus, Ramon; Stevenson, Robert L.

    1998-01-01

    This paper introduces a series of techniques aimed at facilitating the encoding of the upper bands of a subband decomposition. The fundamental idea behind these techniques is that the energy in the upper bands is concentrated around the discontinuities of the lower band. Therefore, for image compression the output of an edge detector applied on the lower band can be employed to locate the upper band pels with the largest amplitudes. Moreover, the percentage of pels declared as edges in each one of the upper bands can be interpreted as an additional degree of freedom in the definition of a subband compression scheme, in a similar way to the bit allocation between bands. The performance of the proposed techniques for various edge detectors and different filter banks is studied. We introduce an algorithm to distribute a given number of edge pels between the different upper bands in order to minimize the total distortion. A morphological operator is presented as a method to further increase the efficiency of the edge-based approach. The influence of the baseband distortion in the performance of the proposed techniques is also analyzed. Finally, we estimate the savings in transmitted bit rate of an edge based compression system with respect to traditional schemes.

  10. Band head spin assignment of superdeformed bands in 86Zr

    NASA Astrophysics Data System (ADS)

    Dadwal, Anshul; Mittal, H. M.

    2016-11-01

    Two parameter expressions for rotational spectra viz. variable moment of inertia (VMI), ab formula and three parameter Harris ω 2 expansion are used to assign the band head spins (I 0) of four rotational superdeformed bands in 86Zr. The least-squares fitting method is employed to obtain the band head spins of these four bands in the A ∼ 80 mass region. Model parameters are extracted by fitting of intraband γ-ray energies, so as to obtain a minimum root-mean-square (rms) deviation between the calculated and the observed transition energies. The calculated transition energies are found to depend sensitively on the assigned spins. Whenever an accurate band head spin is assigned, the calculated transition energies are in agreement with the experimental transition energies. The dynamic moment of inertia is also extracted and its variation with rotational frequency is investigated. Since a better agreement of band head spin with experimental results is found using the VMI model, it is a more powerful tool than the ab formula and Harris ω 2 expansion.

  11. Additive Manufacturing of AlSi10Mg Alloy Using Direct Energy Deposition: Microstructure and Hardness Characterization

    NASA Astrophysics Data System (ADS)

    Javidani, M.; Arreguin-Zavala, J.; Danovitch, J.; Tian, Y.; Brochu, M.

    2016-12-01

    This paper aims to study the manufacturing of the AlSi10Mg alloy with direct energy deposition (DED) process. Following fabrication, the macro- and microstructural evolution of the as-processed specimens was initially investigated using optical microscopy and scanning electron microscopy. Columnar dendritic structure was the dominant solidification feature of the deposit; nevertheless, detailed microstructural analysis revealed cellular morphology near the substrate and equiaxed dendrites at the top end of the deposit. Moreover, the microstructural morphology in the melt pool boundary of the deposit differed from the one in the core of the layers. The remaining porosity of the deposit was evaluated by Archimedes' principle and by image analysis of the polished surface. Crystallographic texture in the deposit was also assessed using electron backscatter diffraction and x-ray diffraction analysis. The dendrites were unidirectionally oriented at an angle of 80° to the substrate. EPMA line scans were performed to evaluate the compositional variation and elemental segregation in different locations. Eventually, microhardness (HV) tests were conducted in order to study the hardness gradient in the as-DED-processed specimen along the deposition direction. The presented results, which exhibited a deposit with an almost defect free structure, indicate that the DED process can suitable for the deposition of Al-Si-based alloys with a highly consolidated structure.

  12. Effect of Rashba and Dresselhaus interactions on the energy spectrum, chemical potential, addition energy and spin-splitting in a many-electron parabolic GaAs quantum dot in a magnetic field

    NASA Astrophysics Data System (ADS)

    Kumar, D. Sanjeev; Mukhopadhyay, Soma; Chatterjee, Ashok

    2016-11-01

    The effect of electron-electron interaction and the Rashba and Dresselhaus spin-orbit interactions on the electronic properties of a many-electron system in a parabolically confined quantum dot placed in an external magnetic field is studied. With a simple and physically reasonable model potential for electron-electron interaction term, the problem is solved exactly to second-order in the spin-orbit coupling constants to obtain the energy spectrum, the chemical potential, addition energy and the spin-splitting energy.

  13. Electronic properties of Janus silicene: new direct band gap semiconductors

    NASA Astrophysics Data System (ADS)

    Sun, Minglei; Ren, Qingqiang; Wang, Sake; Yu, Jin; Tang, Wencheng

    2016-11-01

    Using first-principles calculations, we propose a new class of materials, Janus silicene, which is silicene asymmetrically functionalized with hydrogen and halogen atoms. Formation energies and phonon dispersion indicated that all the Janus silicene systems exhibit good kinetic stability. As compared to silicane, all Janus silicene systems are direct band gap semiconductors. The band gap of Janus silicene can take any value between 1.91 and 2.66 eV by carefully tuning the chemical composition of the adatoms. In addition, biaxial elastic strain can further reduce the band gap to 1.11 eV (under a biaxial tensile strain up to 10%). According to moderate direct band gap, these materials demonstrate potential applications in optoelectronics, exhibiting a very wide spectral range, and they are expected to be highly stable under ambient conditions.

  14. Unusual Changes in Electronic Band-Edge Energies of the Nanostructured Transparent n-Type Semiconductor Zr-Doped Anatase TiO2 (Ti1-xZrxO2; x < 0.3).

    PubMed

    Mieritz, Daniel G; Renaud, Adèle; Seo, Dong-Kyun

    2016-07-05

    By the establishment of highly controllable synthetic routes, electronic band-edge energies of the n-type transparent semiconductor Zr-doped anatase TiO2 have been studied holistically for the first time up to 30 atom % Zr, employing powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, nitrogen gas sorption measurements, UV/vis spectroscopies, and Mott-Schottky measurements. The materials were produced through a sol-gel synthetic procedure that ensures good compositional homogeneity of the materials, while introducing nanoporosity in the structure, by achieving a mild calcination condition. Vegard's law was discovered among the homogeneous samples, and correlations were established between the chemical compositions and optical and electronic properties of the materials. Up to 20% Zr doping, the optical energy gap increases to 3.29 eV (vs 3.19 eV for TiO2), and the absolute conduction band-edge energy increases to -3.90 eV (vs -4.14 eV). The energy changes of the conduction band edge are more drastic than what is expected from the average electronegativities of the compounds, which may be due to the unnatural coordination environment around Zr in the anatase phase.

  15. Addition complex and insertion isomers on the potential energy surface of the reaction of indium dimer with water studied with relativistic ECP

    NASA Astrophysics Data System (ADS)

    Moc, Jerzy

    2013-10-01

    Stationary points on the lowest singlet and triplet In2 + H2O potential energy surfaces (PESs) have been explored using the coupled cluster method, including single and double excitations with perturbative triples (CCSD(T)), and the density functional theory (DFT), employing the effective core potential (ECP) for indium (In), which accounts for scalar relativistic effects, with the triple-zeta quality basis set. The CCSD(T) calculated binding energy and anharmonic ν2-bending mode frequency for the triplet ground-state addition complex, In2… OH2(3B1), are consistent with the complex detected in the matrix isolation infrared (IR) spectroscopic study under the thermal conditions. The two minimum energy crossing points between the triplet and the singlet PESs that have been located between the structures of In2…OH2 and the transition state for the O-H bond breakage are not likely to be thermally accessible under the low-temperature matrix conditions. With the CCSD(T)-calculated In2 + H2O reaction profile and anharmonic vibrational frequencies for several In2(H)(OH) insertion product isomers, we support the IR matrix isolation detection (by two experimental groups) of the lowest energy singlet double-bridged In(μ-H)(μ-OH)In isomer. For the proposed two-step mechanism of H2 elimination from the In2(H)(OH) species, the estimated energy barriers are also compatible with experiment.

  16. Quantitative study of band structure in BaTiO3 particles with vacant ionic sites

    NASA Astrophysics Data System (ADS)

    Oshime, Norihiro; Kano, Jun; Ikeda, Naoshi; Teranishi, Takashi; Fujii, Tatsuo; Ueda, Takeji; Ohkubo, Tomoko

    2016-10-01

    Levels of the conduction band minimum and the valence band maximum in ion-deficient BaTiO3 particles were investigated with optical band gap and ionization energy measurements. Though it is known that the quantification of the band structure in an insulator is difficult, due to the poor electrical conductivity of BaTiO3, systematic variation in the band energy levels was found that correlated with the introduction of vacancies. Photoelectron yield spectroscopy provided direct observation of the occupancy level of electrons, which is altered by the presence of oxygen and barium vacancies. In addition, the conduction band deviation from the vacuum level was determined by optical reflectance spectroscopy. Our results show that: (1) Introduction of oxygen vacancies forms a donor level below the conduction band. (2) The conduction band is shifted to a lower level by a larger number of oxygen vacancies, while the valence band also shifts to a lower level, due to the reduction in the density of O 2p orbitals. (3) Introduction of barium vacancies widens the band gap. Since barium vacancies can induce a small number of oxygen vacancies with accompanying charge compensation, this behavior suppresses any large formation of donor levels in the gap states, indicating that cation vacancies can control the number of both donor and acceptor levels.

  17. Energy band alignment of atomic layer deposited HfO{sub 2} oxide film on epitaxial (100)Ge, (110)Ge, and (111)Ge layers

    SciTech Connect

    Hudait, Mantu K.; Zhu Yan

    2013-03-21

    Crystallographically oriented epitaxial Ge layers were grown on (100), (110), and (111)A GaAs substrates by in situ growth process using two separate molecular beam epitaxy chambers. The band alignment properties of atomic layer hafnium oxide (HfO{sub 2}) film deposited on crystallographically oriented epitaxial Ge were investigated using x-ray photoelectron spectroscopy (XPS). Valence band offset, {Delta}E{sub v} values of HfO{sub 2} relative to (100)Ge, (110)Ge, and (111)Ge orientations were 2.8 eV, 2.28 eV, and 2.5 eV, respectively. Using XPS data, variation in valence band offset, {Delta}E{sub V}(100)Ge>{Delta}E{sub V}(111)Ge>{Delta}E{sub V}(110)Ge, was obtained related to Ge orientation. Also, the conduction band offset, {Delta}E{sub c} relation, {Delta}E{sub c}(110)Ge>{Delta}E{sub c}(111)Ge>{Delta}E{sub c}(100)Ge related to Ge orientations was obtained using the measured bandgap of HfO{sub 2} on each orientation and with the Ge bandgap of 0.67 eV. These band offset parameters for carrier confinement would offer an important guidance to design Ge-based p- and n-channel metal-oxide field-effect transistor for low-power application.

  18. Decay from the superdeformed bands in {sup 194}Hg

    SciTech Connect

    Henry, R.G.; Khoo, T.L.; Carpenter, M.P.

    1995-08-01

    Superdeformed bands in {sup 194}H g were studied using the early implementation of Gammasphere. The response functions for the Ge detectors were measured for the first time as part of this experiment. Experiments were performed with both a backed target (where the residue stopped in the Au backing) and a thin target (where the residue recoiled into vacuum). This will permit measurements of the decay times of the quasicontinuum {gamma}rays. The spectrum in coincidence with the yrast SD band in {sup 194}Hg reveals the same features as found in the quasicontinuum structure in {sup 192}Hg. These features include: statistical {gamma}rays feeding the SD band, a pronounced E2 peak from transitions feeding the SD band, a Ml/E2 bump at low energies that is associated with the last stages of feeding of the superdeformed band, and a quasicontinuous distribution from {gamma}rays linking SD and normal states, including a sizable clustering of strength around 1.7 MeV. The remarkable similarity of the spectra coincident with SD bands in {sup 192,194}Hg provides additional support for a statistical process for decay out of the SD states. This similarity contrasts with differences observed in the spectrum coincident with the SD band in the odd-even {sup 191}Hg, confirming the predictions about the role of pairing (in normal states) in influencing the shape of the decay-out spectrum.

  19. Mars Global Surveyor Ka-Band Frequency Data Analysis

    NASA Astrophysics Data System (ADS)

    Morabito, D.; Butman, S.; Shambayati, S.

    2000-01-01

    for the feed and electronics equipment. A dichroic plate is used to reflect the X-band energy and pass the Ka-band energy to another mirror. The RF energy for each band is then focused onto a feed horn and low-noise amplifier package. After amplification and RF/IF downconversion, the IF signals are sent to the Experimental Tone Tracker (ETT), a digital phase-lock-loop receiver, which simultaneously tracks both X-band and Ka-band carrier signals. Once a signal is detected, the ETT outputs estimates of the SNR in a I -Hz bandwidth (Pc/No), baseband phase and frequency of the signals every I -sec. Between December 1996 and December 1998, the Ka-band and X-band signals from MGS were tracked on a regular basis using the ETT. The Ka-band downlink frequencies described here were referenced to the spacecraft's on-board USO which was also the X-band frequency reference (fka= 3.8 fx). The ETT estimates of baseband phase at I -second sampled time tags were converted to sky frequency estimates. Frequency residuals were then generated for each band by removing a model frequency from each observable frequency at each time tag. The model included Doppler and other effects derived from spacecraft trajectory files obtained from the MGS Navigation Team. A simple troposphere correction was applied to the data. In addition to residuals, the USO frequencies emitted by the spacecraft were estimated. For several passes, the USO frequencies were determined from X-band data and from Ka-band data (referred to X-band by dividing by 3.8) and were found to be in good agreement. In addition, X-band USO frequency estimates from MGS Radio Science data acquired from operational DSN stations were available for comparison and were found to agree within the I Hz level. The remaining sub-Hertz differences were attributed to the different models and software algorithms used by MGS Radio Science and KaBLE-11. A summary of the results of a linear fit of the USO frequency versus time (day of year) is

  20. Mars Global Surveyor Ka-Band Frequency Data Analysis

    NASA Technical Reports Server (NTRS)

    Morabito, D.; Butman, S.; Shambayati, S.

    2000-01-01

    environment for the feed and electronics equipment. A dichroic plate is used to reflect the X-band energy and pass the Ka-band energy to another mirror. The RF energy for each band is then focused onto a feed horn and low-noise amplifier package. After amplification and RF/IF downconversion, the IF signals are sent to the Experimental Tone Tracker (ETT), a digital phase-lock-loop receiver, which simultaneously tracks both X-band and Ka-band carrier signals. Once a signal is detected, the ETT outputs estimates of the SNR in a I -Hz bandwidth (Pc/No), baseband phase and frequency of the signals every I -sec. Between December 1996 and December 1998, the Ka-band and X-band signals from MGS were tracked on a regular basis using the ETT. The Ka-band downlink frequencies described here were referenced to the spacecraft's on-board USO which was also the X-band frequency reference (f(sub ka)= 3.8 f(sub x)). The ETT estimates of baseband phase at I -second sampled time tags were converted to sky frequency estimates. Frequency residuals were then generated for each band by removing a model frequency from each observable frequency at each time tag. The model included Doppler and other effects derived from spacecraft trajectory files obtained from the MGS Navigation Team. A simple troposphere correction was applied to the data. In addition to residuals, the USO frequencies emitted by the spacecraft were estimated. For several passes, the USO frequencies were determined from X-band data and from Ka-band data (referred to X-band by dividing by 3.8) and were found to be in good agreement. In addition, X-band USO frequency estimates from MGS Radio Science data acquired from operational DSN stations were available for comparison and were found to agree within the I Hz level. The remaining sub-Hertz differences were attributed to the different models and software algorithms used by MGS Radio Science and KaBLE-11. A summary of the results of a linear fit of the USO frequency versus time (day of

  1. Obituary: David L. Band (1957-2009)

    NASA Astrophysics Data System (ADS)

    Cominsky, Lynn

    2011-12-01

    two new follow-up missions to CGRO, the Swift and Fermi observatories, Band seized an opportunity in 2001 to join the staff of the Fermi Science Support Center at the NASA Goddard Space Flight Center in Greenbelt Maryland. He was hired as the lead scientist for user support functions and to help to define and implement planning for the 2008 launch of the Fermi spacecraft. He brought a high level of energy and enthusiasm to the job, becoming in many ways the heart and soul of that organization. Neil Gehrels, the Goddard Astroparticle Physics Division Director and a Fermi deputy project scientist notes that "David was the perfect person for community support, with this outgoing personality and deep knowledge of astrophysics." Band also became an important member of the Fermi science team; despite his failing health, he actively contributed to the first Fermi gamma-ray burst publication as well as making important contributions to the burst detection and data analysis techniques. Additionally, Band was known as a great communicator and mentor. He supervised a PhD student at UCSD who has subsequently been appointed to a faculty position. At Goddard, Band was an integral part of the weekly scientific discussion groups within the gamma-ray astronomy group and he would always find the time to share his knowledge and expertise with new postdoctoral fellows and senior scientists alike. He was also involved with planning the EXIST mission, a candidate for a future NASA mission. He will be greatly missed by his many friends and colleagues within the Fermi mission and the high-energy astrophysics community.

  2. Theoretical characterization of the minimum energy path for hydrogen atom addition to N2 - Implications for the unimolecular lifetime of HN2

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Duchovic, Ronald J.; Rohlfing, Celeste Mcmichael

    1989-01-01

    Results are reported from CASSCF externally contracted CI ab initio computations of the minimum-energy path for the addition of H to N2. The theoretical basis and numerical implementation of the computations are outlined, and the results are presented in extensive tables and graphs and characterized in detail. The zero-point-corrected barrier for HN2 dissociation is estimated as 8.5 kcal/mol, and the lifetime of the lowest-lying quasi-bound vibrational state of HN2 is found to be between 88 psec and 5.8 nsec (making experimental observation of this species very difficult).

  3. DFT Conformation and Energies of Amylose Fragments at Atomic Resolution Part 2: “Band-flip” and “Kink” Forms of Alpha-Maltotetraose

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In Part 2 of this series of DFT optimization studies of '-maltotetraose, we present results at the B3LYP/6-311++G** level of theory for conformations denoted “band-flips” and “kinks”. Recent experimental X-ray studies have found examples of amylose fragments with conformations distorted from the us...

  4. Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration

    PubMed Central

    Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

    2016-01-01

    We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035

  5. Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration.

    PubMed

    Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

    2016-11-04

    We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.

  6. Band structure systematics and symmetries in even-even nuclei

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Cata-Danil, Gh.; Ivascu, M.; Ur, C. A.

    1993-07-01

    It is shown that the experimental in-band energy ratios for the even-even nuclei obey universal systematics similar to those observed by Mallmann for the quasiground band. Systematic correlations between energy ratios belonging to different bands are also found in certain cases. Finally, correlations between mixed energy ratios are shown to be useful in characterizing the evolution of the nulcear collectivity.

  7. Micmac Strategic Energy Planning Initiative

    SciTech Connect

    Fred Corey

    2007-02-02

    In February 2005 the Aroostook Band of Micmacs submitted a grant application to the U.S. Department of Energy’s (DOE) Tribal First Steps Program. The purpose of the application was to request funding and technical assistance to identify and document Tribal energy issues, develop a Tribal energy vision, evaluate potential energy opportunities, and to develop an action plan for future Tribal energy activities. The grant application was subsequently funded by DOE, and the Aroostook Band of Micmacs hired an energy consultant to assist with completion of the project. In addition to identification and documentation of Tribal energy issues, and the development of a Tribal energy vision, the potential for wind energy development on Tribal land, and residential energy efficiency issues were thoroughly evaluated.

  8. Effect of the addition of β-mannanase on the performance, metabolizable energy, amino acid digestibility coefficients, and immune functions of broilers fed different nutritional levels

    PubMed Central

    Ferreira, H. C.; Hannas, M. I.; Albino, L. F. T.; Rostagno, H. S.; Neme, R.; Faria, B. D.; Xavier, M. L.; Rennó, L. N.

    2016-01-01

    Three experiments were conducted to evaluate the effect of β-mannanase (BM) supplementation on the performance, metabolizable energy, amino acid digestibility, and immune function of broilers. A total of 1,600 broilers were randomly distributed in a 4 × 2 factorial arrangement (4 nutritional levels × 0 or 500 g/ton BM), with 10 replicates and 20 broilers per pen. The same design was used in the energy and digestibility experiments with 8 and 6 replicates, respectively, and 6 broilers per pen. The nutritional levels (NL) were formulated to meet the nutritional requirements of broilers (NL1); reductions of 100 kcal metabolizable energy (NL2); 3% of the total amino acids (NL3); and 100 kcal metabolizable energy and 3% total amino acids (NL4) from NL1. The serum immunoglobulin (Ig) concentration was determined in two broilers per pen, and these broilers were slaughtered to determine the relative weight of spleen, thymus, and bursa of Fabricius. Throughout the experiment, the lower nutritional levels reduced (P < 0.05) body weight gain (BWG) and increased (P < 0.05) feed conversion (FCR) for the NL4 treatment. The BM increased (P < 0.05) the BWG values and improved (P < 0.05) the FCR of the broilers. The apparent metabolizable energy corrected for nitrogen balance (AMEn) values were reduced (P < 0.05) for NL2 and NL3. The BM increased (P < 0.05) the AMEn values and reduced (P < 0.05) the excreted nitrogen. NL3 and NL4 reduced (P < 0.05) the true ileal digestibility coefficients (TIDc) of the amino acids cystine and glycine, and BM increased (P < 0.05) the TIDc for all amino acids. The addition of BM reduced (P < 0.05) the relative weights of the spleen and bursa. NL2 increased (P < 0.05) the Ig values, whereas BM reduced (P < 0.05) the serum IgA, IgG, and IgM values of the broilers. This study indicates that using suboptimal nutrient levels leads to losses in production parameters, whereas BM-supplemented diets were effective in improving performance, energy

  9. Effect of the addition of β-mannanase on the performance, metabolizable energy, amino acid digestibility coefficients, and immune functions of broilers fed different nutritional levels.

    PubMed

    Ferreira, H C; Hannas, M I; Albino, L F T; Rostagno, H S; Neme, R; Faria, B D; Xavier, M L; Rennó, L N

    2016-08-01

    Three experiments were conducted to evaluate the effect of β-mannanase BM: supplementation on the performance, metabolizable energy, amino acid digestibility, and immune function of broilers. A total of 1,600 broilers were randomly distributed in a 4 × 2 factorial arrangement (4 nutritional levels × 0 or 500 g/ton BM), with 10 replicates and 20 broilers per pen. The same design was used in the energy and digestibility experiments with 8 and 6 replicates, respectively, and 6 broilers per pen. The nutritional levels : NL : were formulated to meet the nutritional requirements of broilers : NL1 : ; reductions of 100 kcal metabolizable energy : NL2 : ; 3% of the total amino acids (NL3); and 100 kcal metabolizable energy and 3% total amino acids (NL4) from NL1. The serum immunoglobulin (Ig) concentration was determined in two broilers per pen, and these broilers were slaughtered to determine the relative weight of spleen, thymus, and bursa of Fabricius. Throughout the experiment, the lower nutritional levels reduced (P < 0.05) body weight gain : BWG : and increased (P < 0.05) feed conversion : FCR : for the NL4 treatment. The BM increased (P < 0.05) the BWG values and improved (P < 0.05) the FCR of the broilers. The apparent metabolizable energy corrected for nitrogen balance (AMEn) values were reduced (P < 0.05) for NL2 and NL3. The BM increased (P < 0.05) the AMEn values and reduced (P < 0.05) the excreted nitrogen. NL3 and NL4 reduced (P < 0.05) the true ileal digestibility coefficients (TIDc) of the amino acids cystine and glycine, and BM increased (P < 0.05) the TIDc for all amino acids. The addition of BM reduced (P < 0.05) the relative weights of the spleen and bursa. NL2 increased (P < 0.05) the Ig values, whereas BM reduced (P < 0.05) the serum IgA, IgG, and IgM values of the broilers. This study indicates that using suboptimal nutrient levels leads to losses in production parameters, whereas BM-supplemented diets were effective in improving performance

  10. Intrinsic evolutions of optical functions, band gap, and higher-energy electronic transitions in VO2 film near the metal-insulator transition region

    NASA Astrophysics Data System (ADS)

    Li, W. W.; Yu, Q.; Liang, J. R.; Jiang, K.; Hu, Z. G.; Liu, J.; Chen, H. D.; Chu, J. H.

    2011-12-01

    Transmittance spectra of (011) vanadium dioxide (VO2) film have been studied in the temperature range of 45-80 °C. Owing to increasing carrier concentration, the near-infrared extinction coefficient and optical conductivity around metal-insulator transition (MIT) rapidly increase with the temperature. Moreover, three electronic transitions can be uniquely assigned and show the hysteresis behavior near the MIT region. It was found that the optical band gap decreases from 0.457 to 0.042 eV before the MIT, then reduces to zero for the metal state. This confirms the fact that the a1g and egπ bands are moved close and finally overlap with the temperature.

  11. Camel-back band-induced power factor enhancement of thermoelectric lead-tellurium from Boltzmann transport calculations

    SciTech Connect

    Wang, X. G. Wang, L. Liu, J. Peng, L. M.

    2014-03-31

    Band structures of PbTe can be abnormally bended via dual-doping on both the cationic and anionic sites to form camel-back multivalley energy band structures near the band edge. As a result, additional carrier pockets and strong intervalley scattering of carriers are introduced. Boltzmann transport calculations indicate that their contradictory effects yield remarkably enhanced power factor due to the improved thermopower and almost unchanged electrical conductivity in low temperature and high carrier concentration ranges. These findings prove dual-doping-induced band bending as an effective approach to improve the thermoelectric properties of PbTe and other similar materials.

  12. Theory of band warping and its effects on thermoelectronic transport properties

    NASA Astrophysics Data System (ADS)

    Mecholsky, Nicholas A.; Resca, Lorenzo; Pegg, Ian L.; Fornari, Marco

    2014-04-01

    Optical and transport properties of materials depend heavily upon features of electronic band structures in proximity of energy extrema in the Brillouin zone (BZ). Such features are generally described in terms of multidimensional quadratic expansions and corresponding definitions of effective masses. Multidimensional quadratic expansions, however, are permissible only under strict conditions that are typically violated when energy bands become degenerate at extrema in the BZ. Even for energy bands that are nondegenerate at critical points in the BZ there are instances in which multidimensional quadratic expansions cannot be correctly performed. Suggestive terms such as "band warping," "fluted energy surfaces," or "corrugated energy surfaces" have been used to refer to such situations and ad hoc methods have been developed to treat them. While numerical calculations may reflect such features, a complete theory of band warping has not hitherto been developed. We define band warping as referring to band structures that do not admit second-order differentiability at critical points in k space and we develop a generally applicable theory, based on radial expansions, and a corresponding definition of angular effective mass. Our theory also accounts for effects of band nonparabolicity and anisotropy, which hitherto have not been precisely distinguished from, if not utterly confused with, band warping. Based on our theory, we develop precise procedures to evaluate band warping quantitatively. As a benchmark demonstration, we analyze the warping features of valence bands in silicon using first-principles calculations and we compare those with previous semiempirical models. As an application of major significance to thermoelectricity, we use our theory and angular effective masses to generalize derivations of tensorial transport coefficients for cases of either single or multiple electronic bands, with either quadratically expansible or warped energy surfaces. From that

  13. Optical band gaps of organic semiconductor materials

    NASA Astrophysics Data System (ADS)

    Costa, José C. S.; Taveira, Ricardo J. S.; Lima, Carlos F. R. A. C.; Mendes, Adélio; Santos, Luís M. N. B. F.

    2016-08-01

    UV-Vis can be used as an easy and forthright technique to accurately estimate the band gap energy of organic π-conjugated materials, widely used as thin films/composites in organic and hybrid electronic devices such as OLEDs, OPVs and OFETs. The electronic and optical properties, including HOMO-LUMO energy gaps of π-conjugated systems were evaluated by UV-Vis spectroscopy in CHCl3 solution for a large number of relevant π-conjugated systems: tris-8-hydroxyquinolinatos (Alq3, Gaq3, Inq3, Al(qNO2)3, Al(qCl)3, Al(qBr)3, In(qNO2)3, In(qCl)3 and In(qBr)3); triphenylamine derivatives (DDP, p-TTP, TPB, TPD, TDAB, m-MTDAB, NPB, α-NPD); oligoacenes (naphthalene, anthracene, tetracene and rubrene); oligothiophenes (α-2T, β-2T, α-3T, β-3T, α-4T and α-5T). Additionally, some electronic properties were also explored by quantum chemical calculations. The experimental UV-Vis data are in accordance with the DFT predictions and indicate that the band gap energies of the OSCs dissolved in CHCl3 solution are consistent with the values presented for thin films.

  14. Food additives

    PubMed Central

    Spencer, Michael

    1974-01-01

    Food additives are discussed from the food technology point of view. The reasons for their use are summarized: (1) to protect food from chemical and microbiological attack; (2) to even out seasonal supplies; (3) to improve their eating quality; (4) to improve their nutritional value. The various types of food additives are considered, e.g. colours, flavours, emulsifiers, bread and flour additives, preservatives, and nutritional additives. The paper concludes with consideration of those circumstances in which the use of additives is (a) justified and (b) unjustified. PMID:4467857

  15. Early decrease in dietary protein:energy ratio by fat addition and ontogenetic changes in muscle growth mechanisms of rainbow trout: short- and long-term effects.

    PubMed

    Alami-Durante, Hélène; Cluzeaud, Marianne; Duval, Carine; Maunas, Patrick; Girod-David, Virginia; Médale, Françoise

    2014-09-14

    As the understanding of the nutritional regulation of muscle growth mechanisms in fish is fragmentary, the present study aimed to (1) characterise ontogenetic changes in muscle growth-related genes in parallel to changes in muscle cellularity; (2) determine whether an early decrease in dietary protein:energy ratio by fat addition affects the muscle growth mechanisms of rainbow trout (Oncorhynchus mykiss) alevins; and (3) determine whether this early feeding of a high-fat (HF) diet to alevins had a long-term effect on muscle growth processes in juveniles fed a commercial diet. Developmental regulation of hyperplasia and hypertrophy was evidenced at the molecular (expression of myogenic regulatory factors, proliferating cell nuclear antigen and myosin heavy chains (MHC)) and cellular (number and diameter of white muscle fibres) levels. An early decrease in dietary protein:energy ratio by fat addition stimulated the body growth of alevins but led to a fatty phenotype, with accumulation of lipids in the anterior part, and less caudal muscle when compared at similar body weights, due to a decrease in both the white muscle hyperplasia and maximum hypertrophy of white muscle fibres. These HF diet-induced cellular changes were preceded by a very rapid down-regulation of the expression of fast-MHC. The present study also demonstrated that early dietary composition had a long-term effect on the subsequent muscle growth processes of juveniles fed a commercial diet for 3 months. When compared at similar body weights, initially HF diet-fed juveniles indeed had a lower mean diameter of white muscle fibres, a smaller number of large white muscle fibres, and lower expression levels of MyoD1 and myogenin. These findings demonstrated the strong effect of early feed composition on the muscle growth mechanisms of trout alevins and juveniles.

  16. Dual-source dual-energy CT with additional tin filtration: Dose and image quality evaluation in phantoms and in-vivo

    PubMed Central

    Primak, Andrew N.; Giraldo, Juan Carlos Ramirez; Eusemann, Christian D.; Schmidt, Bernhard; Kantor, B.; Fletcher, Joel G.; McCollough, Cynthia H.

    2010-01-01

    Purpose To investigate the effect on radiation dose and image quality of the use of additional spectral filtration for dual-energy CT (DECT) imaging using dual-source CT (DSCT). Materials and Methods A commercial DSCT scanner was modified by adding tin filtration to the high-kV tube, and radiation output and noise measured in water phantoms. Dose values for equivalent image noise were compared among DE-modes with and without tin filtration and single-energy (SE) mode. To evaluate DECT material discrimination, the material-specific DEratio for calcium and iodine were determined using images of anthropomorphic phantoms. Data were additionally acquired in 38 and 87 kg pigs, and noise for the linearly mixed and virtual non-contrast (VNC) images compared between DE-modes. Finally, abdominal DECT images from two patients of similar sizes undergoing clinically-indicated CT were compared. Results Adding tin filtration to the high-kV tube improved the DE contrast between iodine and calcium as much as 290%. Pig data showed that the tin filtration had no effect on noise in the DECT mixed images, but decreased noise by as much as 30% in the VNC images. Patient VNC-images acquired using 100/140 kV with added tin filtration had improved image quality compared to those generated with 80/140 kV without tin filtration. Conclusion Tin filtration of the high-kV tube of a DSCT scanner increases the ability of DECT to discriminate between calcium and iodine, without increasing dose relative to SECT. Furthermore, use of 100/140 kV tube potentials allows improved DECT imaging of large patients. PMID:20966323

  17. Band Structures of Plasmonic Polarons

    NASA Astrophysics Data System (ADS)

    Caruso, Fabio; Lambert, Henry; Giustino, Feliciano

    2015-03-01

    In angle-resolved photoemission spectroscopy (ARPES), the acceleration of a photo-electron upon photon absorption may trigger shake-up excitations in the sample, leading to the emission of phonons, electron-hole pairs, and plasmons, the latter being collective charge-density fluctuations. Using state-of-the-art many-body calculations based on the `GW plus cumulant' approach, we show that electron-plasmon interactions induce plasmonic polaron bands in group IV transition metal dichalcogenide monolayers (MoS2, MoSe2, WS2, WSe2). We find that the energy vs. momentum dispersion relations of these plasmonic structures closely follow the standard valence bands, although they appear broadened and blueshifted by the plasmon energy. Based on our results we identify general criteria for observing plasmonic polaron bands in the angle-resolved photoelectron spectra of solids.

  18. Engineering flat electronic bands in quasiperiodic and fractal loop geometries

    NASA Astrophysics Data System (ADS)

    Nandy, Atanu; Chakrabarti, Arunava

    2015-11-01

    Exact construction of one electron eigenstates with flat, non-dispersive bands, and localized over clusters of various sizes is reported for a class of quasi-one-dimensional looped networks. Quasiperiodic Fibonacci and Berker fractal geometries are embedded in the arms of the loop threaded by a uniform magnetic flux. We work out an analytical scheme to unravel the localized single particle states pinned at various atomic sites or over clusters of them. The magnetic field is varied to control, in a subtle way, the extent of localization and the location of the flat band states in energy space. In addition to this we show that an appropriate tuning of the field can lead to a re-entrant behavior of the effective mass of the electron in a band, with a periodic flip in its sign.

  19. Band structure of doubly-odd nuclei around mass 130

    SciTech Connect

    Higashiyama, Koji; Yoshinaga, Naotaka

    2011-05-06

    Nuclear structure of the doublet bands in the doubly-odd nuclei with mass A{approx}130 is studied in terms of a pair-truncated shell model. The model reproduces quite well the energy levels of the doublet bands and the electromagnetic transitions. The analysis of the electromagnetic transitions reveals new band structure of the doublet bands.

  20. Energy.

    ERIC Educational Resources Information Center

    Online-Offline, 1998

    1998-01-01

    This issue focuses on the theme of "Energy," and describes several educational resources (Web sites, CD-ROMs and software, videos, books, activities, and other resources). Sidebars offer features on alternative energy, animal energy, internal combustion engines, and energy from food. Subthemes include harnessing energy, human energy, and…

  1. The sensitivity of the electron transport within bulk zinc-blende gallium nitride to variations in the crystal temperature, the doping concentration, and the non-parabolicity coefficient associated with the lowest energy conduction band valley

    NASA Astrophysics Data System (ADS)

    Siddiqua, Poppy; O'Leary, Stephen K.

    2016-09-01

    Within the framework of a semi-classical three-valley Monte Carlo simulation approach, we analyze the steady-state and transient electron transport that occurs within bulk zinc-blende gallium nitride. In particular, we examine how the steady-state and transient electron transport that occurs within this material changes in response to variations in the crystal temperature, the doping concentration, and the non-parabolicity coefficient associated with the lowest energy conduction band valley. These results are then contrasted with those corresponding to a number of other compound semiconductors of interest.

  2. Come Join the Band

    ERIC Educational Resources Information Center

    Olson, Cathy Applefeld

    2011-01-01

    A growing number of students in Blue Springs, Missouri, are joining the band, drawn by a band director who emphasizes caring and inclusiveness. In the four years since Melissia Goff arrived at Blue Springs High School, the school's extensive band program has swelled. The marching band alone has gone from 100 to 185 participants. Also under Goff's…

  3. S-band and X-band integrated PWT photoelectron linacs

    NASA Astrophysics Data System (ADS)

    Yu, D.; Newsham, D.; Zeng, J.; Rosenzweig, J.

    2001-05-01

    A compact high-energy injector, which has been developed by DULY Research Inc., will have wide scientific, industrial, and medical applications. The new photoelectron injector integrates the photocathode directly into a multicell linear accelerator. By focusing the beam with solenoids or permanent magnets, and producing high current with low emittance, high brightness and low energy spread are achieved. In addition to providing a small footprint and improved beam quality in an integrated structure, the compact system considerably simplifies external subsystems required to operate the photoelectron linac, including rf power transport, beam focusing, vacuum and cooling. The photoelectron linac employs an innovative Plane-Wave-Transformer (PWT) design, which provides strong cell-to-cell coupling, relaxes manufacturing tolerances and facilitates the attachment of external ports to the compact structure with minimal field interference. DULY Research Inc. under the support of the DOE Small Business Innovation Research (SBIR) program, has developed, constructed and installed a 20-MeV, S-band compact electron source at UCLA. Cold test results for this device are presented. DULY Research is also actively engaged in the development of an X-band photoelectron linear accelerator in a SBIR project. When completed, the higher frequency structure will be approximately three times smaller. Design considerations for this device are discussed following the S-band cold test results.

  4. Development and Characterization of Intermediate-Band Quantum Wire Solar Cells

    NASA Astrophysics Data System (ADS)

    Furrow, Colin S.

    The effects of a quantum wire intermediate band, grown by molecular beam epitaxy, on the optical and electrical properties of solar cells are reported. To investigate the behavior of the intermediate band, the quantum wires were remotely doped at three different doping concentrations, the number of quantum wire layers was varied from three to twenty, and the solar cell structure was optimized. For all the structures, current-voltage and external quantum efficiency measurements were performed to examine the effect of absorption and power conversion of the intermediate band solar cell (IBSC). Time-resolved photoluminescence measurements showed that ?-doping can increase the lifetime of the excited electrons in the quantum wires. The quantum efficiency measurements revealed that the quantum wires extend the absorption spectrum in the infrared and produce a photocurrent by absorption of photons with energies below the GaAs band gap energy. In addition, the quantum wire intermediate band solar cell increased the solar conversion efficiency by 13.3% over the reference cell. An increase in the quantum efficiency was observed by increasing the number of quantum wire layers in the intermediate band. Furthermore, by optimizing the solar cell structure, the quantum efficiency and solar power conversion efficiency were substantially improved. Finally, temperature dependent current-voltage measurements reveal that the quantum wire intermediate band does not degrade the temperature sensitivity of the device. This research shows the potential for a quantum wire intermediate band as a viable option for creating higher efficiency solar cell devices.

  5. Mechanism of Gap Opening in a Triple-Band Peierls System: In Atomic Wires on Si

    NASA Astrophysics Data System (ADS)

    Ahn, J. R.; Byun, J. H.; Koh, H.; Rotenberg, E.; Kevan, S. D.; Yeom, H. W.

    2004-08-01

    One dimensional (1D) metals are unstable at low temperature undergoing a metal-insulator transition coupled with a periodic lattice distortion, a Peierls transition. Angle-resolved photoemission study for the 1D metallic chains of In on Si(111), featuring a metal-insulator transition and triple metallic bands, clarifies in detail how the multiple band gaps are formed at low temperature. In addition to the gap opening for a half-filled ideal 1D band with a proper Fermi surface nesting, two other quasi-1D metallic bands are found to merge into a single band, opening a unique but k-dependent energy gap through an interband charge transfer. This result introduces a novel gap-opening mechanism for a multiband Peierls system where the interband interaction is important.

  6. Observation of potassium-intercalated carbon nanotubes and their valence-band excitation spectra

    NASA Astrophysics Data System (ADS)

    Suzuki, S.; Tomita, M.

    1996-04-01

    Second-stage potassium-intercalated carbon nanotubes were synthesized in a specially designed ultrahigh vacuum analytical electron microscope and their valence-band excitation spectra in the region of the π+σ plasmon were measured by electron energy loss spectroscopy. The carbon nanostructures consisted of graphene sheets. Potassium was deposited in an ultrahigh vacuum at room temperature. As a result, a second stage of intercalated nanotubes was found to be formed close to the surface. The energy loss spectra of the intercalated nanotubes showed humps at about 16, 19, and 22 eV, in addition to those of unintercalated tubes. This suggests that intercalation modified the band structure of the interlayer bands and/or the σ(σ*) bands.

  7. A study on the energy bands of multi-quantum wells in the quantum cascade laser structure by deep-level transient spectroscopy

    NASA Astrophysics Data System (ADS)

    Kim, Jin Soak; Kim, Eun Kyu; Han, Il Ki; Song, Jin Dong; Lee, Jung Il; Lee, Sejoon; Shon, Yoon; Kim, D. Y.

    2006-08-01

    We have investigated the defect states and confined energy levels of three quantum wells (QWs) in the quantum cascade laser (QCL) structure by capacitance-voltage and deep-level transient spectroscopy methods. Defect states with activation energies in the range of 0.49-0.88 eV were obtained in the GaAs capping layer, and their origins were considered as EL3 and EL2 families, which are well-known deep levels of GaAs materials. The densities of these defects in the GaAs capping layer of the QCL structure were about 3-12% of the donor concentration. The confined energy levels of QWs showed activation energies of about 130 meV and 230 meV from the top of the AlGaAs barrier, and their carrier confinement ability was measured to be about 0.5% of the donor concentration.

  8. The effectiveness of power-generating complexes constructed on the basis of nuclear power plants combined with additional sources of energy determined taking risk factors into account

    NASA Astrophysics Data System (ADS)

    Aminov, R. Z.; Khrustalev, V. A.; Portyankin, A. V.

    2015-02-01

    The effectiveness of combining nuclear power plants equipped with water-cooled water-moderated power-generating reactors (VVER) with other sources of energy within unified power-generating complexes is analyzed. The use of such power-generating complexes makes it possible to achieve the necessary load pickup capability and flexibility in performing the mandatory selective primary and emergency control of load, as well as participation in passing the night minimums of electric load curves while retaining high values of the capacity utilization factor of the entire power-generating complex at higher levels of the steam-turbine part efficiency. Versions involving combined use of nuclear power plants with hydrogen toppings and gas turbine units for generating electricity are considered. In view of the fact that hydrogen is an unsafe energy carrier, the use of which introduces additional elements of risk, a procedure for evaluating these risks under different conditions of implementing the fuel-and-hydrogen cycle at nuclear power plants is proposed. Risk accounting technique with the use of statistical data is considered, including the characteristics of hydrogen and gas pipelines, and the process pipelines equipment tightness loss occurrence rate. The expected intensities of fires and explosions at nuclear power plants fitted with hydrogen toppings and gas turbine units are calculated. In estimating the damage inflicted by events (fires and explosions) occurred in nuclear power plant turbine buildings, the US statistical data were used. Conservative scenarios of fires and explosions of hydrogen-air mixtures in nuclear power plant turbine buildings are presented. Results from calculations of the introduced annual risk to the attained net annual profit ratio in commensurable versions are given. This ratio can be used in selecting projects characterized by the most technically attainable and socially acceptable safety.

  9. Food additives

    MedlinePlus

    ... or natural. Natural food additives include: Herbs or spices to add flavor to foods Vinegar for pickling ... Certain colors improve the appearance of foods. Many spices, as well as natural and man-made flavors, ...

  10. The energy band structure of A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors

    SciTech Connect

    Zabidi, Noriza A.; Azhan, Muhd. Z.; Rosli, A. N.; Shrivastava, Keshav N.

    2014-03-05

    We study the band structure of antiferromagnetic A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors by using first-principles electronic structure calculations which is density functional theory. In the vicinity of iron-vacancy, we identify the valence electrons of A{sub x}Fe{sub 2}Se{sub 2} will be filled up to the Fermi level and no semiconducting gap is observed. Hence, the A{sub x}Fe{sub 2}Se{sub 2} is a metallic instead of semiconducting which leads to superconductivity in the orbital-selective Mott phase. Similarly, there is non-vanishing density of states at the Fermi level.

  11. Energy band-gap shift with gamma-ray radiation and carbon n-delta-doping in GaAs/AlGaAs QWs structures

    NASA Astrophysics Data System (ADS)

    Daoudi, M.; Hosni, F.; Khalifa, N.; Dhifallah, I.; Farah, K.; Hamzaoui, A. H.; Ouerghi, A.; Chtourou, R.

    2014-05-01

    The aim of this work is to investigate two different delta-doping (silicon and carbon) after gamma irradiation. Delta-doping GaAs/AlGaAs heterojunctions grown by molecular beam epitaxy on (1 0 0) GaAs substrates have been studied by photoluminescence (PL) spectroscopy. A theoretical study was conducted using the resolution of Schrödinger and Poisson equations written within the Hartree approximation. PL measurements as function of the power excitation at 10 K shows a red-shift due to free carriers effect on properties of GaAs/AlGaAs quantum well (QW). Its dependence on the density of the two-dimensional electron gas (2DEG) at the GaAs/AlGaAs interface has been analyzed on the basis of the quantum confined Stark, the band-gap renormalization and Burstein-Moss (BM) effects. It is noted that the gamma radiation has changed the type of the exciton recombination.

  12. The energy band diagram and photovoltaic characteristic of nano p-AgInTe2/n-CdS{0.4}Se{0.6} heterojunction

    NASA Astrophysics Data System (ADS)

    El-Barry, A. M. A.

    2007-12-01

    Nano p-AgInTe{2}/n-CdS{0.4}Se{0.6} heterojunction was constructed. The dark current voltage characteristics of the prepared junction have been investigated in a temperature range from 303 to 423 K. The operating conduction mechanism was found to be Pool-Frenkel emission for T > 323 K and V < +0.8 volt. The supposed band diagram of p-AgInTe{2}/n-CdS{0.4}Se{0.6} heterojunction is exhibited. Analysis of the photovoltaic characteristic, at room temperature and under illumination of 2.7 W/m2, lead to the determination of some solar cell parameters, such as; the short circuit current, the open circuit voltage, the fill factor and the power conversion efficiency.

  13. Rotational bands in99Sr

    NASA Astrophysics Data System (ADS)

    Pfeiffer, B.; Monnand, E.; Pinston, J. A.; Münzel, J.; Möller, P.; Krumlinde, J.; Ziegert, W.; Kratz, K.-L.

    1984-02-01

    The β-decay of 59 ms99Rb has been studied at OSTIS. As is confirmed by RPA calculations with Nilsson model wave functions, the lowest energy levels in99Sr are consistent with rotational bands built on the [411 3/2], [413 5/2] and [422 3/2] Nilsson neutron configurations at 0, 423 and 1071 keV, respectively. All three bands have similar values of the inertial parameter ħ2/2θ indicating a nearly rigid rotor.

  14. Einstein coefficients for rotational lines of the (0,0) band of the NO A2sigma(+)-X2Pi system

    NASA Technical Reports Server (NTRS)

    Reisel, John R.; Carter, Campbell D.; Laurendeau, Normand M.

    1992-01-01

    A summary of the spectroscopic equations necessary for prediction of the molecular transition energies and the Einstein A and B coefficients for rovibronic lines of the gamma(0,0) band of nitric oxide (NO) is presented. The calculated molecular transition energies are all within 0.57/cm of published experimental values; in addition, over 95 percent of the calculated energies give agreement with measured results within 0.25/cm. Einstein coefficients are calculated from the band A00 value and the known Hoenl-London factors and are tabulated for individual rovibronic transitions in the NO A2sigma(+)-X2Pi(0,0) band.

  15. Simple Calculation of Power Conversion Efficiency of PC61BM and PC71 BM Based Organic Solar Cells--Good Agreement with Experiments in Donor Materials with Different Band Gap Energies.

    PubMed

    Otsura, Takanori; Nakatsuka, Emi; Nagase, Takashi; Kobayashi, Takashi; Naito, Hiroyoshi

    2016-04-01

    The power conversion efficiencies (PCEs) as a function of band gap energies and the lowest unoccupied molecular orbital (LUMO) levels of donor materials are studied in bulk-heterojunction organic solar cells (OSCs) fabricated from donor materials and fullerene acceptors. The PCEs of [6,6]-pheynl-C61-butyric acid methyl ester (PC61BM) and [6,6]-pheynl-C71-butyric acid methyl ester (PC71 BM) based OSCs blended with donor materials under the Air Mass 1.5 (AM1.5) spectrum are calculated. In the calculation, the short circuit current densities are determined by band gap energies of donor materials and the open circuit voltages are derived from the difference between the highest occupied molecular orbital (HOMO) levels of donor materials and LUMO levels of PC61BM and PC71 BM. The calculation is in good agreement with the experiments. The PCEs under a fluorescent lamp are also calculated. The calculated PCEs of PC71 BM based OSCs under a fluorescent lamp are higher than those under the AM1.5 spectrum by a factor of 2. The PCEs of thieno [3,4-b] thiophene and benzodithiophene (PTB7):PC71BM based OSCs are studied under the AM1.5 spectrum and a fluorescent lamp spectrum and are consistent with the calculation.

  16. Hopping theory of band-tail relaxation in disordered semiconductors

    NASA Astrophysics Data System (ADS)

    Grünewald, M.; Movaghar, B.; Pohlmann, B.; Würtz, D.

    1985-12-01

    Within a new theoretical approach the current and energy decay in amorphous semiconductors is studied. The relaxation of photoexcited carriers observed by transient photoconductivity experiments in amorphous silicon and chalcogenides can well be described by an algebraic power-law decay. The theoretical explanation is based on nonequilibrium hopping transport between localized states in a band tail. The theory reproduces the typical temperature dependence of the decay param- eter commonly explained within a multiple-trapping (MT) model. The observed deviations from the simple MT relation at low temperatures can be explained by the theory. Additionally, direct calculation of the energy relaxation reveals further insight into the dissipation process.

  17. Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

    SciTech Connect

    Peterman, D.J.

    1980-01-01

    Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH/sub 2/ and YH/sub 2/ were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH/sub 2/ cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 < x < 2.9 are presented which, as expected, indicate a more premature occupation of the octahedral sites in the larger LaH/sub 2/ lattice. These experimental results also suggest that, in contrast to recent calculations, LaH/sub 3/ is a small-band-gap semiconductor.

  18. The Oxygen a Band

    NASA Astrophysics Data System (ADS)

    Benner, D. Chris; Devi, V. Malathy; Hoo, Jiajun; Hodges, Joseph; Long, David A.; Sung, Keeyoon; Drouin, Brian; Okumura, Mitchio; Bui, Thinh Quoc; Rupasinghe, Priyanka

    2014-06-01

    The oxygen A band is used for numerous atmospheric experiments, but spectral line parameters that sufficiently describe the spectrum to the level required by OCO2 and other high precision/accuracy experiments are lacking. Fourier transform spectra from the Jet Propulsion Laboratory and cavity ring down spectra from the National Institute of Standards and Technology were fitted simultaneously using the William and Mary multispectrum nonlinear least squares fitting technique into a single solution including the entire band. In addition, photoacoustic spectra already available from the California Institute of Technology will be added to the solution. The three types of spectrometers are complementary allowing the strengths of each to fill in the weaknesses of the others. With this technique line positions, intensities, widths, shifts, line mixing, Dicke narrowing, temperature dependences and collision induced absorption have been obtained in a single physically consistent fit. D. Chris Benner, C. P. Rinsland, V. M. Devi, M. A. H. Smith, and D. Atkins, JQSRT 1995;53:705-21. Part of the research described in this paper was performed at The College of William and Mary, the, Jet Propulsion Laboratory, California Institute of Technology, under contracts and cooperative agreements with the National Aeronautics and Space Administration and the Jet Propulsion Laboratory. Support for the National Institute of Standards and Technology was provided by the NIST Greenhouse Gas Measurements and Climate Research Program and a NIST Innovations in Measurement Science (IMS) award.

  19. A Novel Ku-Band/Ka-Band and Ka-Band/E-Band Multimode Waveguide Couplers for Power Measurement of Traveling-Wave Tube Amplifier Harmonic Frequencies

    NASA Technical Reports Server (NTRS)

    Wintucky, Edwin G.; Simons, Rainee N.

    2015-01-01

    This paper presents the design, fabrication and test results for a novel waveguide multimode directional coupler (MDC). The coupler, fabricated from two dissimilar frequency band waveguides, is capable of isolating power at the second harmonic frequency from the fundamental power at the output port of a traveling-wave tube (TWT) amplifier. Test results from proof-of-concept demonstrations are presented for a Ku-band/Ka-band MDC and a Ka-band/E-band MDC. In addition to power measurements at harmonic frequencies, a potential application of the MDC is in the design of a satellite borne beacon source for atmospheric propagation studies at millimeter-wave (mm-wave) frequencies (Ka-band and E-band).

  20. Ultrafast Below-Band-Gap Laser Pulse Induced Relaxations in CdS Crystal

    NASA Astrophysics Data System (ADS)

    Shmelev, A. G.; Leontyev, A. V.; Nikiforov, V. G.; Ivanin, K. V.; Lobkov, V. S.; Khasanov, O. Kh; Samartsev, V. V.

    2015-05-01

    We report an experimental study of the intra- and interband transitions in bulk CdS crystal induced by a strong below-band-edge femtosecond laser pulse. An additional peak was observed in spectrally resolved four-wave mixing signal shifted to lower energy and positive time delay.

  1. Single-Band and Dual-Band Infrared Detectors

    NASA Technical Reports Server (NTRS)

    Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)

    2015-01-01

    Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.

  2. C{sub 6}H{sub 6}/Au(111): Interface dipoles, band alignment, charging energy, and van der Waals interaction

    SciTech Connect

    Abad, E.; Martinez, J. I.; Flores, F.; Ortega, J.; Dappe, Y. J.

    2011-01-28

    We analyze the benzene/Au(111) interface taking into account charging energy effects to properly describe the electronic structure of the interface and van der Waals interactions to obtain the adsorption energy and geometry. We also analyze the interface dipoles and discuss the barrier formation as a function of the metal work-function. We interpret our DFT calculations within the induced density of interface states (IDIS) model. Our results compare well with experimental and other theoretical results, showing that the dipole formation of these interfaces is due to the charge transfer between the metal and benzene, as described in the IDIS model.

  3. Adjustable gastric banding (image)

    MedlinePlus

    ... normal digestive process. In this procedure, a hollow band made of special material is placed around the ... pouch and causes a feeling of fullness. The band can be tightened or loosened over time to ...

  4. Band terminations in density functional theory

    SciTech Connect

    Afanasjev, A. V.

    2008-11-15

    The analysis of the terminating bands has been performed in the relativistic mean field framework. It was shown that nuclear magnetism provides an additional binding to the energies of the specific configuration and this additional binding increases with spin and has its maximum exactly at the terminating state. This suggests that the terminating states can be an interesting probe of the time-odd mean fields provided that other effects can be reliably isolated. Unfortunately, a reliable isolation of these effects is not that simple: many terms of the density functional theories contribute into the energies of the terminating states and the deficiencies in the description of those terms affect the result. The recent suggestion [H. Zdunczuk, W. Satula, and R. A. Wyss, Phys. Rev. C 71, 024305 (2005)] that the relative energies of the terminating states in the N{ne}Z,A{approx}44 mass region given by {delta}E provide unique and reliable constraints on time-odd mean fields and the strength of spin-orbit interaction in density functional theories has been reanalyzed. The current investigation shows that the {delta}E value is affected also by the relative placement of the states with different orbital angular momentum l, namely, the placement of the d (l=2) and f (l=3) states. This indicates the dependence of the {delta}E value on the properties of the central potential.

  5. Phosphazene additives

    DOEpatents

    Harrup, Mason K; Rollins, Harry W

    2013-11-26

    An additive comprising a phosphazene compound that has at least two reactive functional groups and at least one capping functional group bonded to phosphorus atoms of the phosphazene compound. One of the at least two reactive functional groups is configured to react with cellulose and the other of the at least two reactive functional groups is configured to react with a resin, such as an amine resin of a polycarboxylic acid resin. The at least one capping functional group is selected from the group consisting of a short chain ether group, an alkoxy group, or an aryloxy group. Also disclosed are an additive-resin admixture, a method of treating a wood product, and a wood product.

  6. Band gap modulation in polythiophene and polypyrrole-based systems

    PubMed Central

    Kaloni, Thaneshwor P.; Schreckenbach, Georg; Freund, Michael S.

    2016-01-01

    In this paper, the structural and electronic properties of polythiophene and polyprrrole-based systems have been investigated using first-principles calculations both in periodic and oligomer forms. Of particular interest is the band gap modulation through substitutions and bilayer formation. Specifically, S has been substituted by Se and Te in polythiophene, leading to polyseleophene and polytellurophene, respectively, and N has been substituted by P and As in polypyrrole. The values obtained of the binding energy suggest that all the systems studied can be realized experimentally. Stacking (bilayer formation) of pure polythiophene, polypyrrole and their derivatives leads to linear suppression of the band gap or HOMO-LUMO gap as a function of the stacking. Mixed bilayers, including one formed from polythiophene on top of polypyrrole, have also been considered. Overall, a wide range of band gaps can be achieved through substitutions and stacking. Hybrid (B3LYP) calculations also suggest the same trend in the band gap as PBE calculations. Trends in the binding energy are similar for both periodic and molecular calculations. In addition, Γ-point phonon calculations were performed in order to check the stability of selected systems. PMID:27827393

  7. High atomic weight, high-energy radiation (HZE) induces transcriptional responses shared with conventional stresses in addition to a core "DSB" response specific to clastogenic treatments.

    PubMed

    Missirian, Victor; Conklin, Phillip A; Culligan, Kevin M; Huefner, Neil D; Britt, Anne B

    2014-01-01

    Plants exhibit a robust transcriptional response to gamma radiation which includes the induction of transcripts required for homologous recombination and the suppression of transcripts that promote cell cycle progression. Various DNA damaging agents induce different spectra of DNA damage as well as "collateral" damage to other cellular components and therefore are not expected to provoke identical responses by the cell. Here we study the effects of two different types of ionizing radiation (IR) treatment, HZE (1 GeV Fe(26+) high mass, high charge, and high energy relativistic particles) and gamma photons, on the transcriptome of Arabidopsis thaliana seedlings. Both types of IR induce small clusters of radicals that can result in the formation of double strand breaks (DSBs), but HZE also produces linear arrays of extremely clustered damage. We performed these experiments across a range of time points (1.5-24 h after irradiation) in both wild-type plants and in mutants defective in the DSB-sensing protein kinase ATM. The two types of IR exhibit a shared double strand break-repair-related damage response, although they differ slightly in the timing, degree, and ATM-dependence of the response. The ATM-dependent, DNA metabolism-related transcripts of the "DSB response" were also induced by other DNA damaging agents, but were not induced by conventional stresses. Both Gamma and HZE irradiation induced, at 24 h post-irradiation, ATM-dependent transcripts associated with a variety of conventional stresses; these were overrepresented for pathogen response, rather than DNA metabolism. In contrast, only HZE-irradiated plants, at 1.5 h after irradiation, exhibited an additional and very extensive transcriptional response, shared with plants experiencing "extended night." This response was not apparent in gamma-irradiated plants.

  8. A study of potential high band-gap photovoltaic materials for a two step photon intermediate technique in fission energy conversion. Final report

    SciTech Connect

    Prelas, M.A.

    1996-01-24

    This report describes progress made to develop a high bandgap photovoltaic materials for direct conversion to electricity of excimer radiation produced by fission energy pumped laser. This report summarizes the major achievements in sections. The first section covers n-type diamond. The second section covers forced diffusion. The third section covers radiation effects. The fourth section covers progress in Schottky barrier and heterojunction photovoltaic cells. The fifth section covers cell and reactor development.

  9. Manifestations of Vibronic Coupling Effects in Molecular Spectroscopy: from the Quenching of Excitonic Energy Splittings to the Clements Bands of SO2

    NASA Astrophysics Data System (ADS)

    Koppel, Horst

    2013-06-01

    We investigate the excitation of vibrational modes and its impact on the excitonic energy splittings in doubly hydrogen-bonded molecular dimers. The experimental analysis, performed in collaboration by S. Leutwyler and coworkers (Univ. Bern), is based on high-resolution resonant two-photon ionization spectroscopy. The potential energy surfaces underlying the theoretical investigation are obtained at the RICC2/aug-cc-pVTZ level and are used for the dynamical analysis in the framework of a well-established vibronic coupling approach. The vertical electronic Davydov splitting of the S_1 and S_2 excited states exceeds the observed excitonic splitting by a factor of 10--40. This discrepancy can be understood by considering the quenching of the excitonic splitting by the excitation of vibrational modes in the electronic transition. Two different approaches have been employed and found to reconcile theory and experiment. The analysis of the vibronic structure of the S_2 ← S_0 excitation spectrum focusses on the ortho-cyanophenol dimer as a representative example. Most of the observed spectral features can be reproduced by the calculations, although some deviations remain. In the second part, new results on the UV absorption spectrum of SO_2 will be presented. This is complementary to the excitonic systems in that higher vibrational energies are involved and a conical intersection is accessible to the nuclear motion. Using the concept of regularized diabatic states in combination with high-accuracy MRCI potential energy surfaces, semi-quantitative agreement with the complex experimental (low-resolution) spectrum has been achieved for the first time. P. Ottiger, S. Leutwyler and H. Köppel, J. Chem. Phys. 136, 174308 (2012). S. Kopec, P. Ottiger, S. Leutwyler and H. Köppel, J. Chem. Phys. 137, 184312 (2012). H. Köppel and B. Schubert, Mol. Phys. 104, 1069 (2006). C. Leveque, A. Komainda, R. Taieb and H. Köppel, J. Chem. Phys. 138, 044320 (2013).

  10. Band structure in 113Sn

    NASA Astrophysics Data System (ADS)

    Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2016-07-01

    The structure of collective bands in 113Sn, populated in the reaction 100Mo(19F,p 5 n ) at a beam energy of 105 MeV, has been studied. A new positive-parity sequence of eight states extending up to 7764.9 keV and spin (39 /2+) has been observed. The band is explained as arising from the coupling of the odd valence neutron in the g7 /2 or the d5 /2 orbital to the deformed 2p-2h proton configuration of the neighboring even-A Sn isotope. Lifetimes of six states up to an excitation energy of 9934.9 keV and spin 47 /2-belonging to a Δ I =2 intruder band have been measured for the first time, including an upper limit for the last state, from Doppler-shift-attenuation data. A moderate average quadrupole deformation β2=0.22 ±0.02 is deduced from these results for the five states up to spin 43 /2- . The transition quadrupole moments decrease with increase in rotational frequency, indicating a reduction of collectivity with spin, a feature common for terminating bands. The behavior of the kinematic and dynamic moments of inertia as a function of rotational frequency has been studied and total Routhian surface calculations have been performed in an attempt to obtain an insight into the nature of the states near termination.

  11. Low Power Band to Band Tunnel Transistors

    DTIC Science & Technology

    2010-12-15

    the E-field and tunneling at the source- pocket junction you form a parasitic NPN + transistor and the injection mechanism of carriers into the...hypothesis that the 1000 ° C, 5s anneal split lead to a very wide pocket and the accidental formation of a NPN + transistor , while the 1000 ° C, 1s anneal...Low Power Band to Band Tunnel Transistors Anupama Bowonder Electrical Engineering and Computer Sciences University of California at Berkeley

  12. Search for superdeformed bands in {sup 154}Dy

    SciTech Connect

    Nisius, D.; Janssens, R.V.F.; Khoo, T.L.

    1995-08-01

    The island of superdeformation in the vicinity of the doubly magic {sup 152}Dy yrast superdeformed (SD) band is thought to be well understood in the framework of cranked mean field calculations. In particular, the calculations suggested that in {sup 154}Dy there should be no yrast or near yrast SD minimum in the 40-60 h spin range, where SD bands in this mass region are thought to be {sup 153}Dy nucleus, it is populated. However, with the presence of five SD bands in the neighboring necessary to ascertain if the addition of one single neutron diminishes the importance of shell effects to the extent that superdeformation can no longer be sustained. In an experiment utilizing the increased resolving power of the early implementation phase of Gammasphere, the reaction {sup 122}Sn({sup 36}S,4n) at 165 MeV was employed to populate high spin states in {sup 154}Dy. In a four-day run with 36 detectors, over one billion triple and higher fold coincidence events were recorded. One new SD band was identified and was assigned to {sup 154}Dy. From comparisons with the Im{sup (2)} moments of inertia of the SD bands in {sup 152}Dy and {sup 153}Dy, a configuration based on (514)9/2{sup 2} neutrons coupled to the {sup 152}Dy SD core was proposed. One unexpected and as yet unexplained feature of this new SD band is that the transition energies are almost identical to those of an excited SD band in {sup 153}Dy. It is also worth noting that the feeding of the yrast states is similar to that achieved by the deexcitation from the ensemble of all entry states in the reaction. This observation emphasizes the statistical nature of the decay-out process. A paper reporting these results was accepted for publication.

  13. Synthesis and characterization of a mixture of CoFe2O4 and MgFe2O4 from layered double hydroxides: Band gap energy and magnetic responses

    NASA Astrophysics Data System (ADS)

    Agú, Ulises A.; Oliva, Marcos I.; Marchetti, Sergio G.; Heredia, Angélica C.; Casuscelli, Sandra G.; Crivello, Mónica E.

    2014-11-01

    A mixture of nanocrystals of cobalt ferrite and magnesium ferrite was obtained from Layered Double Hydroxides (LDH) through a co-precitation method with a theoretical molar ratio M2+:Fe3+=3:1, where M2+represents Mg2+ and/or Co2+. The molar ratios between Co2+:Fe3+ were 0.0 (0Co), 0.2 (5Co), and 0.4 (10Co). In order to assess the effect on the properties of the LDH and their oxides, the molar percentages were 0, 5 and 10%. Two different synthesis methods were evaluated; (i) ageing at room temperature (rt), and (ii) hydrothermal ageing at 200 °C in autoclave (ht), both methods needed 15 h of ageing. Then, these LDH were calcined in air atmosphere at 550 °C for 10 h. The calcined materials were characterized by X-ray diffraction (XRD), thermogravymetric analysis (TGA), temperature-programmed reduction (TPR), infrared spectroscopy with Fourier transform (FTIR), Diffuse Reflectance UV-visible spectroscopy (UV-vis-DRS), Mössbauer spectroscopy and inductively coupled plasma optical emission spectroscopy (ICP-OES). The magnetic response was analyzed using a vibrating sample magnetometer (VSM). The band gap energy of the iron oxides was determined through the UV-vis-DRS analysis. Through these studies it was possible to identify the presence of a mixture of cobalt ferrite and magnesium ferrite. Samples did not show hematite and cobalt oxides, but the presence of MgO in the periclase phase was determined. This magnesium oxide promoted a good dispersion of the ferrites. Moreover, when a single ferrite phase of Co or Mg was formed, a diminution of the crystal size with consequent enlarged values of band gap energy was observed. Thus, materials synthesized by room temperature ageing promoted the superparamagnetic behaviour of samples, attributed to the content of the cobalt ferrite structure in nanocrystals. In regard to the estimated band gap energy, all samples exhibited low levels. These results indicate that these solids would be suitable for photocatalysts use in all

  14. Engineering Dilute Nitride Semiconductor Alloys for Intermediate Band Solar Cells

    NASA Astrophysics Data System (ADS)

    Luce, Alexander Vallejo

    The growth and characterization of GaAs nanowires and GaNPAs thin-films is discussed within the context of finding a material system that is suitable as an intermediate band solar cell (IBSC) absorber. The IBSC is an attractive concept proposed to exceed the Shockley-Queisser detailed balance limit for photovoltaic efficiency. These solar cells have an additional intermediate band, allowing for the absorption of below bandgap photons, thus resulting in an increase in photocurrent and higher efficiency. Suitable materials systems for the implementation of the IBSC concept, however, are presently lacking. Recent work on the highly-mismatched alloy (HMA) GaAsN has shown that the unique features of the electronic band structure demonstrate optical activity of three energy bands and have led to the realization of a proof-of-concept IBSC. GaAsN, however, is not without shortcomings. Another HMA material, GaNPAs, which offers a wide range of bandgap tunability and is better matched to the solar spectrum is proposed. This work covers the optical characterization of both GaAs nanowires and GaAsPN using traditional visible-light semiconductor characterization techniques including optical absorption spectroscopy, photo-modulated reflectance, steady-state photoluminescence, and spectral photoconductivity. Additionally, photovoltaic devices based on GaNPAs are demonstrated and assessed as potential IBSCs.

  15. Photovoltaic properties of low band gap ferroelectric perovskite oxides

    NASA Astrophysics Data System (ADS)

    Huang, Xin; Paudel, Tula; Dong, Shuai; Tsymbal, Evgeny

    2015-03-01

    Low band gap ferroelectric perovskite oxides are promising for photovoltaic applications due to their high absorption in the visible optical spectrum and a possibility of having large open circuit voltage. Additionally, an intrinsic electric field present in these materials provides a bias for electron-hole separation without requiring p-n junctions as in conventional solar cells. High quality thin films of these compounds can be grown with atomic layer precision allowing control over surface and defect properties. Initial screening based on the electronic band gap and the energy dependent absorption coefficient calculated within density functional theory shows that hexagonal rare-earth manganites and ferrites are promising as photovoltaic absorbers. As a model, we consider hexagonal TbMnO3. This compound has almost ideal band gap of about 1.4 eV, very high ferroelectric Curie temperature, and can be grown epitaxially. Additionally hexagonal TbMnO3 offers possibility of coherent structure with transparent conductor ZnO. We find that the absorption is sufficiently high and dominated by interband transitions between the Mn d-bands. We will present the theoretically calculated photovoltaic efficiency of hexagonal TbMnO3 and explore other ferroelectric perovskite oxides.

  16. Rotational bands in {sup 76}Rb

    SciTech Connect

    Harder, A.; Kabadiyski, M.K.; Lieb, K.P.; Rudolph, D.; Gross, C.J.; Cunningham, R.A.; Hannachi, F.; Simpson, J.; Warner, D.D.; Roth, H.A.; Skeppstedt, O.; Gelletly, W.; Varley, B.J.

    1995-06-01

    High spin states in {sup 76}Rb were investigated via the reaction {sup 40}Ca({sup 40}Ca,3{ital pn}){sup 76}Rb at 128 MeV. The level scheme was established from {gamma}{gamma}, {gamma}{gamma}{gamma} and recoil-{gamma} coincidences measured in the EUROGAM I array in combination with the Daresbury recoil separator. The known rotational bands were extended up to the excitation energy {ital E}{sub {ital x}}{approx}9.2 MeV and spins {ital I}{sup {pi}}=(21{sup +}) and (19{sup {minus}}). The band head energies could be fixed by many interband transitions. Two new bands were identified. The level scheme is discussed in terms of the cranked shell model. In the negative parity bands {sup 76}Rb behaves like a rigid rotor until the first band crossings.

  17. Application of calcium chloride as an additive for secondary refrigerant in the air conditioning system type chiller to minimized energy consumption

    NASA Astrophysics Data System (ADS)

    Suwono, A.; Indartono, Y. S.; Irsyad, M.; Al-Afkar, I. C.

    2015-09-01

    One way to resolve the energy problem is to increase the efficiency of energy use. Air conditioning system is one of the equipment that needs to be considered, because it is the biggest energy user in commercial building sector. Research currently developing is the use of phase change materials (PCM) as thermal energy storage (TES) in the air conditioning system to reduce energy consumption. Salt hydrates have been great potential to be developed because they have been high latent heat and thermal conductivity. This study has used a salt hydrate from calcium chloride to be tested in air conditioning systems type chiller. Thermal characteristics were examined using temperature history (T-history) test and differential scanning calorimetry (DSC). The test results showed that the thermal characteristics of the salt hydrate has been a high latent heat and in accordance with the evaporator temperature. The use of salt hydrates in air conditioning system type chiller can reduce energy consumption by 51.5%.

  18. Diffuse interstellar bands in reflection nebulae

    NASA Technical Reports Server (NTRS)

    Fischer, O.; Henning, Thomas; Pfau, Werner; Stognienko, R.

    1994-01-01

    A Monte Carlo code for radiation transport calculations is used to compare the profiles of the lambda lambda 5780 and 6613 Angstrom diffuse interstellar bands in the transmitted and the reflected light of a star embedded within an optically thin dust cloud. In addition, the behavior of polarization across the bands were calculated. The wavelength dependent complex indices of refraction across the bands were derived from the embedded cavity model. In view of the existence of different families of diffuse interstellar bands the question of other parameters of influence is addressed in short.

  19. Observation of nonlinear bands in near-field scanning optical microscopy of a photonic-crystal waveguide

    SciTech Connect

    Singh, A.; Huisman, S. R.; Ctistis, G. Mosk, A. P.; Pinkse, P. W. H.; Korterik, J. P.; Herek, J. L.

    2015-01-21

    We have measured the photonic bandstructure of GaAs photonic-crystal waveguides with high resolution in energy as well as in momentum using near-field scanning optical microscopy. Intriguingly, we observe additional bands that are not predicted by eigenmode solvers, as was recently demonstrated by Huisman et al. [Phys. Rev. B 86, 155154 (2012)]. We study the presence of these additional bands by performing measurements of these bands while varying the incident light power, revealing a non-linear power dependence. Here, we demonstrate experimentally and theoretically that the observed additional bands are caused by a waveguide-specific near-field tip effect not previously reported, which can significantly phase-modulate the detected field.

  20. Thermochemical Properties and Bond Dissociation Energies for Fluorinated Methanol, CH3-xFxOH, and Fluorinated Methyl Hydroperoxides, CH3-xFxOOH: Group Additivity.

    PubMed

    Wang, Heng; Bozzelli, Joseph W

    2016-09-08

    Oxygenated fluorocarbons are routinely found in sampling of environmental soils and waters as a result of the widespread use of fluoro and chlorofluoro carbons as heat transfer fluids, inert materials, polymers, fire retardants and solvents; the influence of these chemicals on the environment is a growing concern. The thermochemical properties of these species are needed for understanding their stability and reactions in the environment and in thermal process. Structures and thermochemical properties on the mono- to trifluoromethanol, CH3-xFxOH, and fluoromethyl hydroperoxide, CH3-xFxOOH (1 ≤ x ≤ 3), are determined by CBS-QB3, CBS-APNO, and G4 calculations. Entropy, S°298, and heat capacities, Cp(T)'s (300 ≤ T/K ≤ 1500) from vibration, translation, and external rotation contributions are calculated on the basis of the vibration frequencies and structures obtained from the B3LYP/6-31+G(d,p) density functional method. Potential barriers for the internal rotations are also calculated from this method and used to calculate hindered rotor contributions to S°298 and Cp(T)'s using direct integration over energy levels of the internal rotational potentials. Standard enthalpies of formation, ΔfH°298 (units in kcal mol(-1)) are CH2FOOH (-83.7), CHF2OOH (-138.1), CF3OOH (-193.6), CH2FOO(•) (-44.9), CHF2OO(•) (-99.6), CF3OO(•) (-153.8), CH2FOH (-101.9), CHF2OH (-161.6), CF3OH (-218.1), CH2FO(•) (-49.1), CHF2O(•) (-97.8), CF3O(•) (-150.5), CH2F(•) (-7.6), CHF2(•) (-58.8), and CF3(•) (-112.6). Bond dissociation energies for the R-OOH, RO-OH, ROO-H, R-OO(•), RO-O(•), R-OH, RO-H, R-O(•), and R-H bonds are determined and compared with methyl hydroperoxide to observe the trends from added fluoro substitutions. Enthalpy of formation for the fluoro-hydrocarbon oxygen groups C/F/H2/O, C/F2/H/O, C/F3/O, are derived from the above fluorinated methanol and fluorinated hydroperoxide species for use in Benson's Group Additivity. It was determined that

  1. Tests of variable-band multilayers designed for investigating optimal signal-to-noise vs artifact signal ratios in Dual-Energy Digital Subtraction Angiography (DDSA) imaging systems

    SciTech Connect

    Boyers, D.; Ho, A.; Li, Q.; Piestrup, M.; Rice, M.; Tatchyn, R.

    1993-08-01

    In recent work, various design techniques were applied to investigate the feasibility of controlling the bandwidth and bandshape profiles of tungsten/boron-carbon (W/B{sub 4}C) and tungsten/silicon (W/Si) multilayers for optimizing their performance in synchrotron radiation based angiographical imaging systems at 33 keV. Varied parameters included alternative spacing geometries, material thickness ratios, and numbers of layer pairs. Planar optics with nominal design reflectivities of 30%--94% and bandwidths ranging from 0.6%--10% were designed at the Stanford Radiation Laboratory, fabricated by the Ovonic Synthetic Materials Company, and characterized on Beam Line 4-3 at the Stanford Synchrotron Radiation Laboratory, in this paper we report selected results of these tests and review the possible use of the multilayers for determining optimal signal to noise vs. artifact signal ratios in practical Dual-Energy Digital Subtraction Angiography systems.

  2. Summary year 2: A study of potential high band-gap photovoltaic materials for a two step photon intermediate technique in fission energy conversion

    SciTech Connect

    Prelas, M.A.; Charlson, E.J.; Charlson, E.M.

    1996-11-01

    The production of single crystal diamond thin films of large area would be a technological breakthrough for a variety of electronic and optical applications. In terms of the objectives of this contract, single crystal films would produce high quality doped regions and thus better barriers for energy conversion in the vacuum ultraviolet. To date, diamond single crystal films have been made homo-epitaxially on natural or synthetic diamond single crystals. As large single crystal diamond is prohibitively expensive, there is a need to find matching substrates for diamond heteropolarities. Cubic boron nitride has the diamond lattice structure and matches nearly perfectly the cell dimensions. However, large area cubic BN single crystal substrates are not available, as c-BN is stable, just like diamond, at high pressures and high temperatures only. The widely used Si substrates have a large lattice constant mismatch with diamond.

  3. LSE investigation of the thermal effect on band gap energy and thermodynamic parameters of BInGaAs/GaAs Single Quantum Well

    NASA Astrophysics Data System (ADS)

    Hidouri, T.; Saidi, F.; Maaref, H.; Rodriguez, Ph.; Auvray, L.

    2016-12-01

    In this paper, we report on the experimental and theoretical study of BInGaAs/GaAs Single Quantum Well elaborated by Metal Organic Chemical Vapor Deposition (MOCVD). We carried out the photoluminescence (PL) peak energy temperature-dependence over a temperature range of 10-300 K. It shows the S-shaped behavior as a result of a competition process between localized and delocalized states. We simulate the peak evolution by the empirical model and modified models. The first one is limited at high PL temperature. For the second one, a correction due to the thermal redistribution based on the Localized State Ensemble model (LSE). The new fit gives a good agreement between theoretical and experimental data in the entire temperature range. Furthermore, we have investigated an approximate analytical expressions and interpretation for the entropy and enthalpy of formation of electron-hole pairs in quaternary BInGaAs/GaAs SQW.

  4. Red organic light-emitting diodes based on wide band gap emitting material as the host utilizing two-step energy transfer

    NASA Astrophysics Data System (ADS)

    Haq, Khizar-ul; Shan-peng, Liu; Khan, M. A.; Jiang, X. Y.; Zhang, Z. L.; Zhu, W. Q.

    2008-03-01

    We demonstrated efficient red organic light-emitting diodes based on a host emitting system of 9,10-di(2-naphthyl)anthracene (ADN) co-doped with 4-(dicyano-methylene)-2-t-butyle-6- (1,1,7,7-tetramethyl-julolidyl-9-enyl)-4H-pyran (DCJTB) as a red dopant and 2,3,6,7- tetrahydro-1,1,7,7-tetramethyl-1H,5H,1 1H-10(2-benzothiazolyl)-quinolizine-[9,9a,1gh] coumarin (C545T) as an assistant dopant. The typical device structure was glass substrate/ITO/4,4',4''-tris(N-3-methylphenyl-N-phenylamino) triphenylamine(m-MTDATA)/N,N'-bis-(naphthalene-1-yl)-N,N'-diphenylbenzidine(NPB)/[ADN: DCJTB: C545T/Alq3/LiF/Al]. It was found that C545T dopant did not emit by itself but did assist the energy transfer from the host (ADN) to the red emitting dopant. The red OLEDs realized by this approach not only enhanced the emission color, but also significantly improved the EL efficiency. The EL efficiency reached 3.5 cd A-1 at a current density of 20 mA cm-2, which is enhanced by three times compared with devices where the emissive layer is composed of the DCJTB doped ADN. The saturated red emission was obtained with CIE coordinates (x = 0.618, y = 0.373) at 621 nm, and the device driving voltage is decreased as much as 38%. We attribute these improvements to the assistant dopant (C545T), which leads to the more efficient energy transfer from ADN to DCJTB. These results indicate that the co-doped system is a promising method for obtaining high-efficiency red OLEDs.

  5. Ab initio potential energy surfaces and trajectory studies of A-band photodissociation dynamics: CH3I* --> CH3+I and CH3+I*

    NASA Astrophysics Data System (ADS)

    Amatatsu, Yoshiaki; Morokuma, Keiji; Yabushita, Satoshi

    1991-04-01

    Ab initio contracted spin-orbit configuration interaction (SOCI) calculations have been carried out to obtain potential energy surfaces of 3Q0 and 1Q1 excited states of methyl iodide as functions of all the geometrical parameters except for the three C-H stretches. The results are fitted to six-dimensional diabatic potential functions and their couplings. Classical trajectory calculations have been performed using these potential functions. The rotation of the CH3 product in the I channel has been calculated to be perpendicular to the top axis and to have a peak at N=5 and extend up to N=8, whereas it is cold in the I* channel, in good agreement with recent experiments. The CH3 rotation is excited by the time trajectories arrive at the conical intersection region; this excitation is retained in the I-channel product because the 1Q1 surface has a small bending force constant outside the conical intersection, whereas it is damped in the I* channel because 3Q0 still has a large bending force constant. The calculated distribution in the ν2 umbrella vibrational mode of the CH3 product is hot and has a peak at v=2 for the I channel, and is cool for the I* channel, in good agreement with recent experiments. This channel selectivity is due to the difference in the preferred structure of the CH3 group outside the conical intersection region; while the 3Q0 surface prefers a bent CH3 until the CH3-I distance becomes very large, 1Q1 wants a planar CH3. The location of conical intersection and the ground-excited energy difference there are in good agreement with those deduced from experiment if a dynamical effect is taken into account.

  6. Spectra of {gamma} rays feeding superdeformed bands

    SciTech Connect

    Lauritsen, T.; Khoo, T.L.; Henry, R.G.

    1995-08-01

    The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

  7. Energy

    DTIC Science & Technology

    2003-01-01

    Canada, Britain, and Spain. We found that the energy industry is not in crisis ; however, U.S. government policies, laws, dollars, and even public...CEIMAT (Centro de Investagaciones Energeticas , Medioambeintales y Tecnologicas) Research and development Page 3 of 28ENERGY 8/10/04http://www.ndu.edu...procurement or storage of standard, common use fuels. NATURAL GAS Natural gas, abundant globally and domestically, offers energy versatility among

  8. Effective single-band Hubbard model for the cuprates: Coulomb interactions and apical oxygen

    NASA Astrophysics Data System (ADS)

    Feiner, L. F.; Jefferson, J. H.; Raimondi, R.

    1995-02-01

    Starting with the three-band d-p model representing the high- Tc cuprates, we make a systematic reduction to an effective single-band model using a previously developed cell-perturbation method. In particular, we consider the effect of Coulomb repulsions on oxygen ( Up) and between copper and oxygen ( Vpd), and show that the resulting net Coloumb interaction between doped holes on neighbouring cells can be attractive due to locally enhanced pd hybridization, while this cannot occur for electrons. Extending to a five-band model, by including d 3 z2- r2 and apex p z orbitals, we show that there is, in addition to the usual Zhang-Rice singlet, a two-hole cell state which can be low in energy (depending on the proximity of the apicals), and may lead to a breakdown of the effective single-band model.

  9. Raman bands in Ag nanoparticles obtained in extract of Opuntia ficus-indica plant

    NASA Astrophysics Data System (ADS)

    Bocarando-Chacon, J.-G.; Cortez-Valadez, M.; Vargas-Vazquez, D.; Rodríguez Melgarejo, F.; Flores-Acosta, M.; Mani-Gonzalez, P. G.; Leon-Sarabia, E.; Navarro-Badilla, A.; Ramírez-Bon, R.

    2014-05-01

    Silver nanoparticles have been obtained in an extract of Opuntia ficus-indica plant. The size and distribution of nanoparticles were quantified by atomic force microscopy (AFM). The diameter was estimated to be about 15 nm. In addition, energy dispersive X-ray spectroscopy (EDX) peaks of silver were observed in these samples. Three Raman bands have been experimentally detected at 83, 110 and 160 cm-1. The bands at 83 and 110 cm-1 are assigned to the silver-silver Raman modes (skeletal modes) and the Raman mode located at 160 cm-1 has been assigned to breathing modes. Vibrational assignments of Raman modes have been carried out based on the Density Functional Theory (DFT) quantum mechanical calculation. Structural and vibrational properties for small Agn clusters with 2≤n≤9 were determined. Calculated Raman modes for small metal clusters have an approximation trend of Raman bands. These Raman bands were obtained experimentally for silver nanoparticles (AgNP).

  10. A Model Describing the Band Gap Energy of the Strained In x Ga1- x N y Sb z As1- y- z Alloy (0 < x ≤ 0.5, 0 < y ≤ 0.05, 0 < z ≤ 0.1)

    NASA Astrophysics Data System (ADS)

    Zhao, Chuan-Zhen; Fu, Qiang; Wei, Tong; Wang, Sha-Sha; Lu, Ke-Qing

    2017-03-01

    The physical mechanism for the band gap evolution of the strained In x Ga1- x N y Sb z As1- y- z alloy is investigated. It is found that In x Ga1- x N y Sb z As1- y- z alloy with small N and Sb contents can be considered as an alloy formed by adding N and Sb atoms in the host material In x Ga1- x As. Under this condition, the band gap evolution of In x Ga1- x N y Sb z As1- y- z is due to three factors. One is the intraband coupling interactions within the conduction band and separately within the valence band of the host material, another is the coupling interaction between the Sb level and the D valence band maximum of the host material, and the other is the coupling interaction between the N level and the D conduction band minimum of the host material. Based on the physical mechanism for the band gap evolution of In x Ga1- x N y Sb z As1- y- z , a model is developed. The model can describe the band gap energy of the strained In x Ga1- x N y Sb z As1- y- z alloy well.

  11. A Model Describing the Band Gap Energy of the Strained In x Ga1-x N y Sb z As1-y-z Alloy (0 < x ≤ 0.5, 0 < y ≤ 0.05, 0 < z ≤ 0.1)

    NASA Astrophysics Data System (ADS)

    Zhao, Chuan-Zhen; Fu, Qiang; Wei, Tong; Wang, Sha-Sha; Lu, Ke-Qing

    2016-12-01

    The physical mechanism for the band gap evolution of the strained In x Ga1-x N y Sb z As1-y-z alloy is investigated. It is found that In x Ga1-x N y Sb z As1-y-z alloy with small N and Sb contents can be considered as an alloy formed by adding N and Sb atoms in the host material In x Ga1-x As. Under this condition, the band gap evolution of In x Ga1-x N y Sb z As1-y-z is due to three factors. One is the intraband coupling interactions within the conduction band and separately within the valence band of the host material, another is the coupling interaction between the Sb level and the D valence band maximum of the host material, and the other is the coupling interaction between the N level and the D conduction band minimum of the host material. Based on the physical mechanism for the band gap evolution of In x Ga1-x N y Sb z As1-y-z , a model is developed. The model can describe the band gap energy of the strained In x Ga1-x N y Sb z As1-y-z alloy well.

  12. Temperature dependent LH1→RC energy transfer in purple bacteria Tch. tepidum with shiftable LH1-Qy band: A natural system to investigate thermally activated energy transfer in photosynthesis.

    PubMed

    Ma, Fei; Yu, Long-Jiang; Wang-Otomo, Zheng-Yu; van Grondelle, Rienk

    2016-04-01

    The native LH1-RC complex of the purple bacterium Thermochromatium (Tch.) tepidum has an ultra-red LH1-Qy absorption at 915nm, which can shift to 893 and 882nm by means of chemical modifications. These unique complexes are a good natural system to investigate the thermally activated energy transfer process, with the donor energies different while the other factors (such as the acceptor energy, special pair at 890nm, and the distance/relative orientation between the donor and acceptor) remain the same. The native B915-RC, B893-RC and B882-RC complexes, as well as the LH1-RC complex of Rhodobacter (Rba.) sphaeroides were studied by temperature-dependent time-resolved absorption spectroscopy. The energy transfer time constants, kET(-1), are 65, 45, 46 and 45ps at room temperature while 225, 58, 85, 33ps at 77K for the B915-RC, B893-RC, B882-RC and Rba. sphaeroides LH1-RC, respectively. The dependences of kET on temperature have different trends. The reorganization energies are determined to be 70, 290, 200 and 45cm(-1), respectively, by fitting kET vs temperature using Marcus equation. The activation energies are 200, 60, 115 and 20cm(-1), respectively. The influences of the structure (the arrangement of the 32 BChl a molecules) on kET are discussed based on these results, to reveal how the B915-RC complex accomplishes its energy transfer function with a large uphill energy of 290cm(-1).

  13. Wide Band to ''Double Band'' upgrade

    SciTech Connect

    Kasper, P.; Currier, R.; Garbincius, P.; Butler, J.

    1988-06-01

    The Wide Band beam currently uses electrons obtained from secondary photon conversions to produce the photon beam incident on the experimental targets. By transporting the positrons produced in these conversions as well as the electrons it is possible to almost double the number of photons delivered to the experiments per primary beam proton. 11 figs.

  14. High energy sideband on the magnetic polaron related luminescence in EuTe

    NASA Astrophysics Data System (ADS)

    Heredia, E.; Motisuke, P.; de Oliveira Rappl, P. H.; Brasil, M. J. S. P.; Iikawa, F.

    2012-08-01

    We investigated the near band gap luminescence of EuTe thin films grown by molecular beam epitaxy, using excitation intensities up to 2 × 105 W/cm2. Besides the previously reported high energy emissions MX1 and MX2, we observed an additional emission band at higher energies. This higher-energy band is only detected when high excitation intensities, over 2 kW/cm2, are used. With increasing externally applied magnetic field, this additional emission band shifts to lower energies at a rate even higher than the MX1. The two bands, however, have different temperature dependences and decay times, suggesting that distinct electronic states are involved in their emission.

  15. PdO doping tunes band-gap energy levels as well as oxidative stress responses to a Co₃O₄ p-type semiconductor in cells and the lung.

    PubMed

    Zhang, Haiyuan; Pokhrel, Suman; Ji, Zhaoxia; Meng, Huan; Wang, Xiang; Lin, Sijie; Chang, Chong Hyun; Li, Linjiang; Li, Ruibin; Sun, Bingbing; Wang, Meiying; Liao, Yu-Pei; Liu, Rong; Xia, Tian; Mädler, Lutz; Nel, André E

    2014-04-30

    We demonstrate through PdO doping that creation of heterojunctions on Co3O4 nanoparticles can quantitatively adjust band-gap and Fermi energy levels to study the impact of metal oxide nanoparticle semiconductor properties on cellular redox homeostasis and hazard potential. Flame spray pyrolysis (FSP) was used to synthesize a nanoparticle library in which the gradual increase in the PdO content (0-8.9%) allowed electron transfer from Co3O4 to PdO to align Fermi energy levels across the heterojunctions. This alignment was accompanied by free hole accumulation at the Co3O4 interface and production of hydroxyl radicals. Interestingly, there was no concomitant superoxide generation, which could reflect the hole dominance of a p-type semiconductor. Although the electron flux across the heterojunctions induced upward band bending, the E(c) levels of the doped particles showed energy overlap with the biological redox potential (BRP). This allows electron capture from the redox couples that maintain the BRP from -4.12 to -4.84 eV, causing disruption of cellular redox homeostasis and induction of oxidative stress. PdO/Co3O4 nanoparticles showed significant increases in cytotoxicity at 25, 50, 100, and 200 μg/mL, which was enhanced incrementally by PdO doping in BEAS-2B and RAW 264.7 cells. Oxidative stress presented as a tiered cellular response involving superoxide generation, glutathione depletion, cytokine production, and cytotoxicity in epithelial and macrophage cell lines. A progressive series of acute pro-inflammatory effects could also be seen in the lungs of animals exposed to incremental PdO-doped particles. All considered, generation of a combinatorial PdO/Co3O4 nanoparticle library with incremental heterojunction density allowed us to demonstrate the integrated role of E(v), E(c), and E(f) levels in the generation of oxidant injury and inflammation by the p-type semiconductor, Co3O4.

  16. PdO Doping Tunes Band-Gap Energy Levels as Well as Oxidative Stress Responses to a Co3O4p-Type Semiconductor in Cells and the Lung

    PubMed Central

    2014-01-01

    We demonstrate through PdO doping that creation of heterojunctions on Co3O4 nanoparticles can quantitatively adjust band-gap and Fermi energy levels to study the impact of metal oxide nanoparticle semiconductor properties on cellular redox homeostasis and hazard potential. Flame spray pyrolysis (FSP) was used to synthesize a nanoparticle library in which the gradual increase in the PdO content (0–8.9%) allowed electron transfer from Co3O4 to PdO to align Fermi energy levels across the heterojunctions. This alignment was accompanied by free hole accumulation at the Co3O4 interface and production of hydroxyl radicals. Interestingly, there was no concomitant superoxide generation, which could reflect the hole dominance of a p-type semiconductor. Although the electron flux across the heterojunctions induced upward band bending, the Ec levels of the doped particles showed energy overlap with the biological redox potential (BRP). This allows electron capture from the redox couples that maintain the BRP from −4.12 to −4.84 eV, causing disruption of cellular redox homeostasis and induction of oxidative stress. PdO/Co3O4 nanoparticles showed significant increases in cytotoxicity at 25, 50, 100, and 200 μg/mL, which was enhanced incrementally by PdO doping in BEAS-2B and RAW 264.7 cells. Oxidative stress presented as a tiered cellular response involving superoxide generation, glutathione depletion, cytokine production, and cytotoxicity in epithelial and macrophage cell lines. A progressive series of acute pro-inflammatory effects could also be seen in the lungs of animals exposed to incremental PdO-doped particles. All considered, generation of a combinatorial PdO/Co3O4 nanoparticle library with incremental heterojunction density allowed us to demonstrate the integrated role of Ev, Ec, and Ef levels in the generation of oxidant injury and inflammation by the p-type semiconductor, Co3O4. PMID:24673286

  17. Observing Quantum Monodromy: AN Energy-Momentum Map Built from Experimentally-Determined Level Energies Obtained from the νb{7} Far-Infrared Band System of Ncncs

    NASA Astrophysics Data System (ADS)

    Tokaryk, Dennis W.; Ross, Stephen Cary; Winnewisser, Brenda P.; Winnewisser, Manfred; De Lucia, Frank C.; Billinghurst, Brant E.

    2016-06-01

    The concept of Quantum Monodromy (QM) provides a fresh insight into the structure of rovibrational levels in those flexible molecules for which a bending mode can carry the molecule through the linear configuration. To confirm the existence of QM in a molecule required the fruits of several strands of development: the formulation of the abstract mathematical concept of monodromy, including the exploration of its relevance to systems described by classical mechanics and its manifestation in quantum molecular applications; the development of the required spectroscopic technology and computer-aided assignment; and the development of a theoretical model to apply in fitting to the observed data. We present a timeline for each of these strands, converging in our initial confirmation of QM in NCNCS from pure rotational data alone. In that work a Generalised SemiRigid Bender (GSRB) Hamiltonian was fitted to the experimental rotational structure. Rovibrational energies calculated from the fitted GSRB parameters allowed us to construct an ``Energy-Momentum" map and confirm the presence of QM in NCNCS. In further experimental work at the Canadian Light Source Synchrotron we have identified a network of transitions directly connecting the relevant energy levels and thereby have produced a refined Energy Momentum map for NCNCS from experimental measurements alone. This map extends from the ground vibrational level to well above the potential energy barrier, beautifully illustrating the characteristic signature of QM in a system uncomplicated by interaction with other vibrational modes. B. P. Winnewisser et al., Phys. Rev. Lett. 95, 243002 (2005)

  18. Origin of wide-band IP type II bursts

    NASA Astrophysics Data System (ADS)

    Pohjolainen, S.; Allawi, H.; Valtonen, E.

    2013-10-01

    Context. Different types of interplanetary (IP) type II bursts have been observed, where the more usual ones show narrow-band and patchy emissions, sometimes with harmonics, and which at intervals may disappear completely from the dynamic spectrum. The more unusual bursts are wide-band and diffuse, show no patches or breaks or harmonic emission, and often have long durations. Type II bursts are thought to be plasma emission, caused by propagating shock waves, but a synchrotron-emitting source has also been proposed as the origin for the wide-band type IIs. Aims: Our aim is to find out where the wide-band IP type II bursts originate and what is their connection to particle acceleration. Methods: We analyzed in detail 25 solar events that produced well-separated, wide-band IP type II bursts in 2001-2011. Their associations to flares, coronal mass ejections (CMEs), and solar energetic particle events (SEPs) were investigated. Results: Of the 25 bursts, 18 were estimated to have heights corresponding to the CME leading fronts, suggesting that they were created by bow shocks ahead of the CMEs. However, seven events were found in which the burst heights were significantly lower and which showed a different type of height-time evolution. Almost all the analyzed wide-band type II bursts were associated with very high-speed CMEs, originating from different parts of the solar hemisphere. In terms of SEP associations, many of the SEP events were weak, had poor connectivity due to the eastern limb source location, or were masked by previous events. Some of the events had precursors in specific energy ranges. These properties and conditions affected the intensity-time profiles and made the injection-time-based associations with the type II bursts difficult to interpret. In several cases where the SEP injection times could be determined, the radio dynamic spectra showed other features (in addition to the wide-band type II bursts) that could be signatures of shock fronts

  19. Photonic band structure

    SciTech Connect

    Yablonovitch, E.

    1993-05-01

    We learned how to create 3-dimensionally periodic dielectric structures which are to photon waves, as semiconductor crystals are to electron waves. That is, these photonic crystals have a photonic bandgap, a band of frequencies in which electromagnetic waves are forbidden, irrespective of propagation direction in space. Photonic bandgaps provide for spontaneous emission inhibition and allow for a new class of electromagnetic micro-cavities. If the perfect 3-dimensional periodicity is broken by a local defect, then local electromagnetic modes can occur within the forbidden bandgap. The addition of extra dielectric material locally, inside the photonic crystal, produces {open_quotes}donor{close_quotes} modes. Conversely, the local removal of dielectric material from the photonic crystal produces {open_quotes}acceptor{close_quotes} modes. Therefore, it will now be possible to make high-Q electromagnetic cavities of volume {approx_lt}1 cubic wavelength, for short wavelengths at which metallic cavities are useless. These new dielectric micro-resonators can cover the range all the way from millimeter waves, down to ultraviolet wavelengths.

  20. Ks-BAND DETECTION OF THERMAL EMISSION AND COLOR CONSTRAINTS TO CoRoT-1b: A LOW-ALBEDO PLANET WITH INEFFICIENT ATMOSPHERIC ENERGY REDISTRIBUTION AND A TEMPERATURE INVERSION

    SciTech Connect

    Rogers, Justin C.; Apai, Daniel; Lopez-Morales, Mercedes; Sing, David K.; Burrows, Adam

    2009-12-20

    We report the detection in Ks-band of the secondary eclipse of the hot Jupiter CoRoT-1b from time series photometry with the ARC 3.5 m telescope at Apache Point Observatory. The eclipse shows a depth of 0.336 +- 0.042% and is centered at phase 0.5022{sup +0.0023}{sub -0.0027}, consistent with a zero eccentricity orbit (e cos omega = 0.0035{sup +0.0036}{sub -0.0042}). We perform the first optical to near-infrared multi-band photometric analysis of an exoplanet's atmosphere and constrain the reflected and thermal emissions by combining our result with the recent 0.6, 0.71, and 2.09 mum secondary eclipse detections by Snellen et al., Gillon et al., and Alonso et al. Comparing the multi-wavelength detections to state-of-the-art radiative-convective chemical-equilibrium atmosphere models, we find the near-infrared fluxes difficult to reproduce. The closest blackbody-based and physical models provide the following atmosphere parameters: a temperature T = 2460{sup +80}{sub -160} K; a very low Bond albedo A{sub B} = 0.000{sup +0.081}{sub -0.000}; and an energy redistribution parameter P{sub n} = 0.1, indicating a small but nonzero amount of heat transfer from the day to nightside. The best physical model suggests a thermal inversion layer with an extra optical absorber of opacity kappa{sub e} = 0.05 cm{sup 2} g{sup -1}, placed near the 0.1 bar atmospheric pressure level. This inversion layer is located 10 times deeper in the atmosphere than the absorbers used in models to fit mid-infrared Spitzer detections of other irradiated hot Jupiters.

  1. Creation of Cu2O@TiO2 composite photocatalysts with p-n heterojunctions formed on exposed Cu2O facets, their energy band alignment study, and their enhanced photocatalytic activity under illumination with visible light.

    PubMed

    Liu, Lingmei; Yang, Weiyi; Sun, Wuzhu; Li, Qi; Shang, Jian Ku

    2015-01-28

    The creation of photocatalysts with controlled facets has become an important approach to enhance their activity. However, how the formation of heterojunctions on exposed facets could affect their photocatalytic performance ranking had not yet been investigated. In this study, Cu2O@TiO2 core-shell structures were created, and Cu2O/TiO2 p-n heterojunctions were formed on various exposed facets of Cu2O cubes, Cu2O cuboctahedra, and Cu2O octahedra, respectively. These Cu2O@TiO2 polyhedra demonstrated an enhanced photocatalytic degradation effect on Methylene Blue (MB) and 4-nitrophenol (4-NP) under visible light illumination, because of the enhanced charge carrier separation by the formation of Cu2O@TiO2 p-n heterojunctions. It was further found that their photocatalytic performance was also facet-dependent as pure Cu2O polyhedra, while the photocatalytic performance ranking of these Cu2O@TiO2 polyhedra was different with that of their corresponding Cu2O polyhedron cores. By the combination of optical property measurement and XPS analysis, the energy band alignments of these Cu2O@TiO2 polyhedra were determined, which demonstrated that Cu2O@TiO2 octahedra had the highest band offset for the separation of charge carriers. Thus, the charge-carrier-separation-driven force in Cu2O@TiO2 polyhedra was different from their corresponding Cu2O polyhedron cores, which resulted in their different surface photovoltage spectrum (SPS) responses and different photocatalytic performance rankings.

  2. Singing with the Band

    ERIC Educational Resources Information Center

    Altman, Timothy Meyer; Wright, Gary K.

    2012-01-01

    Usually band, orchestra, and choir directors work independently. However, the authors--one a choral director, the other a band director--have learned that making music together makes friends. Not only can ensemble directors get along, but joint concerts may be just the way to help students see how music can reach the heart. Combined instrumental…

  3. Rubber Band Science

    ERIC Educational Resources Information Center

    Cowens, John

    2005-01-01

    Not only are rubber bands great for binding objects together, but they can be used in a simple science experiment that involves predicting, problem solving, measuring, graphing, and experimenting. In this article, the author describes how rubber bands can be used to teach the force of mass.

  4. Stretch Band Exercise Program

    ERIC Educational Resources Information Center

    Skirka, Nicholas; Hume, Donald

    2007-01-01

    This article discusses how to use stretch bands for improving total body fitness and quality of life. A stretch band exercise program offers a versatile and inexpensive option to motivate participants to exercise. The authors suggest practical exercises that can be used in physical education to improve or maintain muscular strength and endurance,…

  5. Semiconductor band gap localization via Gaussian function

    NASA Astrophysics Data System (ADS)

    Ullrich, B.; Brown, G. J.; Xi, H.

    2012-10-01

    To determine the band gap of bulk semiconductors with transmission spectroscopy alone is considered as an extremely difficult task because in the higher energy range, approaching and exceeding the band gap energy, the material is opaque yielding no useful data to be recorded. In this paper, by investigating the transmission of industrial GaSb wafers with a thickness of 500 µm, we demonstrate how these obstacles of transmission spectroscopy can be overcome. The key is the transmission spectrums’ derivative, which coincides with the Gaussian function. This understanding can be used to transfer Beers’ law in an integral form opening the pathway of band gap determinations based on mathematical parameters only. The work also emphasizes the correlation between the thermal band gap variation and Debye temperature.

  6. Progressive Band Selection

    NASA Technical Reports Server (NTRS)

    Fisher, Kevin; Chang, Chein-I

    2009-01-01

    Progressive band selection (PBS) reduces spectral redundancy without significant loss of information, thereby reducing hyperspectral image data volume and processing time. Used onboard a spacecraft, it can also reduce image downlink time. PBS prioritizes an image's spectral bands according to priority scores that measure their significance to a specific application. Then it uses one of three methods to select an appropriate number of the most useful bands. Key challenges for PBS include selecting an appropriate criterion to generate band priority scores, and determining how many bands should be retained in the reduced image. The image's Virtual Dimensionality (VD), once computed, is a reasonable estimate of the latter. We describe the major design details of PBS and test PBS in a land classification experiment.

  7. ArnHF van der Waals clusters revisited: II. Energetics and HF vibrational frequency shifts from diffusion Monte Carlo calculations on additive and nonadditive potential-energy surfaces for n =1-12

    NASA Astrophysics Data System (ADS)

    Jiang, Hao; Xu, Minzhong; Hutson, Jeremy M.; Bačić, Zlatko

    2005-08-01

    The ground-state energies and HF vibrational frequency shifts of ArnHF clusters have been calculated on the nonadditive potential-energy surfaces (PESs) for n =2-7 and on the pairwise-additive PESs for the clusters with n =1-12, using the diffusion Monte Carlo (DMC) method. For n >3, the calculations have been performed for the lowest-energy isomer and several higher-lying isomers which are the closest in energy. They provide information about the isomer dependence of the HF redshift, and enable direct comparison with the experimental data recently obtained in helium nanodroplets. The agreement between theory and experiment is excellent, in particular, for the nonadditive DMC redshifts. The relative, incremental redshifts are reproduced accurately even at the lower level of theory, i.e., the DMC and quantum five-dimensional (rigid Arn) calculations on the pairwise-additive PESs. The nonadditive interactions make a significant contribution to the frequency shift, on the order of 10%-12%, and have to be included in the PESs in order for the theory to yield accurate magnitude of the HF redshift. The energy gaps between the DMC ground states of the cluster isomers are very different from the energy separation of their respective minima on the PES, due to the considerable variations in the intermolecular zero-point energy of different ArnHF isomers.

  8. A Multi-Band Uncertainty Set Based Robust SCUC With Spatial and Temporal Budget Constraints

    SciTech Connect

    Dai, Chenxi; Wu, Lei; Wu, Hongyu

    2016-11-01

    The dramatic increase of renewable energy resources in recent years, together with the long-existing load forecast errors and increasingly involved price sensitive demands, has introduced significant uncertainties into power systems operation. In order to guarantee the operational security of power systems with such uncertainties, robust optimization has been extensively studied in security-constrained unit commitment (SCUC) problems, for immunizing the system against worst uncertainty realizations. However, traditional robust SCUC models with single-band uncertainty sets may yield over-conservative solutions in most cases. This paper proposes a multi-band robust model to accurately formulate various uncertainties with higher resolution. By properly tuning band intervals and weight coefficients of individual bands, the proposed multi-band robust model can rigorously and realistically reflect spatial/temporal relationships and asymmetric characteristics of various uncertainties, and in turn could effectively leverage the tradeoff between robustness and economics of robust SCUC solutions. The proposed multi-band robust SCUC model is solved by Benders decomposition (BD) and outer approximation (OA), while taking the advantage of integral property of the proposed multi-band uncertainty set. In addition, several accelerating techniques are developed for enhancing the computational performance and the convergence speed. Numerical studies on a 6-bus system and the modified IEEE 118-bus system verify the effectiveness of the proposed robust SCUC approach for enhancing uncertainty modeling capabilities and mitigating conservativeness of the robust SCUC solution.

  9. Femtosecond laser ablation of wide band-gap materials

    NASA Astrophysics Data System (ADS)

    Takayama, Hidetoshi; Maruyama, Toshiro

    2012-11-01

    A plasma model proposed by Jiang and Tsai was applied to the experimental results for wide band-gap materials. The model fairly well predicted the laser-fluence dependences of the hole depth and diameter. The analytical threshold fluence represented the pulse-duration dependence very well. However, the model was insufficient to express the crater shape and to predict the threshold fluence. Deviations from the measurements suggest that the effect of ponderomotive force should be taken into account to improve the expression for the crater shape and that the surface energy needed to be additionally taken into account to predict the threshold fluence quantitatively.

  10. Narrow-band tunable alexandrite laser with passive Q switching

    SciTech Connect

    Tyryshkin, I S; Ivanov, N A; Khulugurov, V M

    1998-06-30

    An alexandrite laser with a self-injection of narrow-band radiation into its cavity was developed. A Fabry - Perot interferometer and a diffraction grating were used as dispersive components in an additional cavity. The cavity was switched by an LiF crystal with F{sub 3}{sup -} colour centres. The laser generated a single pulse of {approx} 180 ns duration and of 1.5 mJ energy, and with a spectrum 5 x 10{sup -3} cm{sup -1} wide. The laser emitted in the spectral range 720 - 780 nm. (lasers, active media)

  11. Non-additive model for specific heat of electrons

    NASA Astrophysics Data System (ADS)

    Anselmo, D. H. A. L.; Vasconcelos, M. S.; Silva, R.; Mello, V. D.

    2016-10-01

    By using non-additive Tsallis entropy we demonstrate numerically that one-dimensional quasicrystals, whose energy spectra are multifractal Cantor sets, are characterized by an entropic parameter, and calculate the electronic specific heat, where we consider a non-additive entropy Sq. In our method we consider an energy spectra calculated using the one-dimensional tight binding Schrödinger equation, and their bands (or levels) are scaled onto the [ 0 , 1 ] interval. The Tsallis' formalism is applied to the energy spectra of Fibonacci and double-period one-dimensional quasiperiodic lattices. We analytically obtain an expression for the specific heat that we consider to be more appropriate to calculate this quantity in those quasiperiodic structures.

  12. Effect of organic additives on the mitigation of volatility of 1-nitro-3,3'-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material.

    PubMed

    Talawar, M B; Singh, Alok; Naik, N H; Polke, B G; Gore, G M; Asthana, S N; Gandhe, B R

    2006-06-30

    1-Nitro-3,3'-dinitroazetidine (TNAZ) was synthesized based on the lines of reported method. Thermolysis studies on synthesized and characterized TNAZ using differential scanning calorimetry (DSC) and hyphenated TG-FT-IR techniques were undertaken to generate data on decomposition pattern. FT-IR of decomposition products of TNAZ revealed the evolution of oxides of nitrogen and HCN containing species suggesting the cleavage of C/N-NO(2) bond accompanied with the collapse of ring structure. The effect of incorporation of 15% additives namely, 3-amino-1,2,4-triazole (AT), 3,5-diamino-1,2,4-triazole (DAT), carbohydrazide (CHZ), 5,7-dinitrobenzofuroxan (DNBF), bis (2,2-dinitropropyl) succinate (BNPS), triaminoguanidinium nitrate (TAGN), 2,4,6-trinitrobenzoic acid (TNBA) and nitroguanidine (NQ) on the volatility of TNAZ was investigated by undertaking thermogravimetric analysis. The TG pattern brings out the potential of BNPS and TAGN as additives to mitigate the volatility of TNAZ. The influence of additives on thermal decomposition of pattern of TNAZ was also investigated by DSC. The DSC results indicated that the additives did not have appreciable effect on the melting point of TNAZ. Scanning electron microscopic (SEM) studies were carried out to investigate the effect of additives on morphology of TNAZ. This paper also discusses the possible mechanism involved in between the TNAZ and TAGN and BNPS. It appears that the formation of charge transfer complex formation between the TNAZ and TAGN/BNPS. The effect of addition of high explosives such as CL-20, HMX and RDX on thermo-physical characteristics of TNAZ is also reported in this paper.

  13. Discontinuities and bands alignments of strain-balanced III-V-N/III-V-Bi heterojunctions for mid-infrared photodetectors

    NASA Astrophysics Data System (ADS)

    Chakir, K.; Bilel, C.; Habchi, M. M.; Rebey, A.

    2017-02-01

    We have developed a 10- and 14-band anticrossing (BAC) models to investigate the band structures of dilute nitrides and dilute bismides alloys. In fact, the addition of Bi or N to III-V semiconductors causes a significant reduction in the band gap energy and an enhancement of the spin-orbit splitting energy. Further, the conduction and valence offsets between III-V-N/III-V-Bi were also investigated for different nitrogen and bismuth concentrations. For III-V-N/III-V-Bi heterojunctions, the strain-balanced criteria were undertaken by the zero stress analysis. The band alignment of strain-balanced GaAsN/GaAsBi, InPN/InPBi and InAsN/InAsBi is a type II. For InSbN/InSbBi heterostructure, the band lineup can be type I or II.

  14. Elimination of surface band bending on N-polar InN with thin GaN capping

    SciTech Connect

    Kuzmík, J. Haščík, Š.; Kučera, M.; Kúdela, R.; Dobročka, E.; Adikimenakis, A.; Mičušík, M.; Gregor, M.; Plecenik, A.; Georgakilas, A.

    2015-11-09

    0.5–1 μm thick InN (0001) films grown by molecular-beam epitaxy with N- or In-polarity are investigated for the presence of native oxide, surface energy band bending, and effects introduced by 2 to 4 monolayers of GaN capping. Ex situ angle-resolved x-ray photo-electron spectroscopy is used to construct near-surface (GaN)/InN energy profiles, which is combined with deconvolution of In3d signal to trace the presence of InN native oxide for different types of polarity and capping. Downwards surface energy band bending was observed on bare samples with native oxide, regardless of the polarity. It was found that the In-polar InN surface is most readily oxidized, however, with only slightly less band bending if compared with the N-polar sample. On the other hand, InN surface oxidation was effectively mitigated by GaN capping. Still, as confirmed by ultra-violet photo-electron spectroscopy and by energy band diagram calculations, thin GaN cap layer may provide negative piezoelectric polarization charge at the GaN/InN hetero-interface of the N-polar sample, in addition to the passivation effect. These effects raised the band diagram up by about 0.65 eV, reaching a flat-band profile.

  15. Band bending in conjugated polymer layers.

    PubMed

    Lange, Ilja; Blakesley, James C; Frisch, Johannes; Vollmer, Antje; Koch, Norbert; Neher, Dieter

    2011-05-27

    We use the Kelvin probe method to study the energy-level alignment of four conjugated polymers deposited on various electrodes. Band bending is observed in all polymers when the substrate work function exceeds critical values. Through modeling, we show that the band bending is explained by charge transfer from the electrodes into a small density of states that extends several hundred meV into the band gap. The energetic spread of these states is correlated with charge-carrier mobilities, suggesting that the same states also govern charge transport in the bulk of these polymers.

  16. An investigation of CO2 splitting using nanosecond pulsed corona discharge: effect of argon addition on CO2 conversion and energy efficiency

    NASA Astrophysics Data System (ADS)

    Moss, M. S.; Yanallah, K.; Allen, R. W. K.; Pontiga, F.

    2017-03-01

    The plasma chemical splitting of carbon dioxide (CO2) to produce carbon monoxide (CO) in a pulsed corona discharge was investigated from both an experimental and a numerical standpoint. High voltage nanosecond pulses were applied to a stream of pure CO2 and its mixture with argon, and the gaseous products were identified using Fourier transform infrared spectroscopy. Due to the shape of pulses, the process of CO2 splitting was found to proceed in two phases. The first phase is dominated by ionization, which generates a high electron density. Then, during the second phase, direct electron impact dissociation of CO2 contributes to a large portion of CO production. Conversion and energy efficiency were calculated for the tested conditions. The conversions achieved are comparable to those obtained using other high pressure non-thermal discharges, such as dielectric barrier discharge. However, the energy efficiencies were considerably higher, which are favorable to industrial applications that require atmospheric conditions and elevated gas flow rates.

  17. Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: equilateral triangle and collinear configurations.

    PubMed

    Salam, A

    2013-12-28

    The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-ordered diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R(-11) dependence on separation distance for the DDQ interaction, and an R(-13) behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R(-1) in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.

  18. Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

    SciTech Connect

    Salam, A.

    2013-12-28

    The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-ordered diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.

  19. 5 CFR 9701.344 - Special within-band increases.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 5 Administrative Personnel 3 2013-01-01 2013-01-01 false Special within-band increases. 9701.344... within-band increases. DHS may issue implementing directives regarding special within-band basic pay... other circumstances determined by DHS. Increases under this section are in addition to any...

  20. 5 CFR 9701.344 - Special within-band increases.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 5 Administrative Personnel 3 2014-01-01 2014-01-01 false Special within-band increases. 9701.344... within-band increases. DHS may issue implementing directives regarding special within-band basic pay... other circumstances determined by DHS. Increases under this section are in addition to any...

  1. Spectroscopic and sub optical band gap properties of e-beam irradiated ultra-high molecular weight polyethylene

    NASA Astrophysics Data System (ADS)

    Khan, Hamna; Gahfoor, Bilal; Mehmood, Malik Sajjad; Ahmad, Manzoor; Yasin, Tariq; Ikram, Masroor

    2015-12-01

    Muller matrix spectro-polarimeter has been used to study the absorption behavior of pristine and e-beam irradiated (30, 65,100 kGy) ultra-high molecular weight polyethylene (UHMWPE) over the visible spectral range i.e. 400-800 nm. As a result, significant changes occur in the absorption behavior of irradiated samples due to radiation induced physical and chemical changes. To analyze these (radiation induced) changes in polymer matrix, Urbach edge method is employed for the calculation of optical activation energy. In addition to this, direct and indirect energy band gaps along the number of carbon atoms in C=C unsaturation have been determined by using modified Urbach formula and Tauc's equation, respectively. The results obtained during study reveal that Urbach energy decreases with radiation treatment and has a lower value for 100 kGy sample i.e. Eu=71.63 meV. The values of direct and indirect energy band gaps are also following the decreasing trend with e-beam irradiation. Moreover, indirect energy gaps are found to have lower values as compared to direct energy gaps. The number of carbon atoms in clusters (as estimated from modified Tauc's equation) has been found to vary from ∼6 to 8 for direct energy band gaps and from ∼9 to 11 for indirect energy band gaps.

  2. Quadratic band touching points and flat bands in two-dimensional topological Floquet systems

    NASA Astrophysics Data System (ADS)

    Du, Liang; Zhou, Xiaoting; Fiete, Gregory A.

    2017-01-01

    In this paper we theoretically study, using Floquet-Bloch theory, the influence of circularly and linearly polarized light on two-dimensional band structures with Dirac and quadratic band touching points, and flat bands, taking the nearest neighbor hopping model on the kagome lattice as an example. We find circularly polarized light can invert the ordering of this three-band model, while leaving the flat band dispersionless. We find a small gap is also opened at the quadratic band touching point by two-photon and higher order processes. By contrast, linearly polarized light splits the quadratic band touching point (into two Dirac points) by an amount that depends only on the amplitude and polarization direction of the light, independent of the frequency, and generally renders dispersion to the flat band. The splitting is perpendicular to the direction of the polarization of the light. We derive an effective low-energy theory that captures these key results. Finally, we compute the frequency dependence of the optical conductivity for this three-band model and analyze the various interband contributions of the Floquet modes. Our results suggest strategies for optically controlling band structure and interaction strength in real systems.

  3. Iliotibial band friction syndrome

    PubMed Central

    2010-01-01

    Published articles on iliotibial band friction syndrome have been reviewed. These articles cover the epidemiology, etiology, anatomy, pathology, prevention, and treatment of the condition. This article describes (1) the various etiological models that have been proposed to explain iliotibial band friction syndrome; (2) some of the imaging methods, research studies, and clinical experiences that support or call into question these various models; (3) commonly proposed treatment methods for iliotibial band friction syndrome; and (4) the rationale behind these methods and the clinical outcome studies that support their efficacy. PMID:21063495

  4. Universality of Mallmann correlations for nuclear band structures

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Zamfir, N. V.; Cǎta-Danil, G.; Ivaşcu, M.; Mǎrginean, N.

    2008-11-01

    It is shown that the Mallmann's energy ratio correlations, first time proposed 50 years ago for the ground state bands of the even-even nuclei, are universal: all band structures in collective nuclei obey the same systematics. Based on a second order anharmonic vibrator description, parameter-free recurrence relations are proposed for Mallmann-type energy ratios, which can be used to extrapolate band structures to higher spin.

  5. Universality of Mallmann correlations for nuclear band structures

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Zamfir, N. V.; Căta-Danil, G.; Ivaşcu, M.; Mărginean, N.

    2008-10-01

    It is shown that the Mallmann's energy ratio correlations, for the first time observed for the ground state band of the even-even nuclei, are universal: various band structures in all collective nuclei obey the same systematics, and consequently the same spin dependence. Based on a second order anharmonic vibrator description, parameter-free recurrence relations between Mallmann-type energy ratios are deduced, which can be used to extrapolate bands to higher spin.

  6. The spin-forbidden a 4Π(nu =13-15) and b 4Sigma - (nu =3) <-- X 2Π(nu =0) bands of nitric oxide: A new scheme for quantum state-specific high-resolution kinetic energy measurements

    NASA Astrophysics Data System (ADS)

    Drabbels, Marcel; Morgan, C. G.; Wodtke, A. M.

    1995-11-01

    A new scheme for performing high-resolution kinetic energy measurements on single quantum states of NO is described. Laser excitation of the a 4Π(ν=13-15) and b 4Σ-(ν=3)←X 2Π(ν=0) spin-forbidden bands has been used to produce NO a 4Π, either by direct excitation or after excitation to NO b 4Σ- followed by b→a emission. The sensitivity is compared to previous experiments on CO, employing the forbidden Cameron system. In the course of these experiments, three previously unknown vibronic levels of the a 4Π state were observed for which high precision molecular constants have been obtained. The derived molecular constants have been used to construct a chemically accurate RKR potential for the a 4Π state to within 0.2 eV of the dissociation limit. In addition, the electric dipole moments for the a 4Π(ν=13-14) levels have been determined. By comparing the experimental results with two ab initio calculations, the polarity of the dipole moment of the a 4Π state at equilibrium separation could be determined. A set of supplementary molecular beam laser-induced fluorescence studies on the b 4Σ-(ν=3)←X 2Π(ν=0) band were also carried out. These allowed the fluorescence lifetime of b 4Σ-(ν=3) state to be obtained under collision-free conditions and the electronic origin of the quartet manifold to be determined within 0.03 cm-1.

  7. Halogen-free bis(imidazolium)/bis(ammonium)-di[bis(salicylato)borate] ionic liquids as energy-efficient and environmentally friendly lubricant additives.

    PubMed

    Gusain, Rashi; Gupta, Piyush; Saran, Sandeep; Khatri, Om P

    2014-09-10

    Bis(imidazolium)- and bis(ammonium)-di[bis(salicylato)borate] ionic liquids with variable alkyl chain and cyclic ring structures, were synthesized and then evaluated them as potential lubricant additives. The copper strip test results revealed noncorrosive properties of these ionic liquids. Introduction of halogen content in bis(imidazolium) ionic liquid by replacement of bis(salicylato)borate (BScB) anion with hexafluorophosphate (PF6(-)), severely corroded the copper strip. Thermogravimetric results showed that bis(imidazolium) ionic liquids exhibited higher thermal stability than bis(ammonium) ionic liquids owing to compact structure provided by imidazolium rings, higher intermolecular interactions, smaller free volume and low steric hindrance. The lubrication properties of these ionic liquids as additives to synthetic lubricant poly(ethylene) glycol (PEG 200) were evaluated for steel balls. Results showed that bis(ammonium)- and bis(imidazolium)-(BScB)2 ionic liquids as additives significantly reduced both friction coefficient and wear of PEG 200. The structure of cations, particularly the variation in substituted alkyl chain length monitored the degree of reduction in friction and wear. The excellent lubrication properties were attributed to the formation of adsorbed tribo-thin film and tribochemical product during the tribo-contact. Being halogen-, phosphorus-, and sulfur-free, these ionic liquids (a) protects contact surfaces from tribo-corrosive events, (b) reduces the friction and wear, and (c) keep environment green and clean.

  8. Energy.

    ERIC Educational Resources Information Center

    Shanebrook, J. Richard

    This document describes a course designed to acquaint students with the many societal and technological problems facing the United States and the world due to the increasing demand for energy. The course begins with a writing assignment that involves readings on the environmental philosophy of Native Americans and the Chernobyl catastrophe.…

  9. Calculation of ionization energy, electron affinity, and hydride affinity trends in pincer-ligated d(8)-Ir((tBu4)PXCXP) complexes: implications for the thermodynamics of oxidative H2 addition.

    PubMed

    Baroudi, Abdulkader; El-Hellani, Ahmad; Bengali, Ashfaq A; Goldman, Alan S; Hasanayn, Faraj

    2014-12-01

    DFT methods are used to calculate the ionization energy (IE) and electron affinity (EA) trends in a series of pincer ligated d(8)-Ir((tBu4)PXCXP) complexes (1-X), where C is a 2,6-disubstituted phenyl ring with X = O, NH, CH2, BH, S, PH, SiH2, and GeH2. Both C2v and C2 geometries are considered. Two distinct σ-type ((2)A1 or (2)A) and π-type ((2)B1 or (2)B) electronic states are calculated for each of the free radical cation and anion. The results exhibit complex trends, but can be satisfactorily accounted for by invoking a combination of electronegativity and specific π-orbital effects. The calculations are also used to study the effects of varying X on the thermodynamics of oxidative H2 addition to 1-X. Two closed shell singlet states differentiated in the C2 point group by the d(6)-electon configuration are investigated for the five-coordinate Ir(III) dihydride product. One electronic state has a d(6)-(a)(2)(b)(2)(b)(2) configuration and a square pyramidal geometry, the other a d(6)-(a)(2)(b)(2)(a)(2) configuration with a distorted-Y trigonal bipyramidal geometry. No simple correlations are found between the computed reaction energies of H2 addition and either the IEs or EAs. To better understand the origin of the computed trends, the thermodynamics of H2 addition are analyzed using a cycle of hydride and proton addition steps. The analysis highlights the importance of the electron and hydride affinities, which are not commonly used in rationalizing trends of oxidative addition reactions. Thus, different complexes such as 1-O and 1-CH2 can have very similar reaction energies for H2 addition arising from opposing hydride and proton affinity effects. Additional calculations on methane C-H bond addition to 1-X afford reaction and activation energy trends that correlate with the reaction energies of H2 addition leading to the Y-product.

  10. CSF oligoclonal banding

    MedlinePlus

    ... system. Oligoclonal bands may be a sign of multiple sclerosis. How the Test is Performed A sample of ... Performed This test helps support the diagnosis of multiple sclerosis (MS). However, it does not confirm the diagnosis. ...

  11. Polygonal deformation bands

    NASA Astrophysics Data System (ADS)

    Antonellini, Marco; Mollema, Pauline Nella

    2015-12-01

    We report for the first time the occurrence of polygonal faults in sandstone, which is compelling given that layer-bound polygonal fault systems have been observed so far only in fine-grained sediments such as clay and chalk. The polygonal faults are shear deformation bands that developed under shallow burial conditions via strain hardening in dm-wide zones. The edges of the polygons are 1-5 m long. The shear deformation bands are organized as conjugate faults along each edge of the polygon and form characteristic horst-like structures. The individual deformation bands have slip magnitudes ranging from a few mm to 1.5 cm; the cumulative average slip magnitude in a zone is up to 10 cm. The deformation bands heaves, in aggregate form, accommodate a small isotropic horizontal extension (strain <0.005). The individual shear deformation bands show abutting T-junctions, veering, curving, and merging where they mechanically interact. Crosscutting relationships are rare. The interactions of the deformation bands are similar to those of mode I opening fractures. The documented fault networks have important implications for evaluating the geometry of km-scale polygonal fault systems in the subsurface, top seal integrity, as well as constraining paleo-tectonic stress regimes.

  12. Lunar Noise-Temperature Increase Measurements at S-Band, X-Band, and Ka-Band Using a 34-Meter-Diameter Beam-Waveguide Antenna

    NASA Astrophysics Data System (ADS)

    Morabito, D. D.

    2006-08-01

    The Moon radiates energy at infrared and microwave wavelengths, in addition to reflecting sunlight at optical wavelengths. As a result, an antenna pointed at or near the Moon will cause an increase in receiver noise temperature that needs to be accounted for in telemetry, radio science, or ranging link budgets. The Deep Space Network may be required to use its antennas in future lunar robotic or human missions, and thus it is important to understand the nature of this temperature increase as a function of observing frequency, lunar phase, and angular offset of the antenna beam from the center of the lunar disk. This article quantifies such a set of measurements acquired at DSS 13, a 34-m-diameter research and development beam-waveguide antenna located at Goldstone, California, at three different telecommunication frequencies, S-band (2.3 GHz), X-band (8.4 GHz), and Ka-band (32 GHz), over a wide range of lunar phase, for both disk-centered and limb-centered positions of the antenna beam.

  13. Around the back-bend in an excited {sup 150}Gd superdeformed band

    SciTech Connect

    Twin, P.J.; Ertuerk, S.; Beausang, C.W.

    1996-12-01

    The excited superdeformed band (band 5) in {sup 150}Gd has a discontinuity (back-bend) in the smooth variation of gamma-ray energy with spin at around 1 MeV. It has been established that the band also has a decay branch that is probably a continuation of band 5 below the back-bend. Gamma-rays have been identified which link band 5 with the yrast superdeformed band in {sup 150}Gd.

  14. 10 CFR 810.14 - Additional information.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The Department of Energy may at any time require a person engaging in any generally or specifically...

  15. 10 CFR 810.14 - Additional information.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The Department of Energy may at any time require a person engaging in any generally or specifically...

  16. Sizable band gap in organometallic topological insulator

    NASA Astrophysics Data System (ADS)

    Derakhshan, V.; Ketabi, S. A.

    2017-01-01

    Based on first principle calculation when Ceperley-Alder and Perdew-Burke-Ernzerh type exchange-correlation energy functional were adopted to LSDA and GGA calculation, electronic properties of organometallic honeycomb lattice as a two-dimensional topological insulator was calculated. In the presence of spin-orbit interaction bulk band gap of organometallic lattice with heavy metals such as Au, Hg, Pt and Tl atoms were investigated. Our results show that the organometallic topological insulator which is made of Mercury atom shows the wide bulk band gap of about ∼120 meV. Moreover, by fitting the conduction and valence bands to the band-structure which are produced by Density Functional Theory, spin-orbit interaction parameters were extracted. Based on calculated parameters, gapless edge states within bulk insulating gap are indeed found for finite width strip of two-dimensional organometallic topological insulators.

  17. Different Effect of the Additional Electron-Withdrawing Cyano Group in Different Conjugation Bridge: The Adjusted Molecular Energy Levels and Largely Improved Photovoltaic Performance.

    PubMed

    Li, Huiyang; Fang, Manman; Hou, Yingqin; Tang, Runli; Yang, Yizhou; Zhong, Cheng; Li, Qianqian; Li, Zhen

    2016-05-18

    Four organic sensitizers (LI-68-LI-71) bearing various conjugated bridges were designed and synthesized, in which the only difference between LI-68 and LI-69 (or LI-70 and LI-71) was the absence/presence of the CN group as the auxiliary electron acceptor. Interestingly, compared to the reference dye of LI-68, LI-69 bearing the additional CN group exhibited the bad performance with the decreased Jsc and Voc values. However, once one thiophene moiety near the anchor group was replaced by pyrrole with the electron-rich property, the resultant LI-71 exhibited a photoelectric conversion efficiency increase by about 3 folds from 2.75% (LI-69) to 7.95% (LI-71), displaying the synergistic effect of the two moieties (CN and pyrrole). Computational analysis disclosed that pyrrole as the auxiliary electron donor (D') in the conjugated bridge can compensate for the lower negative charge in the electron acceptor, which was caused by the CN group as the electron trap, leading to the more efficient electron injection and better photovoltaic performance.

  18. Antibacterial nanosilver coated orthodontic bands with potential implications in dentistry

    PubMed Central

    Prabha, Rahul Damodaran; Kandasamy, Rajasigamani; Sivaraman, U. Sajeev; Nandkumar, Maya A.; Nair, Prabha D.

    2016-01-01

    Background & objectives: Fixed orthodontic treatment, an indispensable procedure in orthodontics, necessitates insertion of dental bands. Insertion of band material could also introduce a site of plaque retention. It was hypothesized that band materials with slow-release antimicrobial properties could help in sustained infection control, prevention of dental plaque formation and further associated health risks. Considering the known antimicrobial proprieties of silver, a coating of silver nanoparticle (SNP) onto the stainless steel bands was done and characterized for its beneficial properties in the prevention of plaque accumulation. Methods: Coatings of SNPs on conventional stainless steel dental bands were prepared using thermal evaporation technology. The coated dental bands were characterized for their physicochemical properties and evaluated for antimicrobial activity and biocompatibility. The physiochemical characterization of band material both coated and uncoated was carried out using scanning electron microscope, energy dispersive spectroscopy, atomic force microscopyand contact angle test. Biocompatibility tests for coated band material were carried using L929 mouse fibroblast cell culture and MTT [3-(4, 5-dimethyl thiazol-2-yl)-2, 5-diphenyl tetrazolium bromide] assay. Antimicrobial activity of coated band material against Gram-positive bacteria was tested. Results: A stable and uniform coating of SNPs was obtained. The coated band materials were biocompatible as well as possessed distinct antimicrobial activity. Interpretation & conclusions: The SNP coated dental bands could be potential antimicrobial dental bands for future clinical use. Further studies need to be done to validate the efficiency of coated band materials in oral environments. PMID:28256467

  19. Band nonparabolicity effect on spectral properties of quantum ring

    NASA Astrophysics Data System (ADS)

    García, L. F.; Revinova, S. Yu.; Mikhailov, I. D.

    2017-03-01

    We study the effect of the non-parabolicity of the conduction band and of the interband mixing, on the Aharonov Bohm oscillations of the energy levels of a volcano-shaped thin layer, made of InAs material and deposited on the GaAs substrate, by using the Kane model. We derive a simple interpolative relationship between geometrical parameters of the layer and the confinement potential governing the in-plane electron's movement, which allows us to separate the non-linear energy confinement problem in a volcano-shaped structure with a special geometry. Our results show that the nonparabolicity of dispersion of the conduction band, given by the Kane formula, conduces to a significant lowering of the charge carriers' energies and their stronger localization inside the ring. On the contrary, the nonparabolicity almost does not change neither the amplitude nor the period of the Aharonov Bohm oscillations. Additionally, we analyze the interplay between the localization and tunneling of the charge carriers, generated by the external magnetic field in structures with radially directed single, double and quadruple valleys.

  20. Direct observation of asymmetric band structure of bilayer graphene through quantum capacitance measurements

    NASA Astrophysics Data System (ADS)

    Kanayama, Kaoru; Nagashio, Kosuke; Nishimura, Tomonori; Toriumi, Akira

    2014-03-01

    Although upper conduction and valence sub-bands in bilayer graphene are known to be asymmetric, a detailed analysis based on the electrical measurements is very limited due to the infirm quality of gate insulator. In this study, the electrical quality of the top-gate Y2O3 insulator is drastically improved by the high-pressure O2 post-deposition annealing at 100 atm and the carrier density of ~8*1013 cm-2 is achieved. In quantum capacitance measurements, the drastic increase of the density of states is observed in addition to the van Hove singularity, suggesting that the Fermi energy reaches upper sub-band. At the same carrier density, the sudden reduction of the conductivity is observed, indicating that the inter-band scattering occurs. The estimated carrier density required to fill the upper sub-bands is different between electron and hole sides, i.e., asymmetric band structure between upper conduction and valence bands is revealed by the electrical measurements.

  1. Band Offsets of a Ruthenium Gate on Ultrathin High-k Oxide Films on Silicon

    SciTech Connect

    Rangan, S.; Bersch, W; Bartynski, R; Garfunkel, E; Vescovo, E

    2009-01-01

    Valence-band and conduction-band edges of ultrathin oxides and their shifts upon sequential metallization with ruthenium have been measured using synchrotron-radiation-excited x-ray, ultraviolet, and inverse photoemissions. From these techniques, the offsets between the valence-band and conduction-band edges of the oxides, and the ruthenium metal gate Fermi edge have been directly measured. In addition the core levels of the oxides and the ruthenium have been characterized. Upon deposition, Ru remains metallic and no chemical alteration of the underlying oxide gates, or interfacial SiO{sub 2} in the case of the high-? thin films, can be detected. However a clear shift of the band edges is measured for all samples due to the creation of an interface dipole at the ruthenium-oxide interface. Using the energy gap, the electron affinity of the oxides, and the ruthenium work function that have been directly measured on these samples, the experimental band offsets are compared to those predicted by the induced gap states model.

  2. Insights on the Cuprate High Energy Anomaly Observed in ARPES

    SciTech Connect

    Moritz, Brian

    2011-08-16

    Recently, angle-resolved photoemission spectroscopy has been used to highlight an anomalously large band renormalization at high binding energies in cuprate superconductors: the high energy 'waterfall' or high energy anomaly (HEA). The anomaly is present for both hole- and electron-doped cuprates as well as the half-filled parent insulators with different energy scales arising on either side of the phase diagram. While photoemission matrix elements clearly play a role in changing the aesthetic appearance of the band dispersion, i.e. creating a 'waterfall'-like appearance, they provide an inadequate description for the physics that underlies the strong band renormalization giving rise to the HEA. Model calculations of the single-band Hubbard Hamiltonian showcase the role played by correlations in the formation of the HEA and uncover significant differences in the HEA energy scale for hole- and electron-doped cuprates. In addition, this approach properly captures the transfer of spectral weight accompanying doping in a correlated material and provides a unifying description of the HEA across both sides of the cuprate phase diagram. We find that the anomaly demarcates a transition, or cross-over, from a quasiparticle band at low binding energies near the Fermi level to valence bands at higher binding energy, assumed to be of strong oxygen character.

  3. Engineering the Electronic Band Structure for Multiband Solar Cells

    SciTech Connect

    Lopez, N.; Reichertz, L.A.; Yu, K.M.; Campman, K.; Walukiewicz, W.

    2010-07-12

    Using the unique features of the electronic band structure of GaNxAs1-x alloys, we have designed, fabricated and tested a multiband photovoltaic device. The device demonstrates an optical activity of three energy bands that absorb, and convert into electrical current, the crucial part of the solar spectrum. The performance of the device and measurements of electroluminescence, quantum efficiency and photomodulated reflectivity are analyzed in terms of the Band Anticrossing model of the electronic structure of highly mismatched alloys. The results demonstrate the feasibility of using highly mismatched alloys to engineer the semiconductor energy band structure for specific device applications.

  4. Engineering the electronic band structure for multiband solar cells.

    PubMed

    López, N; Reichertz, L A; Yu, K M; Campman, K; Walukiewicz, W

    2011-01-14

    Using the unique features of the electronic band structure of GaN(x)As(1-x) alloys, we have designed, fabricated and tested a multiband photovoltaic device. The device demonstrates an optical activity of three energy bands that absorb, and convert into electrical current, the crucial part of the solar spectrum. The performance of the device and measurements of electroluminescence, quantum efficiency and photomodulated reflectivity are analyzed in terms of the band anticrossing model of the electronic structure of highly mismatched alloys. The results demonstrate the feasibility of using highly mismatched alloys to engineer the semiconductor energy band structure for specific device applications.

  5. Enhanced transmittance of a dual pass-band metamaterial filter

    NASA Astrophysics Data System (ADS)

    Wang, XiaoZhi; Zhu, Honghui; Liu, Zhigang

    2017-03-01

    A broad pass-band metamaterial-based optical filter is experimentally and numerically studied. The designed structure consists of periodically arranged composite metallic arrays and dielectric layer that exhibits transmission responses composed of two flat pass-bands. The coupling of localized surface plasmon (LSP) modes results in the low-frequency pass-band, while the internal surface plasmon polaritons (ISPPs) between the upper and lower metal layers leads to the high-frequency pass-band. Structural parameters (L and R) are experimentally considered from the viewpoint of exploiting their effects on the pass-bands and resonance frequencies. The bandwidths of these pass-bands both can reach to maximums by optimization of these structural parameters. In addition, the two pass-bands can be modulated to be a single pass-band with a bandwidth of 10.7 THz by optimizing L and R simultaneously.

  6. Characterization of total flare energy

    NASA Technical Reports Server (NTRS)

    Hudson, H. S.

    1986-01-01

    It is concluded that the estimates of total energy in the prime flares lie well below the Active Cavity Radiometer Irradiance Monitor upper limits. This is consistent with our knowledge of the energy distribution in solar flares. Insufficient data exist for us to be very firm about this conclusion, however, and major energetic components could exist undetected, especially in the EUV-XUV and optical bands. In addition, the radiant energy cannot quantitatively be compared at this time with non-radiant terms because of even larger uncertainties in the latter.

  7. Banded transformer cores

    NASA Technical Reports Server (NTRS)

    Mclyman, C. W. T. (Inventor)

    1974-01-01

    A banded transformer core formed by positioning a pair of mated, similar core halves on a supporting pedestal. The core halves are encircled with a strap, selectively applying tension whereby a compressive force is applied to the core edge for reducing the innate air gap. A dc magnetic field is employed in supporting the core halves during initial phases of the banding operation, while an ac magnetic field subsequently is employed for detecting dimension changes occurring in the air gaps as tension is applied to the strap.

  8. RCSED—A Value-added Reference Catalog of Spectral Energy Distributions of 800,299 Galaxies in 11 Ultraviolet, Optical, and Near-infrared Bands: Morphologies, Colors, Ionized Gas, and Stellar Population Properties

    NASA Astrophysics Data System (ADS)

    Chilingarian, Igor V.; Zolotukhin, Ivan Yu.; Katkov, Ivan Yu.; Melchior, Anne-Laure; Rubtsov, Evgeniy V.; Grishin, Kirill A.

    2017-02-01

    We present RCSED, the value-added Reference Catalog of Spectral Energy Distributions of galaxies, which contains homogenized spectrophotometric data for 800,299 low- and intermediate-redshift galaxies (0.007< z< 0.6) selected from the Sloan Digital Sky Survey spectroscopic sample. Accessible from the Virtual Observatory (VO) and complemented with detailed information on galaxy properties obtained with state-of-the-art data analysis, RCSED enables direct studies of galaxy formation and evolution over the last 5 Gyr. We provide tabulated color transformations for galaxies of different morphologies and luminosities, and analytic expressions for the red sequence shape in different colors. RCSED comprises integrated k-corrected photometry in up to 11 ultraviolet, optical, and near-infrared bands published by the GALEX, SDSS, and UKIDSS wide-field imaging surveys; results of the stellar population fitting of SDSS spectra including best-fitting templates, velocity dispersions, parameterized star formation histories, and stellar metallicities computed for instantaneous starburst and exponentially declining star formation models; parametric and non-parametric emission line fluxes and profiles; and gas phase metallicities. We link RCSED to the Galaxy Zoo morphological classification and galaxy bulge+disk decomposition results of Simard et al. We construct the color–magnitude, Faber–Jackson, and mass–metallicity relations; compare them with the literature; and discuss systematic errors of the galaxy properties presented in our catalog. RCSED is accessible from the project web site and via VO simple spectrum access and table access services using VO-compliant applications. We describe several examples of SQL queries to the database. Finally, we briefly discuss existing and future scientific applications of RCSED and prospective catalog extensions to higher redshifts and different wavelengths. .

  9. Transition-metal-substituted indium thiospinels as novel intermediate-band materials: prediction and understanding of their electronic properties.

    PubMed

    Palacios, P; Aguilera, I; Sánchez, K; Conesa, J C; Wahnón, P

    2008-07-25

    Results of density-functional calculations for indium thiospinel semiconductors substituted at octahedral sites with isolated transition metals (M=Ti,V) show an isolated partially filled narrow band containing three t2g-type states per M atom inside the usual semiconductor band gap. Thanks to this electronic structure feature, these materials will allow the absorption of photons with energy below the band gap, in addition to the normal light absorption of a semiconductor. To our knowledge, we demonstrate for the first time the formation of an isolated intermediate electronic band structure through M substitution at octahedral sites in a semiconductor, leading to an enhancement of the absorption coefficient in both infrared and visible ranges of the solar spectrum. This electronic structure feature could be applied for developing a new third-generation photovoltaic cell.

  10. Extreme narrow photonic bands and strong photonic localization produced by 2D defect two-segment-connected quadrangular waveguide networks

    NASA Astrophysics Data System (ADS)

    Li, Zhaoyang; Yang, Xiangbo; Timon Liu, Chengyi

    2014-09-01

    In this paper, we investigate the properties of optical transmission and photonic localization of two-dimensional (2D) defect two-segment-connected quadrangular waveguide networks (DTSCQWNs) and find that many groups of extreme narrow photonic bands are created in the middle of the transmission spectra. The electromagnetic (EM) waves in DTSCQWNs with the frequencies of extreme narrow photonic bands can produce strong photonic localizations by adjusting defect broken degree. On the other hand, we obtain the formula of extreme narrow photonic bands' frequencies dependent on defect broken degree and the formula of the largest intensity of photonic localization dependent on defect broken degree, respectively. It may possess potential application for designing all-optical devices based on strong photonic localizations. Additionally, we propose a so-called defecton mode to study the splitting rules of extreme narrow photonic bands, where decomposition-decimation method is expanded from the field of electronic energy spectra to that of optical transmission spectra.

  11. A new silicon phase with direct band gap and novel optoelectronic properties

    SciTech Connect

    Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

    2015-09-23

    Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~104 cm/V · s) at room temperature and a low mass density (1.71 g/cm3), making it a promising material for optoelectronic applications.

  12. A new silicon phase with direct band gap and novel optoelectronic properties

    DOE PAGES

    Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; ...

    2015-09-23

    Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~104 cm/V · s) at room temperature and a low mass density (1.71 g/cm3), making it a promising materialmore » for optoelectronic applications.« less

  13. Band structure and Fermi surface of electron-doped C60 monolayers.

    PubMed

    Yang, W L; Brouet, V; Zhou, X J; Choi, Hyoung J; Louie, Steven G; Cohen, Marvin L; Kellar, S A; Bogdanov, P V; Lanzara, A; Goldoni, A; Parmigiani, F; Hussain, Z; Shen, Z-X

    2003-04-11

    C60 fullerides are challenging systems because both the electron-phonon and electron-electron interactions are large on the energy scale of the expected narrow band width. We report angle-resolved photoemission data on the band dispersion for an alkali-doped C60 monolayer and a detailed comparison with theory. Compared to the maximum bare theoretical band width of 170 meV, the observed 100-meV dispersion is within the range of renormalization by electron-phonon coupling. This dispersion is only a fraction of the integrated peak width, revealing the importance of many-body effects. Additionally, measurements on the Fermi surface indicate the robustness of the Luttinger theorem even for materials with strong interactions.

  14. Multi-Band-SWIFT

    NASA Astrophysics Data System (ADS)

    Idiyatullin, Djaudat; Corum, Curtis A.; Garwood, Michael

    2015-02-01

    A useful extension to SWIFT (SWeep Imaging with Fourier Transformation) utilizing sidebands of the excitation pulse is introduced. This MRI method, called Multi-Band-SWIFT, achieves much higher bandwidth than standard SWIFT by using multiple segmented excitations (bands) of the field of view. A description of the general idea and variants of the pulse sequence are presented. From simulations and semi-phenomenological theory, estimations of power deposition and signal-to-noise ratio are made. MB-SWIFT and ZTE (zero-TE) sequences are compared based on images of a phantom and human mandible. Multi-Band-SWIFT provides a bridge between SWIFT and ZTE sequences and allows greatly increased excitation and acquisition bandwidths relative to standard SWIFT for the same hardware switching parameters and requires less peak amplitude of the radiofrequency field (or greater flip angle at same peak amplitude) as compared to ZTE. Multi-Band-SWIFT appears to be an attractive extension of SWIFT for certain musculoskeletal and other medical imaging applications, as well as for imaging materials.

  15. Multi-Band-SWIFT.

    PubMed

    Idiyatullin, Djaudat; Corum, Curtis A; Garwood, Michael

    2015-02-01

    A useful extension to SWIFT (SWeep Imaging with Fourier Transformation) utilizing sidebands of the excitation pulse is introduced. This MRI method, called Multi-Band-SWIFT, achieves much higher bandwidth than standard SWIFT by using multiple segmented excitations (bands) of the field of view. A description of the general idea and variants of the pulse sequence are presented. From simulations and semi-phenomenological theory, estimations of power deposition and signal-to-noise ratio are made. MB-SWIFT and ZTE (zero-TE) sequences are compared based on images of a phantom and human mandible. Multi-Band-SWIFT provides a bridge between SWIFT and ZTE sequences and allows greatly increased excitation and acquisition bandwidths relative to standard SWIFT for the same hardware switching parameters and requires less peak amplitude of the radiofrequency field (or greater flip angle at same peak amplitude) as compared to ZTE. Multi-Band-SWIFT appears to be an attractive extension of SWIFT for certain musculoskeletal and other medical imaging applications, as well as for imaging materials.

  16. Banded Sunflower Moth

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The banded sunflower moth, Cochylis hospes Walsingham, is an important insect pest of cultivated sunflower. Eggs are deposited on the bracts of sunflower heads. Larvae develop through five instars within the heads and are present in fields from mid-July to mid-September. Larvae feed initially on the...

  17. Accurate band-to-band registration of AOTF imaging spectrometer using motion detection technology

    NASA Astrophysics Data System (ADS)

    Zhou, Pengwei; Zhao, Huijie; Jin, Shangzhong; Li, Ningchuan

    2016-05-01

    This paper concerns the problem of platform vibration induced band-to-band misregistration with acousto-optic imaging spectrometer in spaceborne application. Registrating images of different bands formed at different time or different position is difficult, especially for hyperspectral images form acousto-optic tunable filter (AOTF) imaging spectrometer. In this study, a motion detection method is presented using the polychromatic undiffracted beam of AOTF. The factors affecting motion detect accuracy are analyzed theoretically, and calculations show that optical distortion is an easily overlooked factor to achieve accurate band-to-band registration. Hence, a reflective dual-path optical system has been proposed for the first time, with reduction of distortion and chromatic aberration, indicating the potential of higher registration accuracy. Consequently, a spectra restoration experiment using additional motion detect channel is presented for the first time, which shows the accurate spectral image registration capability of this technique.

  18. Effects of segregation and impact of specific feeding behaviour and additional fruit on voluntary nutrient and energy intake in yellow-shouldered amazons (Amazona barbadensis) when fed a multi-component seed diet ad libitum.

    PubMed

    Kalmar, I D; Veys, A C; Geeroms, B; Reinschmidt, M; Waugh, D; Werquin, G; Janssens, G P J

    2010-12-01

    Parrots are commonly fed multi-component seed diets; however, both segregation and feeding behaviour might alter ingredient and nutrient composition of the offered diet. First, the nutritional impact of segregation was assessed as it occurs when multi-component diets are temporarily stored in food containers that are replenished before completely emptied and birds being fed from the upper layer. The most detrimental effect hereof was a vast decrease in mineral supplements, leading to a decrease in Ca:P ratio in the offered food in relation to the formulated diet. Next, caloric distribution shifted towards more EE energy at the expense of NFE energy, as proportion of oilseeds increased and NFE-rich seeds decreased. Next, a feeding trial was performed on six yellow-shouldered amazons (Amazona Barbadensis) in which nutritional impact of parrot-specific feeding behaviour was assessed as well as the influence of additional provision of fruit next to the seed mixture. Profound selective feeding behaviour and dehusking of seeds resulted in a vast increase in energetic density by up to 64% in the ingested fraction in relation to the offered mixture in toto. Furthermore, the already suboptimal Ca:P ratio further deteriorated and caloric distribution shifted by over twofold towards EE energy accompanied with a vast decline in NFE energy, CP energy remaining similar. Finally, provision of fruit next to the seed diet significantly lowered voluntary energy intake from 936 ± 71 to 809 ± 109 kJ ME/kg(0.75)/day, without compromising adequate protein intake. In conclusion, notwithstanding efforts of nutritionists to formulate diets to approximate estimated, species-specific requirements, nutritional composition of the actually consumed fraction of multi-component seed diets can be vastly deteriorated by both animal and management factors. Furthermore, offering of fruit next to a seed-based diet effectively reduces voluntary energy intake and can hence be applied to abate obesity.

  19. Ultrafast vibrational relaxation of liquid H 2O following librational combination band excitation

    NASA Astrophysics Data System (ADS)

    Chieffo, L.; Shattuck, J.; Amsden, J. J.; Erramilli, S.; Ziegler, L. D.

    2007-11-01

    Dispersed pump-probe responses excited by ˜165 fs pulses resonant with the bend-libration combination band in neat H 2O centered at 2130 cm -1 are reported. This is the first IR pump-probe study of the energy relaxation dynamics in this region of the liquid water spectrum. The observed transient responses are best described by a kinetic model where the initial combination band energy relaxes via a concerted process to a bend fundamental and low frequency modes. The bend subsequently decays to another intermediate vibrational level, presumably the librational band, before this energy is distributed to low frequency modes and appears as heat as well in the sample volume in accordance with the results of Lindner et al. [L. Lindner, P. Vohringer, M.S. Pshenichnikov, D. Cringus, D.A. Wiersma, M. Mostovoy, Chem. Phys. Lett. 421 (2006) 329]. The lifetime of the bend-libration combination band is determined to be 140 ± 15 fs and the lifetime of the libration levels, leading to the hot ground state from the delayed heating route, is 840 ± 100 fs. This libration decay rate is consistent with the results of previous IR pump-probe measurement analyses for the appearance of heat following excitation resonant with the bend or stretch fundamentals. An additional pulse width limited absorption component is seen in all responses which may be attributed to the underlying continuum of intermolecular states in this region of the H 2O spectrum.

  20. Strain effect on graphene nanoribbon carrier statistic in the presence of non-parabolic band structure

    NASA Astrophysics Data System (ADS)

    Izuani Che Rosid, N. A.; Ahmadi, M. T.; Ismail, Razali

    2016-09-01

    The effect of tensile uniaxial strain on the non-parabolic electronic band structure of armchair graphene nanoribbon (AGNR) is investigated. In addition, the density of states and the carrier statistic based on the tight-binding Hamiltonian are modeled analytically. It is found that the property of AGNR in the non-parabolic band region is varied by the strain. The tunable energy band gap in AGNR upon strain at the minimum energy is described for each of n-AGNR families in the non-parabolic approximation. The behavior of AGNR in the presence of strain is attributed to the breakable AGNR electronic band structure, which varies the physical properties from its normality. The linear relation between the energy gap and the electrical properties is featured to further explain the characteristic of the deformed AGNR upon strain. Project supported by the Ministry of Higher Education (MOHE), Malaysia under the Fundamental Research Grant Scheme (FRGS) (Grant No.Q.J130000.7823.4F477). We also thank the Research Management Center (RMC) of Universiti Teknologi Malaysia (UTM) for providing an excellent research environment.

  1. Intermediate band solar cell with extreme broadband spectrum quantum efficiency.

    PubMed

    Datas, A; López, E; Ramiro, I; Antolín, E; Martí, A; Luque, A; Tamaki, R; Shoji, Y; Sogabe, T; Okada, Y

    2015-04-17

    We report, for the first time, about an intermediate band solar cell implemented with InAs/AlGaAs quantum dots whose photoresponse expands from 250 to ∼6000  nm. To our knowledge, this is the broadest quantum efficiency reported to date for a solar cell and demonstrates that the intermediate band solar cell is capable of producing photocurrent when illuminated with photons whose energy equals the energy of the lowest band gap. We show experimental evidence indicating that this result is in agreement with the theory of the intermediate band solar cell, according to which the generation recombination between the intermediate band and the valence band makes this photocurrent detectable.

  2. Evidence of a Shockley-Read-Hall Defect State Independent of Band-Edge Energy in InAs/In(As,Sb) Type-II Superlattices

    SciTech Connect

    Aytac, Y.; Olson, B. V.; Kim, J. K.; Shaner, E. A.; Hawkins, S. D.; Klem, J. F.; Flatté, M. E.; Boggess, T. F.

    2016-06-01

    A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entire set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.

  3. Identical gamma-vibrational bands in {sup 165}Ho

    SciTech Connect

    Radford, D.C.; Galindo-Uribarri, A.; Janzen, V.P.

    1996-12-31

    The structure of {sup 165}Ho at moderate spins has been investigated by means of Coulomb excitation. Two {gamma}-vibrational bands (K{sup {pi}} = 11/2{sup {minus}} and K{sup {pi}} = 3/2{sup {minus}}) are observed, with very nearly identical in-band {gamma}-ray energies. Gamma-ray branching ratios are analyzed to extract information on Coriolis mixing, and the role of the K quantum number in identical bands is discussed.

  4. Internal-strain effect on the valence band of strained silicon and its correlation with the bond angles

    SciTech Connect

    Inaoka, Takeshi Yanagisawa, Susumu; Kadekawa, Yukihiro

    2014-02-14

    By means of the first-principles density-functional theory, we investigate the effect of relative atom displacement in the crystal unit cell, namely, internal strain on the valence-band dispersion of strained silicon, and find close correlation of this effect with variation in the specific bond angles due to internal strain. We consider the [111] ([110]) band dispersion for (111) ((110)) biaxial tensility and [111] ([110]) uniaxial compression, because remarkably small values of hole effective mass m* can be obtained in this dispersion. Under the practical condition of no normal stress, biaxial tensility (uniaxial compression) involves additional normal compression (tensility) and internal strain. With an increase in the internal-strain parameter, the energy separation between the highest and second-highest valence bands becomes strikingly larger, and the highest band with conspicuously small m* extends remarkably down to a lower energy region, until it intersects or becomes admixed with the second band. This is closely correlated with the change in the specific bond angles, and this change can reasonably explain the above enlargement of the band separation.

  5. First-principle natural band alignment of GaN / dilute-As GaNAs alloy

    SciTech Connect

    Tan, Chee-Keong Tansu, Nelson

    2015-01-15

    Density functional theory (DFT) calculations with the local density approximation (LDA) functional are employed to investigate the band alignment of dilute-As GaNAs alloys with respect to the GaN alloy. Conduction and valence band positions of dilute-As GaNAs alloy with respect to the GaN alloy on an absolute energy scale are determined from the combination of bulk and surface DFT calculations. The resulting GaN / GaNAs conduction to valence band offset ratio is found as approximately 5:95. Our theoretical finding is in good agreement with experimental observation, indicating the upward movements of valence band at low-As content dilute-As GaNAs are mainly responsible for the drastic reduction of the GaN energy band gap. In addition, type-I band alignment of GaN / GaNAs is suggested as a reasonable approach for future device implementation with dilute-As GaNAs quantum well, and possible type-II quantum well active region can be formed by using InGaN / dilute-As GaNAs heterostructure.

  6. 10 CFR 781.53 - Additional licenses.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Additional licenses. 781.53 Section 781.53 Energy DEPARTMENT OF ENERGY DOE PATENT LICENSING REGULATIONS Types of Licenses and Conditions for Licensing § 781.53... of Energy from granting additional nonexclusive, or exclusive, or partially exclusive licenses...

  7. 10 CFR 781.53 - Additional licenses.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false Additional licenses. 781.53 Section 781.53 Energy DEPARTMENT OF ENERGY DOE PATENT LICENSING REGULATIONS Types of Licenses and Conditions for Licensing § 781.53... of Energy from granting additional nonexclusive, or exclusive, or partially exclusive licenses...

  8. Band to band tunneling in III-V semiconductors: Implications of complex band structure, strain, orientation, and off-zone center contribution

    SciTech Connect

    Majumdar, Kausik

    2014-05-07

    In this paper, we use a tight binding Hamiltonian with spin orbit coupling to study the real and complex band structures of relaxed and strained GaAs. A simple d orbital on-site energy shift coupled with appropriate scaling of the off-diagonal terms is found to correctly reproduce the band-edge shifts with strain. Four different 〈100〉 strain combinations, namely, uniaxial compressive, uniaxial tensile, biaxial compressive, and biaxial tensile strain are studied, revealing rich valence band structure and strong relative orientation dependent tunneling. It is found that complex bands are unable to provide unambiguous tunneling paths away from the Brillouin zone center. Tunneling current density distribution over the Brillouin zone is computed using non-equilibrium Green's function approach elucidating a physical picture of band to band tunneling.

  9. Photonic band gap structure simulator

    DOEpatents

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  10. Band structures of121,123I

    NASA Astrophysics Data System (ADS)

    Goswami, R.; Sethi, B.; Sarkar, M. S.; Sen, S.

    1995-12-01

    The band structures of121, 123I nuclei have been studied using a version of the particle-rotor-model in which the experimental excitation energies of the neighbouring (A-1) cores can be fed directly as input parameters. The calculations have been carried out with axially symmetric Nilsson potential with both prolate and oblate deformations. The parameters of the model have been chosen from earlier theoretical work and experimental odd-even mass differences. Only the Coriolis attenuation factor has been treated as adjustable parameter. The theoretical band structures are in very good agreement with the available experimental data.

  11. UNIDENTIFIED INFRARED EMISSION BANDS: PAHs or MAONs?

    SciTech Connect

    Sun Kwok; Yong Zhang

    2013-07-01

    We suggest that the carrier of the unidentified infrared emission (UIE) bands is an amorphous carbonaceous solid with mixed aromatic/aliphatic structures, rather than free-flying polycyclic aromatic hydrocarbon molecules. Through spectral fittings of the astronomical spectra of the UIE bands, we show that a significant amount of the energy is emitted by the aliphatic component, implying that aliphatic groups are an essential part of the chemical structure. Arguments in favor of an amorphous, solid-state structure rather than a gas-phase molecule as a carrier of the UIE are also presented.

  12. Photon ratchet intermediate band solar cells

    NASA Astrophysics Data System (ADS)

    Yoshida, M.; Ekins-Daukes, N. J.; Farrell, D. J.; Phillips, C. C.

    2012-06-01

    In this paper, we propose an innovative concept for solar power conversion—the "photon ratchet" intermediate band solar cell (IBSC)—which may increase the photovoltaic energy conversion efficiency of IBSCs by increasing the lifetime of charge carriers in the intermediate state. The limiting efficiency calculation for this concept shows that the efficiency can be increased by introducing a fast thermal transition of carriers into a non-emissive state. At 1 sun, the introduction of a "ratchet band" results in an increase of efficiency from 46.8% to 48.5%, due to suppression of entropy generation.

  13. Orff Techniques to Freshen Up Band Rehearsal

    ERIC Educational Resources Information Center

    Misenhelter, Dale

    2004-01-01

    Experienced band directors know they need teaching strategies and activities that are not only innovative but also provide creative and engaging breaks in the routine for students. In addition, expectations based on the National Standards suggest new approaches to many of the performance-polishing strategies directors have come to rely on.…

  14. Banded electromagnetic stator core

    DOEpatents

    Fanning, Alan W.; Gonzales, Aaron A.; Patel, Mahadeo R.; Olich, Eugene E.

    1996-01-01

    A stator core for an electromagnetic pump includes a plurality of circumferentially adjoining groups of flat laminations disposed about a common centerline axis and collectively defining a central bore and a discontinuous outer perimeter, with adjacent groups diverging radially outwardly to form V-shaped gaps. An annular band surrounds the groups and is predeterminedly tensioned to clamp together the laminations, and has a predetermined flexibility in a radial direction to form substantially straight bridge sections between the adjacent groups.

  15. Banded electromagnetic stator core

    DOEpatents

    Fanning, A.W.; Gonzales, A.A.; Patel, M.R.; Olich, E.E.

    1994-04-05

    A stator core for an electromagnetic pump includes a plurality of circumferentially adjoining groups of flat laminations disposed about a common centerline axis and collectively defining a central bore and a discontinuous outer perimeter, with adjacent groups diverging radially outwardly to form V-shaped gaps. An annular band surrounds the groups and is predeterminedly tensioned to clamp together the laminations, and has a predetermined flexibility in a radial direction to form substantially straight bridge sections between the adjacent groups. 5 figures.

  16. Banded electromagnetic stator core

    DOEpatents

    Fanning, Alan W.; Gonzales, Aaron A.; Patel, Mahadeo R.; Olich, Eugene E.

    1994-01-01

    A stator core for an electromagnetic pump includes a plurality of circumferentially adjoining groups of flat laminations disposed about a common centerline axis and collectively defining a central bore and a discontinuous outer perimeter, with adjacent groups diverging radially outwardly to form V-shaped gaps. An annular band surrounds the groups and is predeterminedly tensioned to clamp together the laminations, and has a predetermined flexibility in a radial direction to form substantially straight bridge sections between the adjacent groups.

  17. Banded electromagnetic stator core

    DOEpatents

    Fanning, A.W.; Gonzales, A.A.; Patel, M.R.; Olich, E.E.

    1996-06-11

    A stator core for an electromagnetic pump includes a plurality of circumferentially adjoining groups of flat laminations disposed about a common centerline axis and collectively defining a central bore and a discontinuous outer perimeter, with adjacent groups diverging radially outwardly to form V-shaped gaps. An annular band surrounds the groups and is predeterminedly tensioned to clamp together the laminations, and has a predetermined flexibility in a radial direction to form substantially straight bridge sections between the adjacent groups. 5 figs.

  18. Wideband S Band Transmitter

    DTIC Science & Technology

    1989-10-01

    the phase variations across a +/-I nanosecond compressed pulse . During experimentation in the RADC Module Evaluation Lab the paired echos could be...22 4-11. Pulsing Interlock ....................................... 23 4-12. Pulse Fault Detector and Fault Summary...band transmitter was built by RCA Corporation under contract F30602-78-C-0122, titled "Wideband Amplifier, P/O Digitally Coded Radar’. After use by

  19. Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

    DOE PAGES

    Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; ...

    2015-11-24

    Complex doping schemes in R3Al5O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-bandmore » maximum (VBM). We consider two sets of compositions based on Lu3B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5O12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

  20. Micromechanics of shear banding

    SciTech Connect

    Gilman, J.J.

    1992-08-01

    Shear-banding is one of many instabilities observed during the plastic flow of solids. It is a consequence of the dislocation mechanism which makes plastic flow fundamentally inhomogeneous, and is exacerbated by local adiabatic heating. Dislocation lines tend to be clustered on sets of neighboring glide planes because they are heterogeneously generated; especially through the Koehler multiple-cross-glide mechanism. Factors that influence their mobilities also play a role. Strain-hardening decreases the mobilities within shear bands thereby tending to spread (delocalize) them. Strain-softening has the inverse effect. This paper reviews the micro-mechanisms of these phenomena. It will be shown that heat production is also a consequence of the heterogeneous nature of the microscopic flow, and that dislocation dipoles play an important role. They are often not directly observable, but their presence may be inferred from changes in thermal conductivity. It is argued that after deformation at low temperatures dipoles are distributed a la Pareto so there are many more small than large ones. Instability at upper yield point, the shapes of shear-band fronts, and mechanism of heat generation are also considered. It is shown that strain-rate acceleration plays a more important role than strain-rate itself in adiabatic instability.