WorldWideScience

Sample records for total excitation energy

  1. Total cross section of highly excited strings

    International Nuclear Information System (INIS)

    Lizzi, F.; Senda, I.

    1990-01-01

    The unpolarized total cross section for the joining of two highly excited strings is calculated. The calculation is performed by taking the average overall states in the given excitation levels of the initial strings. We find that the total cross section grows with the energy and momentum of the initial states. (author). 8 refs, 1 fig

  2. On isospin excitation energy

    International Nuclear Information System (INIS)

    Li Wenfei; Zhang Fengshou; Chen Liewen

    2001-01-01

    Within the framework of Hartree-Fock theory using the extended Skyrme effective interaction, the isospin excitation energy as a function of relative neutron excess δ was investigated at different temperatures and densities. It was found that the isospin excitation energy decreased with the increment of temperature and/or the decrement of density. The authors pointed out that the decrement of isospin excitation energy was resulted from the weakening of quantum effect with increment of temperature and/or decrement of density. Meanwhile, the relationship between the isospin excitation energy and the symmetry energy was discussed and found that the symmetry energy was just a part of the isospin excitation energy. With increasing temperature and decreasing density, the contribution of the symmetry energy to the isospin excitation energy becomes more and more important. The isospin excitation energy as a function of relative neutron excess was also investigated using different potential parameters. The results shows that the isospin excitation energy is almost independent of the incompressibility and the effective mass, but strongly depends on the symmetry energy strength coefficient, which indicates that it is possible to extract the symmetry energy of the nuclear equation of state by investigating the isospin excitation energy in experiments

  3. High energy nuclear excitations

    International Nuclear Information System (INIS)

    Gogny, D.; Decharge, J.

    1983-09-01

    The main purpose of this talk is to see whether a simple description of the nuclear excitations permits one to characterize some of the high energy structures recently observed. The discussion is based on the linear response to different external fields calculated using the Random Phase Approximation. For those structure in heavy ion collisions at excitation energies above 50 MeV which cannot be explained with such a simple approach, we discuss a possible mechanism for this heavy ion scattering

  4. Hardness and excitation energy

    Indian Academy of Sciences (India)

    It is shown that the first excitation energy can be given by the Kohn-Sham hardness (i.e. the energy difference of the ground-state lowest unoccupied and highest occupied levels) plus an extra term coming from the partial derivative of the ensemble exchange-correlation energy with respect to the weighting factor in the ...

  5. High energy magnetic excitations

    International Nuclear Information System (INIS)

    Endoh, Yasuo

    1988-01-01

    The report emphasizes that the current development in condensed matter physics opens a research field fit to inelastic neutron scattering experiments in the eV range which is easilly accessed by spallation neutron sources. Several important subjects adopted at thermal reactors are shown. It is desired to extend the implementation of the spectroscopic experiments for investigation of higher energy magnetic excitations. For La 2 CuO 4 , which is the mother crystal of the first high Tc materials found by Bednortz and Muller, it seems to be believed that the magnetism is well characterized by the two-dimensional Heisenberg antiferromagnetic Hamiltonian, and it is widely accepted that the magnetism is a most probable progenitor of high Tc superconductors. The unusual properties of spin correlations in this crystal have been studied extensively by standard neutron scattering techniques with steady neutrons at BNL. FeSi is not ordered magnetically but shows a very unique feature of temperature induced magnetism, which also has been studied extensively by using the thermal neutron scattering technique at BNL. In these experiments, polarized neutrons are indispensable to extract the clean magnetic components out of other components of non-magnetic scattering. (N.K.)

  6. Mean excitation energies for molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Phillip W.K.; Sauer, Stephan P.A. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Oddershede, Jens [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States); Sabin, John R., E-mail: sabin@qtp.ufl.edu [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States)

    2017-03-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

  7. Mean excitation energies for molecular ions

    DEFF Research Database (Denmark)

    Jensen, Phillip W.K.; Sauer, Stephan P.A.; Oddershede, Jens

    2017-01-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase...

  8. Excitation methods for energy dispersive analysis

    International Nuclear Information System (INIS)

    Jaklevic, J.M.

    1976-01-01

    The rapid development in recent years of energy dispersive x-ray fluorescence analysis has been based primarily on improvements in semiconductor detector x-ray spectrometers. However, the whole analysis system performance is critically dependent on the availability of optimum methods of excitation for the characteristic x rays in specimens. A number of analysis facilities based on various methods of excitation have been developed over the past few years. A discussion is given of the features of various excitation methods including charged particles, monochromatic photons, and broad-energy band photons. The effects of the excitation method on background and sensitivity are discussed from both theoretical and experimental viewpoints. Recent developments such as pulsed excitation and polarized photons are also discussed

  9. High energy excitations in itinerant ferromagnets

    International Nuclear Information System (INIS)

    Prange, R.E.

    1984-01-01

    Itinerant magnets, those whose electrons move throughout the crystal, are described by band theory. Single particle excitations offer confirmation of band theory, but their description requires important corrections. The energetics of magnetism in iron and nickel is also described in band theory but requires complex bands. Magnetism above the critical temperature and the location of the critical temperature offer discriminants between the two major models of magnetism at high temperature and can be addressed by high energy excitations

  10. The Mean Excitation Energy of Atomic Ions

    DEFF Research Database (Denmark)

    Sauer, Stephan; Oddershede, Jens; Sabin, John R.

    2015-01-01

    A method for calculation of the mean excitation energies of atomic ions is presented, making the calculation of the energy deposition of fast ions to plasmas, warm, dense matter, and complex biological systems possible. Results are reported to all ions of helium, lithium, carbon, neon, aluminum...

  11. Excitations of surface plasmon polaritons by attenuated total reflection, revisited

    International Nuclear Information System (INIS)

    Barchesi, D.; Otto, A.

    2013-01-01

    Many textbooks and review papers are devoted to plasmonics based on a selection of the numerous bibliography. But none describes the details of the first culmination of plasmonics in 1968, when surface plasmons become a field of optics. The coupling of light with the surface plasmon leads to the surface plasmon polariton (SPP). Therefore, the authors chose to associate historical insight (not avoiding a personal touch), a modern mathematical formulation of the excitation of the SPP by attenuated total reflection (ATR), considered as well understood since decades, and experimental applications since 1969, including recent developments.

  12. Hot nuclei, limiting temperatures and excitation energies

    International Nuclear Information System (INIS)

    Peter, J.

    1986-09-01

    Hot fusion nuclei are produced in heavy ion collisions at intermediate energies (20-100 MeV/U). Information on the maximum excitation energy per nucleon -and temperatures- indicated by the experimental data is compared to the predictions of static and dynamical calculations. Temperatures around 5-6 MeV are reached and seem to be the limit of formation of thermally equilibrated fusion nuclei

  13. Institutional total energy case studies

    Energy Technology Data Exchange (ETDEWEB)

    Wulfinghoff, D.

    1979-07-01

    Profiles of three total energy systems in institutional settings are provided in this report. The plants are those of Franciscan Hospital, a 384-bed facility in Rock Island, Illinois; Franklin Foundation Hospital, a 100-bed hospital in Franklin, Louisiana; and the North American Air Defense Command Cheyenne Mountain Complex, a military installation near Colorado Springs, Colorado. The case studies include descriptions of plant components and configurations, operation and maintenance procedures, reliability, relationships to public utilities, staffing, economic efficiency, and factors contributing to success.

  14. Excitation-energy influence at the scission configuration

    Directory of Open Access Journals (Sweden)

    Ramos D.

    2017-01-01

    Full Text Available Transfer- and fusion-induced fission in inverse kinematics was proven to be a powerful tool to investigate nuclear fission, widening the information of the fission fragments and the access to unstable fissioning systems with respect to other experimental approaches. An experimental campaign for fission investigation has being carried out at GANIL with this technique since 2008. In these experiments, a beam of 238U, accelerated to 6.1 MeV/u, impinges on a 12C target. Fissioning systems from U to Cf are populated through transfer and fusion reactions, with excitation energies that range from few MeV up to 46 MeV. The use of inverse kinematics, the SPIDER telescope, and the VAMOS spectrometer permitted the characterization of the fissioning system in terms of mass, nuclear charge, and excitation energy, and the isotopic identification of the full fragment distribution. The neutron excess, the total neutron multiplicity, and the even-odd staggering in the nuclear charge of fission fragments are presented as a function of the excitation energy of the fissioning system. Structure effects are observed at Z∼50 and Z∼55, where their impact evolves with the excitation energy.

  15. On the unexpected oscillation of the total cross section for excitation in He2+ + H collisions

    International Nuclear Information System (INIS)

    Schultz, D.R.; Reinhold, C.O.; Krstic, P.S.

    1996-01-01

    Recent calculations and measurements have revealed unexpected oscillations of the total cross section for excitation in low- to intermediate-energy He 2+ + H collisions. A physical explanation of this behavior is given here stemming from analysis of classical trajectory Monte Carlo simulations, molecular orbital close coupling calculations, and solution of the time-dependent Schroedinger equation on a numerical lattice. These results indicate that the observed behavior should be characteristic of a wide range of reactions in ion-atom collisions

  16. Integrated light in direct excitation and energy transfer luminescence

    OpenAIRE

    Chimczak, Eugeniusz

    2007-01-01

    Integrated light in direct excitation and energy transfer luminescence has been investigated. In the investigations reported here, monomolecular centers were taken into account. It was found that the integrated light is equal to the product of generation rate and time of duration of excitation pulse for both direct excitation and energy transfer luminescence.

  17. Low energy spin excitations in chromium metal

    International Nuclear Information System (INIS)

    Pynn, R.; Azuah, R.T.; Stirling, W.G.

    1997-01-01

    Neutron scattering experiments with full polarization analysis have been performed with a single crystal of chromium to study the low-energy spin fluctuations in the transverse spin density wave (TSDW) state. A number of remarkable results have been found. Inelastic scattering observed close to the TSDW satellite positions at (1 ± δ,0,0) does not behave as expected for magnon scattering. In particular, the scattering corresponds to almost equally strong magnetization fluctuations both parallel and perpendicular to the ordered moments of the TSDW phase. As the Neel temperature is approached from below, scattering at the commensurate wavevector (1,0,0) increases in intensity as a result of critical scattering at silent satellites (1,0, ± δ) being included within the spectrometer resolution function. This effect, first observed by Sternlieb et al, does not account for all of the inelastic scattering around the (1,0,0) position, however, Rather, there are further collective excitations, apparently emanating from the TSDW satellites, which correspond to magnetic fluctuations parallel to the ordered TSDW moments. These branches have a group velocity that is close to that of (1,0,0) longitudinal acoustic (LA) phonons, but assigning their origin to magneto-elastic scattering raises other unanswered questions

  18. The total energy policy in Flanders

    International Nuclear Information System (INIS)

    Bouma, J.W.J.

    1994-01-01

    The policy of the Flemish region (Belgium) with regard to the total energy principle are presented. An overview of the main policy instruments to support energy saving and environmental-friendly investments as well as the development of new technologies is given. The total energy policy of the Flanders Region forms part of the general Flemish (energy) policy. (A.S.)

  19. Total energy system in the future

    International Nuclear Information System (INIS)

    Hijikata, K.

    1994-01-01

    The possibility of improving the thermal efficiency of energy systems from an exergy point of view is discussed. In total energy systems, we should employ multi-pass recycling consisting of thermal and chemical energies. The recycling system is supported by electrical energy, which is provided by a renewable energy source or by excess commercial electric power. This total energy system should be considered not only in one country, but all around the globe. (author). 6 figs., 4 tabs., 8 refs

  20. Electron emission from materials at low excitation energies

    International Nuclear Information System (INIS)

    Urma, N.; Kijek, M.; Millar, J.J.

    1996-01-01

    Full text: An experimental system has been designed and developed with the purpose of measuring the total electron emission yield from materials at low energy excitation. In the first instance the reliability of the system was checked by measuring the total electron emission yield for a well defined surface (aluminium 99.45%). The obtained data was in the expected range given by the literature, and consequently the system will be used further for measuring the total electron yield for a range of materials with interest in the instrumentation industry. We intend to measure the total electron emission yield under electron bombardment as a function of incident electron energy up to 1200 eV, angle of incidence, state of the surface and environment to which the surface has been exposed. Dependence of emission on total electron irradiated dose is also of interest. For many practical application of the 'Secondary Electron Emission', the total electron yield is desired to be as large as possible. The above phenomenon has practical applicability in electron multiplier tube and Scanning electron microscopy - when by means of the variation of the yield of the emitted electrons one may produce visible images of small sample areas. The electron multiplier tube, is a device which utilises the above effect to detect and amplify both single particles and low currents streams of charged particles. The majority of electron tubes use electrons with low energy, hundreds of eV. Not a lot has been published in the literature about this regime and also about the emission when the impinging electrons have small energy, up to 1 KeV. The information obtained from the experimental measurements concerning the total electron emission yield is used to asses the investigated materials as a potential electron emitting surfaces or dynodes in an electron multiplier tube

  1. Electronic-excitation energy transfer in heterogeneous dye solutions under laser excitation

    International Nuclear Information System (INIS)

    Levshin, L.V.; Mukushev, B.T.; Saletskii, A.M.

    1995-01-01

    An experimental study has been made of electronic-excitation energy transfer (EEET) among dye molecules of different types for different exciting-fight wavelengths and temperatures. Upon selective laser excitation of the donor, the inhomogeneous broadening of molecular levels increases the probability of EEET from the donor to acceptor molecules. The efficiency of this process is directly proportional to the acceptor molecule concentration and is temperature dependent. The EEET is accompanied by the spectral migration of energy among donor molecules, which reduces the fluorescence quantum efficiency of the donor. Increasing the frequency of the exciting light decreases in the donor fluorescence quantum efficiency. An increase in the acceptor molecule concentration results in a decrease of the spectral migration of excitation in the donor molecule system. 5 refs., 5 figs

  2. Review of high excitation energy structures in heavy ion collisions: target excitations and three body processes

    International Nuclear Information System (INIS)

    Frascaria, N.

    1987-09-01

    A review of experimental results on high excitation energy structures in heavy ion inelastic scattering is presented. The contribution to the spectra of the pick-up break-up mechanism is discussed in the light of the data obtained with light heavy ion projectiles. Recent results obtained with 40 Ar beams at various energies will show that target excitations contribute strongly to the measured cross section

  3. Energy dependence of the ionization of highly excited atoms by collisions with excited atoms

    International Nuclear Information System (INIS)

    Shirai, T.; Nakai, Y.; Nakamura, H.

    1979-01-01

    Approximate analytical expressions are derived for the ionization cross sections in the high- and low-collision-energy limits using the improved impulse approximation based on the assumption that the electron-atom inelastic-scattering amplitude is a function only of the momentum transfer. Both cases of simultaneous excitation and de-excitation of one of the atoms are discussed. The formulas are applied to the collisions between two excited hydrogen atoms and are found very useful for estimating the cross sections in the wide range of collisions energies

  4. Coulomb excitation of 206Hg at relativistic energies

    Science.gov (United States)

    Alexander, Tom

    The region of the nuclear chart surrounding the doubly-magic nucleus 208Pb provides a key area to constrain and develop contemporary nuclear structure models. One aspect of particular interest is the transition strength of the first excited 2+ state in even-even nuclei; this work describes the measurement of this value for the case of 206Hg, where the Z=80 line meets the N=126 shell closure. The nuclei of interest were synthesized using relativistic-energy projectile fragmentation at the GSI facility in Germany. They were produced in the fragmentation of a primary 208Pb beam at an energy of 1 GeV per nucleon, and separated and identifed using the Fragment Separator. The secondary beams with an energy of 140 MeV per nucleon were Coulomb excited on a secondary target of 400 mg/cm. 2 gold. Gamma-rays were detected with the Advanced GAmma Tracking Array (AGATA). The precise scattering angle for Doppler-correction was determined with position information from the Lund-York-Cologne-CAlorimeter(LYCCA). Using the sophisticated tracking algorithm native to AGATA in conjunction with pulse-shape analysis, a precise Doppler-correction is performed on the gamma spectra, and using a complex n-dimensional analysis, the B(E2) value for 206Hg is extracted relative to the known value also measured in 206Pb. A total of 409 million 206Hg particles were measured, and a cross-section of 50 mb was determined for the 2+ state at 1068 keV. The measurement of the B(E2) transition strength was found to be 1.109 W.u. This result is compared to a number of theoretical calculations, including two Gogny forces, and a modified shell model parametrization and is found to be smaller than all calculated estimations, implying that the first excited 2. + state in . {206}Hg is uncollective in nature.

  5. Study of excitation energy dependence of nuclear level density parameter

    International Nuclear Information System (INIS)

    Mohanto, G.; Nayak, B.K.; Saxena, A.

    2016-01-01

    In the present study, we have populated CN by fusion reaction and excitation energy of the intermediate nuclei is determined after first chance α-emission to investigate excitation energy dependence of the NLD parameter. Evaporated neutron spectra were measured following alpha evaporation for obtaining NLD parameter for the reaction 11 B + 197 Au, populating CN 208 Po. This CN after evaporating an α-particle populates intermediate nucleus 204 Pb. The 204 Pb has magic number of Z=82. Our aim is to study the excitation energy dependence of NLD parameter for closed shell nuclei

  6. On the determination of the mean excitation energy of water

    DEFF Research Database (Denmark)

    Sabin, John R.; Oddershede, Jens; Sauer, Stephan P. A.

    2013-01-01

    Water is a ubiquitous substance in nature, and thus the mean excitation energy of water is an important quantity for understanding and prediction of the details of many fast ion/molecule collision processes such as those involved in external beam radiotherapy of tumors. There are several methods...... for determining numerical values for a mean excitation energy for water, both theoretical and experimental. Here the factors affecting the determination of the value of the mean excitation energy of water, especially from experiment, are discussed....

  7. Dependence of the giant dipole strength function on excitation energy

    International Nuclear Information System (INIS)

    Draper, J.E.; Newton, J.O.; Sobotka, L.G.; Lindenberger, H.; Wozniak, G.J.; Moretto, L.G.; Stephens, F.S.; Diamond, R.M.; McDonald, R.J.

    1982-01-01

    Spectra of γ rays associated with deep-inelastic products from the 1150-MeV 136 Xe+ 181 Ta reaction have been measured. The yield of 10--20-MeV γ rays initially increases rapidly with the excitation energy of the products and then more slowly for excitation energies in excess of 120 MeV. Statistical-model calculations with ground-state values of the giant dipole strength function fail to reproduce the shape of the measured γ-ray spectra. This suggests a dependence of the giant dipole strength function on excitation energy

  8. Roles of the Excitation in Harvesting Energy from Vibrations.

    Directory of Open Access Journals (Sweden)

    Hui Zhang

    Full Text Available The study investigated the role of excitation in energy harvesting applications. While the energy ultimately comes from the excitation, it was shown that the excitation may not always behave as a source. When the device characteristics do not perfectly match the excitation, the excitation alternately behaves as a source and a sink. The extent to which the excitation behaves as a sink determines the energy harvesting efficiency. Such contradictory roles were shown to be dictated by a generalized phase defined as the instantaneous phase angle between the velocity of the device and the excitation. An inductive prototype device with a diamagnetically levitated seismic mass was proposed to take advantage of the well established phase changing mechanism of vibro-impact to achieve a broader device bandwidth. Results suggest that the vibro-impact can generate an instantaneous, significant phase shift in response velocity that switches the role of the excitation. If introduced properly outside the resonance zone it could dramatically increase the energy harvesting efficiency.

  9. Spectroscopic probes of vibrationally excited molecules at chemically significant energies

    Energy Technology Data Exchange (ETDEWEB)

    Rizzo, T.R. [Univ. of Rochester, NY (United States)

    1993-12-01

    This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

  10. Design and development of a parametrically excited nonlinear energy harvester

    International Nuclear Information System (INIS)

    Yildirim, Tanju; Ghayesh, Mergen H.; Li, Weihua; Alici, Gursel

    2016-01-01

    Highlights: • A parametrically broadband energy harvester was fabricated. • Strong softening-type nonlinear behaviour was observed. • Experiments were conducted showing the large bandwidth of the device. - Abstract: An energy harvester has been designed, fabricated and tested based on the nonlinear dynamical response of a parametrically excited clamped-clamped beam with a central point-mass; magnets have been used as the central point-mass which pass through a coil when parametrically excited. Experiments have been conducted for the energy harvester when the system is excited (i) harmonically near the primary resonance; (ii) harmonically near the principal parametric resonance; (iii) by means of a non-smooth periodic excitation. An electrodynamic shaker was used to parametrically excite the system and the corresponding displacement of the magnet and output voltages of the coil were measured. It has been shown that the system displays linear behaviour at the primary resonance; however, at the principal parametric resonance, the motion characteristic of the magnet substantially changed displaying a strong softening-type nonlinearity. Theoretical simulations have also been conducted in order to verify the experimental results; the comparison between theory and experiment were within very good agreement of each other. The energy harvester developed in this paper is capable of harvesting energy close to the primary resonance as well as the principal parametric resonance; the frequency-band has been broadened significantly mainly due to the nonlinear effects as well as the parametric excitation.

  11. Excitation and photon decay of giant resonances excited by intermediate energy heavy ions

    International Nuclear Information System (INIS)

    Bertrand, F.E.; Beene, J.R.

    1987-01-01

    Inelastic scattering of medium energy heavy ions provides very large cross sections and peak-to-continuum ratios for excitation of giant resonances. For energies above about 50 MeV/nucleon, giant resonances are excited primarily through Coulomb excitation, which is indifferent to isospin, thus providing a good probe for the study of isovector giant resonances. The extremely large cross sections available from heavy ion excitation permit the study of rare decay modes of the giant resonances. In particular, recent measurements have been made of the photon decay of giant resonances following excitation by 22 and 84 MeV/nucleon 17 O projectiles. The singles results at 84 MeV/nucleon yield peak cross sections for the isoscalar giant quadrupole resonance and the isovector giant dipole resonance of approximately 0.8 and 3 barns/sr, respectively. Data on the ground state decay of the isoscalar giant quadrupole and isovector giant dipole resonances are presented and compared with calculations. Decays to low-lying excited states are also discussed. Preliminary results from an experiment to isolate the 208 Pb isovector quadrupole resonance using its gamma decay are presented. 22 refs., 19 figs., 1 tab

  12. Vibrational excitation of D2 by low energy electrons

    International Nuclear Information System (INIS)

    Buckman, S.J.; Phelps, A.V.

    1985-01-01

    Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

  13. A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

    Energy Technology Data Exchange (ETDEWEB)

    Egidi, Franco, E-mail: franco.egidi@sns.it; Segado, Mireia; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it [Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa (Italy); Koch, Henrik [Department of Chemistry, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Cappelli, Chiara [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via G. Moruzzi, 3 I-56124 Pisa (Italy)

    2014-12-14

    In this work, we report a comparative study of computed excitation energies, oscillator strengths, and excited-state energy gradients of (S)-nicotine, chosen as a test case, using multireference methods, coupled cluster singles and doubles, and methods based on time-dependent density functional theory. This system was chosen because its apparent simplicity hides a complex electronic structure, as several different types of valence excitations are possible, including n-π{sup *}, π-π{sup *}, and charge-transfer states, and in order to simulate its spectrum it is necessary to describe all of them consistently well by the chosen method.

  14. Energy-optimal electrical excitation of nerve fibers.

    Science.gov (United States)

    Jezernik, Saso; Morari, Manfred

    2005-04-01

    We derive, based on an analytical nerve membrane model and optimal control theory of dynamical systems, an energy-optimal stimulation current waveform for electrical excitation of nerve fibers. Optimal stimulation waveforms for nonleaky and leaky membranes are calculated. The case with a leaky membrane is a realistic case. Finally, we compare the waveforms and energies necessary for excitation of a leaky membrane in the case where the stimulation waveform is a square-wave current pulse, and in the case of energy-optimal stimulation. The optimal stimulation waveform is an exponentially rising waveform and necessitates considerably less energy to excite the nerve than a square-wave pulse (especially true for larger pulse durations). The described theoretical results can lead to drastically increased battery lifetime and/or decreased energy transmission requirements for implanted biomedical systems.

  15. Energy harvesting from human motion: exploiting swing and shock excitations

    International Nuclear Information System (INIS)

    Ylli, K; Hoffmann, D; Willmann, A; Becker, P; Folkmer, B; Manoli, Y

    2015-01-01

    Modern compact and low power sensors and systems are leading towards increasingly integrated wearable systems. One key bottleneck of this technology is the power supply. The use of energy harvesting techniques offers a way of supplying sensor systems without the need for batteries and maintenance. In this work we present the development and characterization of two inductive energy harvesters which exploit different characteristics of the human gait. A multi-coil topology harvester is presented which uses the swing motion of the foot. The second device is a shock-type harvester which is excited into resonance upon heel strike. Both devices were modeled and designed with the key constraint of device height in mind, in order to facilitate the integration into the shoe sole. The devices were characterized under different motion speeds and with two test subjects on a treadmill. An average power output of up to 0.84 mW is achieved with the swing harvester. With a total device volume including the housing of 21 cm 3 a power density of 40 μW cm −3 results. The shock harvester generates an average power output of up to 4.13 mW. The power density amounts to 86 μW cm −3 for the total device volume of 48 cm 3 . Difficulties and potential improvements are discussed briefly. (paper)

  16. Energy-dependent collisional deactivation of vibrationally excited azulene

    International Nuclear Information System (INIS)

    Shi, J.; Barker, J.R.

    1988-01-01

    Collisional energy transfer parameters for highly vibrationally excited azulene have been deduced from new infrared fluorescence (IRF) emission lifetime data with an improved calibration relating IRF intensity to vibrational energy [J. Shi, D. Bernfeld, and J. R. Barker, J. Chem. Phys. 88, XXXX (1988), preceding paper]. In addition, data from previous experiments [M. J. Rossi, J. R. Pladziewicz, and J. R. Barker, J. Chem. Phys. 78, 6695 (1983)] have been reanalyzed based on the improved calibration. Inversion of the IRF decay curves produced plots of energy decay, which were analyzed to determine , the average energy transferred per collision. Master equation simulations reproduced both the original IRF decays and the deduced energy decays. A third (simple) method of determination agrees well with the other two. The results show to be nearly directly proportional to the vibrational energy of the excited azulene from ∼8000 to 33 000 cm -1 . At high energies, there are indications that the energy dependence may be slightly reduced

  17. A scalable piezoelectric impulse-excited energy harvester for human body excitation

    International Nuclear Information System (INIS)

    Pillatsch, P; Yeatman, E M; Holmes, A S

    2012-01-01

    Harvesting energy from low-frequency and non-harmonic excitations typical of human motion presents specific challenges. While resonant devices do have an advantage in environments where the excitation frequency is constant, and while they can make use of the entire proof mass travel range in the case of excitation amplitudes that are smaller than the internal displacement limit, they are not suitable for body applications since the frequencies are random and the amplitudes tend to be larger than the device size. In this paper a piezoelectric, impulse-excited approach is presented. A cylindrical proof mass actuates an array of piezoelectric bi-morph beams through magnetic attraction. After the initial excitation these transducers are left to vibrate at their natural frequency. This increases the operational frequency range as well as the electromechanical coupling. The principle of impulse excitation is discussed and a centimetre-scale functional model is introduced as a proof of concept. The obtained data show the influence of varying the frequency, acceleration and proof mass. Finally, a commercially available integrated circuit for voltage regulation is tested. At a frequency of 2 Hz and an acceleration of 2.7 m s −2 a maximal power output of 2.1 mW was achieved. (paper)

  18. High spin spectroscopy near the N=Z line: Channel selection and excitation energy systematics

    Energy Technology Data Exchange (ETDEWEB)

    Svensson, C.E.; Cameron, J.A.; Flibotte, S. [McMaster Univ., Ontario (Canada)] [and others

    1996-12-31

    The total {gamma}-ray and charged-particle energies emitted in fusion-evaporation reactions leading to N=Z compound systems in the A = 50-70 mass region have been measured with the 8{pi} {gamma}-ray spectrometer and the miniball charged-particle detector array. A new method of channel selection has been developed which combines particle identification with these total energy measurements and greatly improves upon the selectivity possible with particle detection alone. In addition, the event by event measurement of total {gamma}-ray energies using the BGO ball of the 8{pi} spectrometer has allowed a determination of excitation energies following particle evaporation for a large number of channels in several different reactions. The new channel selection procedure and excitation energy systematics are illustrated with data from the reaction of {sup 24}Mg on {sup 40}Ca at E{sub lab} = 80MeV.

  19. Realistic level densities in fragment emission at high excitation energies

    International Nuclear Information System (INIS)

    Mustafa, M.G.; Blann, M.; Ignatyuk, A.V.

    1993-01-01

    Heavy fragment emission from a 44 100 Ru compound nucleus at 400 and 800 MeV of excitation is analyzed to study the influence of level density models on final yields. An approach is used in which only quasibound shell-model levels are included in calculating level densities. We also test the traditional Fermi gas model for which there is no upper energy limit to the single particle levels. We compare the influence of these two level density models in evaporation calculations of primary fragment excitations, kinetic energies and yields, and on final product yields

  20. Comparative risk assessment of total energy systems

    International Nuclear Information System (INIS)

    Soerensen, B.

    1982-01-01

    The paper discusses a methodology for total impact assessment of energy systems, ideally evaluating all the impacts that a given energy system has on the society in which it is imbedded or into which its introduction is being considered. Impacts from the entire energy conversion chain ('fuel cycle' if the system is fuel-based), including energy storage, transport and transmission, as well as the institutions formed in order to manage the system, should be compared on the basis of the energy service provided. A number of impacts are considered, broadly classified as impacts on satisfaction of biological needs, on health, on environment, on social relations and on the structure of society. Further considerations include impacts related to cost and resilience, and, last but not least, impacts on global relations. The paper discusses a number of published energy studies in the light of the comparative impact assessment methodology outlined above. (author)

  1. Energies and lifetimes of excited states in copperlike Kr VIII

    International Nuclear Information System (INIS)

    Livingston, A.E.; Curtis, L.J.; Schectman, R.M.; Berry, H.G.

    1980-01-01

    The spectrum of Kr VIII has been observed between 180 and 2000 A by using foil excitation of 2.5--3.5-MeV krypton ions. Twenty new transitions have been classified and eleven new excited-state energies have been determined within the n=4 --7 shells. The ionization potential is derived to be 1 015 800 +- 200 cm -1 . The excited-state energies and fine structures are compared with recent relativistic Hartree-Fock calculations. The 4p-state lifetime has been measured by performing a simultaneous analysis of decay data for the 4p level and for its dominant cascade-repopulating levels. The 4p lifetime is found to be 30% shorter than previously measured values and is in excellent agreement with the result of a recent multiconfiguration Hartree-Fock calculation. The source of the discrepancy between this result and earlier measurements is discussed

  2. Comparison of conventional and total reflection excitation geometry for fluorescence X-ray absorption spectroscopy on droplet samples

    International Nuclear Information System (INIS)

    Falkenberg, G.; Pepponi, G.; Streli, C.; Wobrauschek, P.

    2003-01-01

    X-ray absorption fine structure (XAFS) experiments in fluorescence mode have been performed in total reflection excitation geometry and conventional 45 deg. /45 deg. excitation/detection geometry for comparison. The experimental results have shown that XAFS measurements are feasible under normal total reflection X-ray fluorescence (TXRF) conditions, i.e. on droplet samples, with excitation in grazing incidence and using a TXRF experimental chamber. The application of the total reflection excitation geometry for XAFS measurements increases the sensitivity compared to the conventional geometry leading to lower accessible concentration ranges. However, XAFS under total reflection excitation condition fails for highly concentrated samples because of the self-absorption effect

  3. Total energy calculations and bonding at interfaces

    International Nuclear Information System (INIS)

    Louie, S.G.

    1984-08-01

    Some of the concepts and theoretical techniques employed in recent ab initio studies of the electronic and structural properties of surfaces and interfaces are discussed. Results of total energy calculations for the 2 x 1 reconstructed diamond (111) surface and for stacking faults in Si are reviewed. 30 refs., 8 figs

  4. Complex fragment emission at low and high excitation energy

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1986-08-01

    Complex fragment emission has been certified as a compound nucleus process at low energies. An extension of the measurements to heavy ion reactions up to 50 MeV/u shows that most complex fragments are emitted by highly excited compound nuclei formed in incomplete fusion reactions. 12 refs., 26 figs

  5. El strength function at high spin and excitation energy

    International Nuclear Information System (INIS)

    Barrette, J.

    1983-04-01

    Recently giant dipole resonance-like concentration of the dipole strength function in nuclei was observed at both high excitation energies and high spins. This observation raises the possibility of obtaining new information on the shape of rapidly rotating heated nuclei. Recent experimental results on this subject are reviewed

  6. Atomic resonances above the total ionization energy

    International Nuclear Information System (INIS)

    Doolen, G.

    1975-01-01

    A rigorous result obtained using the theory associated with dilatation analytic potentials is that by performing a complex coordinate rotation, r/subj/ → r/subj/e/subi//sup theta/, on a Hamiltonian whose potential involves only pairwise Coulombic interactions, one can show that when theta = π/2, no complex eigenvalues (resonances) appear whose energies have a real part greater than the total ionization energy of the atomic system. This appears to conflict with experimental results of Walton, Peart, and Dolder, who find resonance behavior above the total ionization energy of the H -- system and also the theoretical stabilization results of Taylor and Thomas for the same system. A possible resolution of this apparent conflict is discussed and a calculation to check its validity is proposed

  7. Interqubit coupling mediated by a high-excitation-energy quantum object

    NARCIS (Netherlands)

    Ashhab, S.; Niskanen, A.O.; Harrabi, K.; Nakamura, Y.; Picot, T.; De Groot, P.C.; Harmans, C.J.P.M.; Mooij, J.E.; Nori, F.

    2008-01-01

    We consider a system composed of two qubits and a high excitation energy quantum object used to mediate coupling between the qubits. We treat the entire system quantum mechanically and analyze the properties of the eigenvalues and eigenstates of the total Hamiltonian. After reproducing well known

  8. Mott transition: Low-energy excitations and superconductivity

    International Nuclear Information System (INIS)

    Ioffe, L.B.; Larkin, A.I.

    1988-09-01

    It is possible that metal-dielectric transition does not result in changes of magnetic or crystallographic symmetry. In this case a fermionic spectrum is not changed at the transition, but additional low-energy excitations appear which can be described as a gauge field that has the same symmetry as an electromagnetic one. In the case of a non half-filled band gapless scalar Bose excitations also appear. Due to the presence of additional gauge field the physical conductivity is determined by the lowest conductivity of the Fermi or Bose subsystems. (author). 11 refs

  9. Neutron scattering investigation of magnetic excitations at high energy transfers

    International Nuclear Information System (INIS)

    Loong, C.K.

    1984-01-01

    With the advance of pulsed spallation neutron sources, neutron scattering investigation of elementary excitations in magnetic materials can now be extended to energies up to several hundreds of MeV. We have measured, using chopper spectrometers and time-of-flight techniques, the magnetic response functions of a series of d and f transition metals and compounds over a wide range of energy and momentum transfer. In PrO 2 , UO 2 , BaPrO 3 and CeB 6 we observed crystal-field transitions between the magnetic ground state and the excited levels in the energy range from 40 to 260 MeV. In materials exhibiting spin-fluctuation or mixed-valent character such as Ce 74 Th 26 , on the other hand, no sharp crystal-field lines but a broadened quasielastic magnetic peak was observed. The line width of the quasielastic component is thought to be connected to the spin-fluctuation energy of the 4f electrons. The significance of the neutron scattering results in relation to the ground state level structure of the magnetic ions and the spin-dynamics of the f electrons is discussed. Recently, in a study of the spin-wave excitations in itinerant magnetic systems, we have extended the spin-wave measurements in ferromagnetic iron up to about 160 MeV. Neutron scattering data at high energy transfers are of particular interest because they provide direct comparison with recent theories of itinerant magnetism. 26 references, 7 figures

  10. Vibrational energy transfer in selectively excited diatomic molecules

    International Nuclear Information System (INIS)

    Dasch, C.J.

    1978-09-01

    Single rovibrational states of HCl(v=2), HBr(v=2), DCl(v=2), and CO(v=2) were excited with a pulsed optical parametric oscillator (OPO). Total vibrational relaxation rates near - resonance quenchers were measured at 295 0 K using time resolved infrared fluorescence. These rates are attributed primarily to V - V energy transfer, and they generally conform to a simple energy gap law. A small deviation was found for the CO(v) + DCl(v') relaxation rates. Upper limits for the self relaxation by V - R,T of HCl(v=2) and HBr(v=2) and for the two quantum exchange between HCl and HBr were determined. The HF dimer was detected at 295 0 K and 30 torr HF pressure with an optoacoustic spectrometer using the OPO. Pulsed and chopped, resonant and non-resonant spectrophones are analyzed in detail. From experiments and first order perturbation theory, these V - V exchange rates appear to behave as a first order perturbation in the vibrational coordinates. The rotational dynamics are known to be complicated however, and the coupled rotational - vibrational dynamics were investigated theoreticaly in infinite order by the Dillon and Stephenson and the first Magnus approximations. Large ΔJ transitions appear to be important, but these calculations differ by orders of magnitude on specific rovibrational transition rates. Integration of the time dependent semiclassical equations by a modified Gordon method and a rotationally distorted wave approximation are discussed as methods which would treat the rotational motion more accurately. 225 references

  11. Ab initio calculation of electron excitation energies in solids

    International Nuclear Information System (INIS)

    Louie, S.G.

    1996-02-01

    Progress in the first-principles calculation of electron excitation energies in solids is discussed. Quasiparticle energies are computed by expanding the electron self energy to first order in the screened Coulomb interaction in the so-called GW approximation. The method was applied to explain and predict spectroscopic properties of a variety of systems. Several illustrative applications to semiconductors, materials under pressure, chemisorption, and point defects in solids are presented. A recent reformulation of the method employing mixed- space functions and imaginary time techniques is also discussed

  12. Rydberg energies using excited state density functional theory

    International Nuclear Information System (INIS)

    Cheng, C.-L.; Wu Qin; Van Voorhis, Troy

    2008-01-01

    We utilize excited state density functional theory (eDFT) to study Rydberg states in atoms. We show both analytically and numerically that semilocal functionals can give quite reasonable Rydberg energies from eDFT, even in cases where time dependent density functional theory (TDDFT) fails catastrophically. We trace these findings to the fact that in eDFT the Kohn-Sham potential for each state is computed using the appropriate excited state density. Unlike the ground state potential, which typically falls off exponentially, the sequence of excited state potentials has a component that falls off polynomially with distance, leading to a Rydberg-type series. We also address the rigorous basis of eDFT for these systems. Perdew and Levy have shown using the constrained search formalism that every stationary density corresponds, in principle, to an exact stationary state of the full many-body Hamiltonian. In the present context, this means that the excited state DFT solutions are rigorous as long as they deliver the minimum noninteracting kinetic energy for the given density. We use optimized effective potential techniques to show that, in some cases, the eDFT Rydberg solutions appear to deliver the minimum kinetic energy because the associated density is not pure state v-representable. We thus find that eDFT plays a complementary role to constrained DFT: The former works only if the excited state density is not the ground state of some potential while the latter applies only when the density is a ground state density.

  13. Experimental determination of fragment excitation energies in multifragmentation events

    International Nuclear Information System (INIS)

    Marie, N.; Natowitz, J.B.; Assenard, M.; Bacri, Ch.O.

    1998-01-01

    For 50 MeV/nucleon 129 Xe + nat Sn multifragmentation events, by means of correlation techniques, the multiplicities of the hydrogen and helium isotopes which were emitted by the hot primary excited fragments produced at the stage of the disassembly of an equilibrated hot source are determined. The relative kinetic energy distributions between the primary clusters and the light charged particles that they evaporate are also derived. From the comparison between the secondary multiplicities observed experimentally and the multiplicities predicted by the GEMINI model, it is concluded that the source breaks into primary fragments which are characterized by the same N/Z ratio as the combined system. Knowing the secondary light charged particle multiplicities and kinetic energies, the average charges of the hot fragments and are reconstructed their mean excitation energies are estimated. The fragment excitation energies are equal to 3.0 MeV/nucleon for the full range of intermediate mass fragment atomic number. This global constancy indicates that, on the average, thermodynamical equilibrium was achieved at the disassembly stage of the source. (author)

  14. Experimental determination of fragment excitation energies in multifragmentation events

    Energy Technology Data Exchange (ETDEWEB)

    Marie, N.; Natowitz, J.B. [Texas A and M Univ., College Station, TX (United States). Cyclotron Inst.; Chbihi, A.; Le Fevre, A.; Salou, S.; Wieleczko, J.P.; Gingras, L.; Auger, G. [Grand Accelerateur National d`Ions Lourds, 14 - Caen (France); Assenard, M. [Nantes Univ., 44 (France); Bacri, Ch.O. [Centre National de la Recherche Scientifique, CNRS, 91 - Orsay (France)] [and others

    1998-03-17

    For 50 MeV/nucleon {sup 129}Xe + {sup nat}Sn multifragmentation events, by means of correlation techniques, the multiplicities of the hydrogen and helium isotopes which were emitted by the hot primary excited fragments produced at the stage of the disassembly of an equilibrated hot source are determined. The relative kinetic energy distributions between the primary clusters and the light charged particles that they evaporate are also derived. From the comparison between the secondary multiplicities observed experimentally and the multiplicities predicted by the GEMINI model, it is concluded that the source breaks into primary fragments which are characterized by the same N/Z ratio as the combined system. Knowing the secondary light charged particle multiplicities and kinetic energies, the average charges of the hot fragments and are reconstructed their mean excitation energies are estimated. The fragment excitation energies are equal to 3.0 MeV/nucleon for the full range of intermediate mass fragment atomic number. This global constancy indicates that, on the average, thermodynamical equilibrium was achieved at the disassembly stage of the source. (author) 25 refs.

  15. General theory for environmental effects on (vertical) electronic excitation energies.

    Science.gov (United States)

    Schwabe, Tobias

    2016-10-21

    Almost 70 years ago, the first theoretical model for environmental effects on electronic excitation energies has been derived. Since then, several different interpretations and refined models have been proposed for the perichromic shift of a chromophore due to its surrounding medium. Some of these models are contradictory. Here, the contributing terms are derived within the framework of long-range perturbation theory with the least approximations so far. The derivation is based on a state-specific interpretation of the interaction energies and all terms can be identified with individual properties of either the chromophore or the surroundings, respectively. Further, the much debated contribution due to transition moments coupled to the environment can be verified in the form of a non-resonant excitonic coupling to the dynamic polarizabilities in the environment. These general insights should clarify discussions and interpretations of environmental effects on electronic excitations and should foster the development of new models for the computation of these effects.

  16. Excited state conformational dynamics in carotenoids: dark intermediates and excitation energy transfer.

    Science.gov (United States)

    Beck, Warren F; Bishop, Michael M; Roscioli, Jerome D; Ghosh, Soumen; Frank, Harry A

    2015-04-15

    A consideration of the excited state potential energy surfaces of carotenoids develops a new hypothesis for the nature of the conformational motions that follow optical preparation of the S2 (1(1)Bu(+)) state. After an initial displacement from the Franck-Condon geometry along bond length alternation coordinates, it is suggested that carotenoids pass over a transition-state barrier leading to twisted conformations. This hypothesis leads to assignments for several dark intermediate states encountered in femtosecond spectroscopic studies. The Sx state is assigned to the structure reached upon the onset of torsional motions near the transition state barrier that divides planar and twisted structures on the S2 state potential energy surface. The X state, detected recently in two-dimensional electronic spectra, corresponds to a twisted structure well past the barrier and approaching the S2 state torsional minimum. Lastly, the S(∗) state is assigned to a low lying S1 state structure with intramolecular charge transfer character (ICT) and a pyramidal conformation. It follows that the bent and twisted structures of carotenoids that are found in photosynthetic light-harvesting proteins yield excited-state structures that favor the development of an ICT character and optimized energy transfer yields to (bacterio)chlorophyll acceptors. Copyright © 2015 Elsevier Inc. All rights reserved.

  17. Atomic excitation and molecular dissociation by low energy electron collisions

    International Nuclear Information System (INIS)

    Weyland, Marvin

    2016-01-01

    In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

  18. Atomic excitation and molecular dissociation by low energy electron collisions

    Energy Technology Data Exchange (ETDEWEB)

    Weyland, Marvin

    2016-11-16

    In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

  19. Electric field dependence of the total excimer luminescence of xenon excited below the atomic ionization limit

    International Nuclear Information System (INIS)

    Anon.

    1987-01-01

    In the spectral region of interest (i.e., 11.1 eV ≤ h nu ≤ 11.9 eV), the photoionization yield of electrons from excited-state dimers of xenon, increases monotonically to relatively high values (e.g., Y(11.7 eV) = 0.43 electrons/absorbed photon). It is also known however, that the luminescence intensity excited by photons in this region is quite high, even at low pressures. These two observations can be reconciled only by assuming that one of the processes leading to excimer luminescence involves dimer-ion + electron recombination. If this assumption is correct, application of an electric field, with concomitant collection of the free charges generated by the incident photons, should lead to a decrease in luminescence intensity; moreover, this decrease should follow the energy dependence of the photoionization yield function. The present report demonstrates experimentally that this is indeed the case. Such experiments combining luminescence and electric fields were made, until now, only by high-energy excitation. In this case the deconvolution of the various decay channels is hardly possible

  20. Coherence, energy and charge transfers in de-excitation pathways of electronic excited state of biomolecules in photosynthesis

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F. Bary

    2013-01-01

    The observed multiple de-excitation pathways of photo-absorbed electronic excited state in the peridinin–chlorophyll complex, involving both energy and charge transfers among its constituents, are analyzed using the bio-Auger (B-A) theory. It is also shown that the usually used F¨orster–Dexter...

  1. Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

    Science.gov (United States)

    Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

    2011-04-15

    The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

  2. Total energy calculations from self-energy models

    International Nuclear Information System (INIS)

    Sanchez-Friera, P.

    2001-06-01

    Density-functional theory is a powerful method to calculate total energies of large systems of interacting electrons. The usefulness of this method, however, is limited by the fact that an approximation is required for the exchange-correlation energy. Currently used approximations (LDA and GGA) are not sufficiently accurate in many physical problems, as for instance the study of chemical reactions. It has been shown that exchange-correlation effects can be accurately described via the self-energy operator in the context of many-body perturbation theory. This is, however, a computationally very demanding approach. In this thesis a new scheme for calculating total energies is proposed, which combines elements from many-body perturbation theory and density-functional theory. The exchange-correlation energy functional is built from a simplified model of the self-energy, that nevertheless retains the main features of the exact operator. The model is built in such way that the computational effort is not significantly increased with respect to that required in a typical density-functional theory calculation. (author)

  3. Excitation of higher lying energy states in a rubidium DPAL

    Science.gov (United States)

    Wallerstein, A. J.; Perram, Glen; Rice, Christopher A.

    2018-02-01

    The spontaneous emission in a cw rubidium diode dumped alkali laser (DPAL) system was analyzed. The fluorescence from higher lying states decreases with additional buffer gas. The intermediate states (7S, 6P, 5D) decay more slowly with buffer gas and scale super-linearly with alkali density. A detailed kinetic model has been constructed, where the dominant mechanisms are energy pooling and single photon ionization. It also includes pumping into the non-Lorentzian wings of absorption profiles, fine structure mixing, collisional de-excitation, and Penning ionization. Effects of ionization in a high powered CW rubidium DPAL were assessed.

  4. Self-energy correction to the hyperfine splitting for excited states

    International Nuclear Information System (INIS)

    Wundt, B. J.; Jentschura, U. D.

    2011-01-01

    The self-energy corrections to the hyperfine splitting is evaluated for higher excited states in hydrogenlike ions using an expansion in the binding parameter Zα, where Z is the nuclear-charge number and α is the fine-structure constant. We present analytic results for D, F, and G states, and for a number of highly excited Rydberg states, with principal quantum numbers in the range 13≤n≤16, and orbital angular momenta l=n-2 and l=n-1. A closed-form analytic expression is derived for the contribution of high-energy photons, valid for any state with l≥2 and arbitrary n, l, and total angular momentum j. The low-energy contributions are written in the form of generalized Bethe logarithms and evaluated for selected states.

  5. Thermodynamics of the living organisms. Allometric relationship between the total metabolic energy, chemical energy and body temperature in mammals

    Science.gov (United States)

    Atanasov, Atanas Todorov

    2017-11-01

    The study present relationship between the total metabolic energy (ETME(c), J) derived as a function of body chemical energy (Gchem, J) and absolute temperature (Tb, K) in mammals: ETME(c) =Gchem (Tb/Tn). In formula the temperature Tn =2.73K appears normalization temperature. The calculated total metabolic energy ETME(c) differs negligible from the total metabolic energy ETME(J), received as a product between the basal metabolic rate (Pm, J/s) and the lifespan (Tls, s) of mammals: ETME = Pm×Tls. The physical nature and biological mean of the normalization temperature (Tn, K) is unclear. It is made the hypothesis that the kTn energy (where k= 1.3806×10-23 J/K -Boltzmann constant) presents energy of excitation states (modes) in biomolecules and body structures that could be in equilibrium with chemical energy accumulated in body. This means that the accumulated chemical energy allows trough all body molecules and structures to propagate excitations states with kTn energy with wavelength in the rage of width of biological membranes. The accumulated in biomolecules chemical energy maintains spread of the excited states through biomolecules without loss of energy.

  6. Frequency and wavenumber selective excitation of spin waves through coherent energy transfer from elastic waves

    OpenAIRE

    Hashimoto, Yusuke; Bossini, Davide; Johansen, Tom H.; Saitoh, Eiji; Kirilyuk, Andrei; Rasing, Theo

    2017-01-01

    Using spin-wave tomography (SWaT), we have investigated the excitation and the propagation dynamics of optically-excited magnetoelastic waves, i.e. hybridized modes of spin waves and elastic waves, in a garnet film. By using time-resolved SWaT, we reveal the excitation dynamics of magnetoelastic waves through coherent-energy transfer between optically-excited pure-elastic waves and spin waves via magnetoelastic coupling. This process realizes frequency and wavenumber selective excitation of s...

  7. Spectroscopic properties of the S1 state of linear carotenoids after excess energy excitation

    Science.gov (United States)

    Kuznetsova, Valentyna; Southall, June; Cogdell, Richard J.; Fuciman, Marcel; Polívka, Tomáš

    2017-09-01

    Properties of the S1 state of neurosporene, spheroidene and lycopene were studied after excess energy excitation in the S2 state. Excitation of carotenoids into higher vibronic levels of the S2 state generates excess vibrational energy in the S1 state. The vibrationally hot S1 state relaxes faster when carotenoid is excited into the S2 state with excess energy, but the S1 lifetime remains constant regardless of which vibronic level of the S2 state is excited. The S∗ signal depends on excitation energy only for spheroidene, which is likely due to asymmetry of the molecule, facilitating conformations responsible for the S∗ signal.

  8. A simplified approach for the coupling of excitation energy transfer

    Energy Technology Data Exchange (ETDEWEB)

    Shi Bo [Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei 230026 (China); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Gao Fang, E-mail: gaofang@iim.ac.cn [Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); State Key Laboratory of Robotics, Shenyang Institute of Automation, Chinese Academy of Sciences, Shenyang 110016 (China); Liang Wanzhen [Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei 230026 (China); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China)

    2012-02-06

    Highlights: Black-Right-Pointing-Pointer We propose a simple method to calculate the coupling of singlet-to-singlet and triplet-to-triplet energy transfer. Black-Right-Pointing-Pointer Coulomb term are the major contribution to the coupling of singlet-to-singlet energy transfer. Black-Right-Pointing-Pointer Effect from the intermolecular charge-transfer states dorminates in triplet-to-triplet energy transfer. Black-Right-Pointing-Pointer This method can be expanded by including correlated wavefunctions. - Abstract: A simplified approach for computing the electronic coupling of nonradiative excitation-energy transfer is proposed by following Scholes et al.'s construction on the initial and final states [G.D. Scholes, R.D. Harcourt, K.P. Ghiggino, J. Chem. Phys. 102 (1995) 9574]. The simplification is realized through defining a set of orthogonalized localized MOs, which include the polarization effect of the charge densities. The method allows calculating the coupling of both the singlet-to-singlet and triplet-to-triplet energy transfer. Numerical tests are performed for a few of dimers with different intermolecular orientations, and the results demonstrate that Coulomb term are the major contribution to the coupling of singlet-to-singlet energy transfer whereas in the case of triplet-to-triplet energy transfer, the dominant effect is arisen from the intermolecular charge-transfer states. The present application is on the Hartree-Fock level. However, the correlated wavefunctions which are normally expanded in terms of the determinant wavefunctions can be employed in the similar way.

  9. Plunger lifetime measurements after Coulomb excitation at intermediate beam energies

    Energy Technology Data Exchange (ETDEWEB)

    Hackstein, Matthias; Dewald, Alfred; Fransen, Christoph; Ilie, Gabriela; Jolie, Jan; Melon, Barbara; Pissulla, Thomas; Rother, Wolfram; Zell, Karl-Oskar [University of Cologne (Germany); Petkov, Pavel [University of Cologne (Germany); INRNE (Bulgaria); Chester, Aaron; Adrich, Przemyslaw; Bazin, Daniel; Bowen, Matt; Gade, Alexandra; Glasmacher, Thomas; Miller, Dave; Moeller, Victoria; Starosta, Krzysztof; Stolz, Andreas; Vaman, Constantin; Voss, Philip; Weissharr, Dirk [Michigan State Univerity (United States); Moeller, Oliver [TU Darmstadt (Germany)

    2008-07-01

    Two recoil-distance-doppler-shift (RDDS) experiments were performed at the NSCL/MSU using Coulomb excitations of the projectile nuclei {sup 110}Pd, {sup 114}Pd at beam energies of 54 MeV/u in order to investigate the evolution of deformation of neutron rich paladium isotopes. The experimental set-up consisted of a dedicated plunger device, developed at the University of Cologne, the SEGA Ge-array and the S800 spectrometer. Lifetimes of the 2{sub 1}{sup +}-states in {sup 110}Pd and {sup 114}Pd were derived from the analysis of the {gamma}-line-shapes as well as from the measured decay-curves. Special features of the data analysis, e.g. features originating from the very high recoil velocities, are discussed.

  10. Collective and single-particle states at high excitation energy

    International Nuclear Information System (INIS)

    Van den Berg, A.M.; Van der Molen, H.K.T.; Harakeh, M.N.; Akimune, H.; Daito, I.; Fujimura, H.; Fujiwara, M.; Ihara, F.; Inomata, T.

    2000-01-01

    Complete text of publication follows. Damping of high-lying single-particle states was investigated by the study of proton decay from high-lying states in 91 Nb, populated by the 90 Zr(α,t) reaction with E α = 180 MeV. In addition to decay to the ground state of 90 Zr, semi-direct decay was observed to the low-lying (2 + and 3 - ) phonon states, confirming the conclusion from other experiments that these phonon states play an important role in the damping process of the single-particle states. Furthermore, the population and decay of Isobaric Analogue States of 91 Zr, which are located at an excitation energy of about 10 - 12 MeV in 91 Nb, has been studied in the same reaction. (author)

  11. Total dynamic response of a PSS vehicle negotiating asymmetric road excitations

    Science.gov (United States)

    Zhu, Jian Jun; Khajepour, Amir; Esmailzadeh, Ebrahim

    2012-12-01

    A planar suspension system (PSS) is a novel automobile suspension system in which an individual spring-damper strut is implemented in both the vertical and longitudinal directions, respectively. The wheels in a vehicle with such a suspension system can move back and forth relative to the chassis. When a PSS vehicle experiences asymmetric road excitations, the relative longitudinal motion of wheels with respect to the chassis in two sides of the same axle are not identical, and thus the two wheels at one axle will not be aligned in the same axis. The total dynamic responses, including those of the bounce, pitch and the roll of the PSS vehicle, to the asymmetric road excitation may exhibit different characteristics from those of a conventional vehicle. This paper presents an investigation into the comprehensive dynamic behaviour of a vehicle with the PSS, in such a road condition, on both the straight and curved roads. The study was carried out using an 18 DOF full-car model incorporating a radial-spring tyre-ground contact model and a 2D tyre-ground dynamic friction model. Results demonstrate that the total dynamic behaviour of a PSS vehicle is generally comparable with that of the conventional vehicle, while PSS exhibits significant improvement in absorbing the impact forces along the longitudinal direction when compared to the conventional suspension system. The PSS vehicle is found to be more stable than the conventional vehicle in terms of the directional performance against the disturbance of the road potholes on a straight line manoeuvre, while exhibiting a very similar handling performance on a curved line.

  12. Excitation energy of the fragments produced in central collisions of Xe + Sn at intermediate energies

    International Nuclear Information System (INIS)

    Hudan, S.; Chbihi, A.; Frankland, J.D.

    2000-01-01

    Characteristics of the primary fragments produced in central collisions of Xe + Sn system from 32 to 50 AMeV have been deduced. By using the relative velocity correlation technique between the light charged particles (LCP) and detected fragments, we were able to extract the multiplicities and average kinetic energy of the secondary evaporated LCP. We then reconstructed the size and excitation energy of the primary fragments. For each bombarding energy a constant value of the excitation energy per nucleon, over the whole range of fragment charge has been found, suggesting that on the average thermodynamical equilibrium has been achieved at the freeze-out. This value increases slightly from 2.8 to 3.8 AMeV with a large increase of bombarding energy, 32 to 50 AMeV. (authors)

  13. Excitation energy of the fragments produced in central collisions of Xe + Sn at intermediate energies

    Energy Technology Data Exchange (ETDEWEB)

    Hudan, S.; Chbihi, A.; Frankland, J.D. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France)] [and others

    2000-07-01

    Characteristics of the primary fragments produced in central collisions of Xe + Sn system from 32 to 50 AMeV have been deduced. By using the relative velocity correlation technique between the light charged particles (LCP) and detected fragments, we were able to extract the multiplicities and average kinetic energy of the secondary evaporated LCP. We then reconstructed the size and excitation energy of the primary fragments. For each bombarding energy a constant value of the excitation energy per nucleon, over the whole range of fragment charge has been found, suggesting that on the average thermodynamical equilibrium has been achieved at the freeze-out. This value increases slightly from 2.8 to 3.8 AMeV with a large increase of bombarding energy, 32 to 50 AMeV. (authors)

  14. Total energy calculations for structural phase transformations

    International Nuclear Information System (INIS)

    Ye, Y.Y.; Chan, C.T.; Ho, K.M.; Harmon, B.N.

    1990-01-01

    The structural integrity and physical properties of crystalline solids are frequently limited or enhanced by the occurrence of phase transformations. Martensitic transformations involve the collective displacement of atoms from one ordered state to another. Modern methods to determine the microscopic electronic changes as the atoms move are now accurate enough to evaluate the very small energy differences involved. Extensive first principles calculations for the prototypical martensitic transformation from body-centered cubic (bcc) to closepacked 9R structure in sodium metal are described. The minimum energy coordinate or configuration path between the bcc and 9R structures is determined as well as paths to other competing close-packed structures. The energy barriers and important anharmonic interactions are identified and general conclusions drawn. The calculational methods used to solve the Schrodinger equation include pseudopotentials, fast Fourier transforms, efficient matrix diagnonalization, and supercells with many atoms

  15. Calculation of 0-0 excitation energies of organic molecules by CIS(D) quantum chemical methods

    International Nuclear Information System (INIS)

    Grimme, Stefan; Izgorodina, Ekaterina I.

    2004-01-01

    The accuracy and reliability of the CIS(D) quantum chemical method and a spin-component scaled variant (SCS-CIS(D)) are tested for calculating 0-0 excitation energies of organic molecules. The ground and excited state geometries and the vibrational zero-point corrections are taken from (TD)DFT-B3LYP calculations. In total 32 valence excited states of different character are studied: π → π* states of polycyclic aromatic compounds/polyenes and n → π* states of carbonyl, thiocarbonyl and aza(azo)-aromatic compounds. This set is augmented by two systems of special interest, i.e., indole and the TICT state of dimethylaminbenzonitrile (DMABN). Both methods predict excitation energies that are on average higher than experiment by about 0.2 eV. The errors are found to be quite systematic (with a standard deviation of about 0.15 eV) and especially SCS-CIS(D) provides a more balanced treatment of π → π* vs. n → π* states. For the test suite of states, both methods clearly outperform the (TD)DFT-B3LYP approach. Opposed to previous conclusions about the performance of CIS(D), these methods can be recommended as reliable and efficient tools for computational studies of excited state problems in organic chemistry. In order to obtain conclusive results, however, the use of optimized excited state geometries and comparison with observables (0-0 excitation energies) are necessary

  16. Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces.

    Science.gov (United States)

    Kowalski, Karol

    2009-05-21

    In this article we discuss the problem of proper balancing of the noniterative corrections to the ground- and excited-state energies obtained with approximate coupled cluster (CC) and equation-of-motion CC (EOMCC) approaches. It is demonstrated that for a class of excited states dominated by single excitations and for states with medium doubly excited component, the newly introduced nested variant of the method of moments of CC equations provides mathematically rigorous way of balancing the ground- and excited-state correlation effects. The resulting noniterative methodology accounting for the effect of triples is tested using its parallel implementation on the systems, for which iterative CC/EOMCC calculations with full inclusion of triply excited configurations or their most important subset are numerically feasible.

  17. Low-energy charge transfer excitations in NiO

    International Nuclear Information System (INIS)

    Sokolov, V I; Yermakov, A Ye; Uimin, M A; Gruzdev, N B; Pustovarov, V A; Churmanov, V N; Ivanov, V Yu; Sokolov, P S; Baranov, A N; Moskvin, A S

    2012-01-01

    Comparative analysis of photoluminescence (PL) and photoluminescence excitation (PLE) spectra of NiO poly- and nanocrystals in the spectral range 2-5.5 eV reveals two PLE bands peaked near 3.7 and 4.6 eV with a dramatic rise in the low-temperature PLE spectral weight of the 3.7 eV PLE band in the nanocrystalline NiO as compared with its polycrystalline counterpart. In frames of a cluster model approach we assign the 3.7 eV PLE band to the low-energy bulk-forbidden p-d (t 1g (π)-e g ) charge transfer (CT) transition which becomes the allowed one in the nanocrystalline state while the 4.6 eV PLE band is related to a bulk allowed d-d (e g -e g ) CT transition scarcely susceptible to the nanocrystallization. The PLE spectroscopy of the nanocrystalline materials appears to be a novel informative technique for inspection of different CT transitions.

  18. Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.

    Science.gov (United States)

    Ruberti, M; Yun, R; Gokhberg, K; Kopelke, S; Cederbaum, L S; Tarantelli, F; Averbukh, V

    2014-05-14

    Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.

  19. Excitations

    International Nuclear Information System (INIS)

    Dorner, B.

    1996-01-01

    A short introduction to instrumental resolution is followed by a discussion of visibilities of phonon modes due to their eigenvectors. High precision phonon dispersion curves in GaAs are presented together with 'ab initio' calculations. Al 2 O 3 is taken as an example of selected visibility due to group theory. By careful determination of phonon intensities eigenvectors can be determined, such as in Silicon and Diamond. The investigation of magnon modes is shown for the garnet Fe 2 Ca 3 (GeO 4 ) 3 , where also a quantum gap due to zero point spin fluctuations was observed. The study of the splitting of excitons in CsFeCl 3 in an applied magnetic field demonstrates the possibilities of neutron polarisation analysis, which made it possible to observe a mode crossing. An outlook to inelastic X-ray scattering with very high energy resolution of synchrotron radiation is given with the examples of phonons in Beryllium and in water. (author) 19 figs., 36 refs

  20. Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Ellis-Gibbings, L.; García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); School of Biology, Chemistry and Forensic Science, University of Wolverhampton, Wolverhampton WV1 1LY (United Kingdom); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-09-07

    We report differential cross sections (DCSs) and integral cross sections (ICSs) for electron-impact vibrational-excitation of pyrimidine, at incident electron energies in the range 15–50 eV. The scattered electron angular range for the DCS measurements was 15°–90°. The measurements at the DCS-level are the first to be reported for vibrational-excitation in pyrimidine via electron impact, while for the ICS we extend the results from the only previous condensed-phase study [P. L. Levesque, M. Michaud, and L. Sanche, J. Chem. Phys. 122, 094701 (2005)], for electron energies ⩽12 eV, to higher energies. Interestingly, the trend in the magnitude of the lower energy condensed-phase ICSs is much smaller when compared to the corresponding gas phase results. As there is no evidence for the existence of any shape-resonances, in the available pyrimidine total cross sections [Baek et al., Phys. Rev. A 88, 032702 (2013); Fuss et al., ibid. 88, 042702 (2013)], between 10 and 20 eV, this mismatch in absolute magnitude between the condensed-phase and gas-phase ICSs might be indicative for collective-behaviour effects in the condensed-phase results.

  1. Investigating the fission process at high excitation energies through proton induced reactions on 181Ta

    International Nuclear Information System (INIS)

    Ayyad, Y.; Benlliure, J.; Casajeros, E.; Alvarez Pol, H.; Paradela, C.; Perez-Loureido, D.; Tarrio, D.; Bacquias, A.; Boudard, A.; Kezzar, K.; Leray, S.; Enqvist, T.; Foehr, V.; Kelic, A.; Pleskac, R.

    2010-01-01

    In this work we have investigated the total fission cross section of 181 Ta + 1 H at FRS (Fragment Separator - GSI) at 1, 0.8, 0.5 and 0.3 GeV with a specific setup, providing high accuracy measurements of the cross section values. the comparison of our data with previous results reveals a good agreement at high energies. However the situation remains unclear at lower energies. In general, our results covering a wide range of energy, are smoother. We have also compared the results obtained in this experiment, with several calculations performed with the intra-nuclear cascade model (INCL v4.1) coupled to de-excitation code (ABLAv3p), according to two different models describing fission process at high-excitation energies: statistical model of Bohr and Wheeler and the dynamical description of the fission process. We have showed that a simple statistical description largely over-predict the measured cross-section. Only a dynamical description of the fission, involving the role of the viscosity of the nuclear matter, provides a realistic result.

  2. Z-dependence of Mean Excitation Energies for Second and Third Row Atoms and Their Ions

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Sabin, John R.; Oddershede, Jens

    2018-01-01

    All mean excitations energies for second and third row atoms and their ions are calculated in the random‐phase approximation using large basis sets. To a very good approximation it turns out that mean excitation energies within an isoelectronic series is a quadratic function of the nuclear charge...

  3. Excitation energy of a helium 3 quasiparticle in the bulk mixture at constant pressure

    International Nuclear Information System (INIS)

    Yim, M.B.

    1981-01-01

    A 3 He quasiparticle excitation energy in bulk mixture at zero pressure and 6% solution is calculated to O(x) using the bulk effective interaction of Yim and Massey. The present 3 He quasiparticle excitation energy is in agreement with the experimental result of Hilton, Scherm and Stirling. (author)

  4. Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

    International Nuclear Information System (INIS)

    Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

    2014-01-01

    A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

  5. Combining total energy and energy industrial center concepts to increase utilization efficiency of geothermal energy

    Science.gov (United States)

    Bayliss, B. P.

    1974-01-01

    Integrating energy production and energy consumption to produce a total energy system within an energy industrial center which would result in more power production from a given energy source and less pollution of the environment is discussed. Strong governmental support would be required for the crash drilling program necessary to implement these concepts. Cooperation among the federal agencies, power producers, and private industry would be essential in avoiding redundant and fruitless projects, and in exploiting most efficiently our geothermal resources.

  6. Field-dependent molecular ionization and excitation energies: Implications for electrically insulating liquids

    Directory of Open Access Journals (Sweden)

    N. Davari

    2014-03-01

    Full Text Available The molecular ionization potential has a relatively strong electric-field dependence as compared to the excitation energies which has implications for electrical insulation since the excited states work as an energy sink emitting light in the UV/VIS region. At some threshold field, all the excited states of the molecule have vanished and the molecule is a two-state system with the ground state and the ionized state, which has been hypothesized as a possible origin of different streamer propagation modes. Constrained density-functional theory is used to calculate the field-dependent ionization potential of different types of molecules relevant for electrically insulating liquids. The low singlet-singlet excitation energies of each molecule have also been calculated using time-dependent density functional theory. It is shown that low-energy singlet-singlet excitation of the type n → π* (lone pair to unoccupied π* orbital has the ability to survive at higher fields. This type of excitation can for example be found in esters, diketones and many color dyes. For alkanes (as for example n-tridecane and cyclohexane on the other hand, all the excited states, in particular the σ → σ* excitations vanish in electric fields higher than 10 MV/cm. Further implications for the design of electrically insulating dielectric liquids based on the molecular ionization potential and excitation energies are discussed.

  7. Total-factor energy efficiency in developing countries

    International Nuclear Information System (INIS)

    Zhang Xingping; Cheng Xiaomei; Yuan Jiahai; Gao Xiaojun

    2011-01-01

    This paper uses a total-factor framework to investigate energy efficiency in 23 developing countries during the period of 1980-2005. We explore the total-factor energy efficiency and change trends by applying data envelopment analysis (DEA) window, which is capable of measuring efficiency in cross-sectional and time-varying data. The empirical results indicate that Botswana, Mexico and Panama perform the best in terms of energy efficiency, whereas Kenya, Sri Lanka, Syria and the Philippines perform the worst during the entire research period. Seven countries show little change in energy efficiency over time. Eleven countries experienced continuous decreases in energy efficiency. Among five countries witnessing continuous increase in total-factor energy efficiency, China experienced the most rapid rise. Practice in China indicates that effective energy policies play a crucial role in improving energy efficiency. Tobit regression analysis indicates that a U-shaped relationship exists between total-factor energy efficiency and income per capita. - Research Highlights: → To measure the total-factor energy efficiency using DEA window analysis. → Focus on an application area of developing countries in the period of 1980-2005. → A U-shaped relationship was found between total-factor energy efficiency and income.

  8. Multi-step intramolecular excitation energy transfer in dendritic pyrene-phosphorus(V)porphyrin heptads

    International Nuclear Information System (INIS)

    Hirakawa, Kazutaka; Segawa, Hiroshi

    2016-01-01

    Dendritic heptad molecules in which four pyrenyl groups are connected at the central phosphorus atom of the edge-porphyrins of the center-to-edge type porphyrin trimers were synthesized to investigate a multi-step excitation energy transfer. As the central energy acceptor, two types porphyrins which one was phosphorus(V)tetraphenylporphyrin (H2) and another was its derivative substituted by butoxy groups at four para-position of meso-phenyl groups (H1) were used. In the photoexcited state of the pyrene units, the excitation energy transfer to the central-porphyrin unit was observed in toluene. The excitation energy transfer is considered to be through two pathways; one is a stepwise pathway through the edge-porphyrin unit and another is a direct excitation energy transfer to the central porphyrin. The direct excitation energy transfer from pyrenes to the edge-porphyrin and central-porphyrin were observed in the case for H1. From the excited state of the edge-porphyrins, the excitation energy transfer to the central-porphyrin occurs in the H1 case. In the H2 case, the excitation energy of central-porphyrin is higher than that of H1, and the electron transfer from edge-porphyrin to the central-porphyrin become predominant process. - Highlights: • Dendritic pyrene-porphyrin heptads were synthesized. • Excitation energy transfer occurs from the pyrenyl moiety to the phosphorus(V)porphyrin. • The stepwise and direct energy transfer pathways were observed. • The quantum yields of these energy transfer pathways could be determined.

  9. Multi-step intramolecular excitation energy transfer in dendritic pyrene-phosphorus(V)porphyrin heptads

    Energy Technology Data Exchange (ETDEWEB)

    Hirakawa, Kazutaka, E-mail: hirakawa.kazutaka@shizuoka.ac.jp [Applied Chemistry and Biochemical Engineering Course, Department of Engineering, Graduate School of Integrated Science and Technology, Shizuoka University, Johoku 3-5-1, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Department of Optoelectronics and Nanostructure Science, Graduate School of Science and Technology, Shizuoka University, Johoku 3-5-1, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Segawa, Hiroshi [Department of Multi-Disciplinary Science - General Systems Studies, Graduate School of Arts and Sciences, The University of Tokyo, Komaba 3-8-1, Meguro-ku, Tokyo 153-8904 (Japan); Research Center for Advanced Science and Technology, The University of Tokyo, Komaba 4-6-1, Meguro-ku, Tokyo 153-8904 (Japan)

    2016-11-15

    Dendritic heptad molecules in which four pyrenyl groups are connected at the central phosphorus atom of the edge-porphyrins of the center-to-edge type porphyrin trimers were synthesized to investigate a multi-step excitation energy transfer. As the central energy acceptor, two types porphyrins which one was phosphorus(V)tetraphenylporphyrin (H2) and another was its derivative substituted by butoxy groups at four para-position of meso-phenyl groups (H1) were used. In the photoexcited state of the pyrene units, the excitation energy transfer to the central-porphyrin unit was observed in toluene. The excitation energy transfer is considered to be through two pathways; one is a stepwise pathway through the edge-porphyrin unit and another is a direct excitation energy transfer to the central porphyrin. The direct excitation energy transfer from pyrenes to the edge-porphyrin and central-porphyrin were observed in the case for H1. From the excited state of the edge-porphyrins, the excitation energy transfer to the central-porphyrin occurs in the H1 case. In the H2 case, the excitation energy of central-porphyrin is higher than that of H1, and the electron transfer from edge-porphyrin to the central-porphyrin become predominant process. - Highlights: • Dendritic pyrene-porphyrin heptads were synthesized. • Excitation energy transfer occurs from the pyrenyl moiety to the phosphorus(V)porphyrin. • The stepwise and direct energy transfer pathways were observed. • The quantum yields of these energy transfer pathways could be determined.

  10. Maximizing direct current power delivery from bistable vibration energy harvesting beams subjected to realistic base excitations

    Science.gov (United States)

    Dai, Quanqi; Harne, Ryan L.

    2017-04-01

    Effective development of vibration energy harvesters is required to convert ambient kinetic energy into useful electrical energy as power supply for sensors, for example in structural health monitoring applications. Energy harvesting structures exhibiting bistable nonlinearities have previously been shown to generate large alternating current (AC) power when excited so as to undergo snap-through responses between stable equilibria. Yet, most microelectronics in sensors require rectified voltages and hence direct current (DC) power. While researchers have studied DC power generation from bistable energy harvesters subjected to harmonic excitations, there remain important questions as to the promise of such harvester platforms when the excitations are more realistic and include both harmonic and random components. To close this knowledge gap, this research computationally and experimentally studies the DC power delivery from bistable energy harvesters subjected to such realistic excitation combinations as those found in practice. Based on the results, it is found that the ability for bistable energy harvesters to generate peak DC power is significantly reduced by introducing sufficient amount of stochastic excitations into an otherwise harmonic input. On the other hand, the elimination of a low amplitude, coexistent response regime by way of the additive noise promotes power delivery if the device was not originally excited to snap-through. The outcomes of this research indicate the necessity for comprehensive studies about the sensitivities of DC power generation from bistable energy harvester to practical excitation scenarios prior to their optimal deployment in applications.

  11. [Review of wireless energy transmission system for total artificial heart].

    Science.gov (United States)

    Zhang, Chi; Yang, Ming

    2009-11-01

    This paper sums up the fundamental structure of wireless energy transmission system for total artificial heart, and compares the key parameters and performance of some representative systems. After that, it is discussed that the future development trend of wireless energy transmission system for total artificial heart.

  12. Total-factor energy efficiency of regions in China

    International Nuclear Information System (INIS)

    Hu, J.-L.; Wang, S.-C.

    2006-01-01

    This paper analyzes energy efficiencies of 29 administrative regions in China for the period 1995-2002 with a newly introduced index. Most existing studies of regional productivity and efficiency neglect energy inputs. We use the data envelopment analysis (DEA) to find the target energy input of each region in China at each particular year. The index of total-factor energy efficiency (TFEE) then divides the target energy input by the actual energy input. In our DEA model, labor, capital stock, energy consumption, and total sown area of farm crops used as a proxy of biomass energy are the four inputs and real GDP is the single output. The conventional energy productivity ratio regarded as a partial-factor energy efficiency index is computed for comparison in contrast to TFEE; our index is found fitting better to the real case. According to the TFEE index rankings, the central area of China has the worst energy efficiency and its total adjustmentof energy consumption amount is over half of China's total. Regional TFEE in China generally improved during the research period except for the western area. A U-shape relation between the area's TFEE and per capita income in the areas of China is found, confirming the scenario that energy efficiency eventually improves with economic growth

  13. Luminescence decay in condensed argon under high energy excitation

    International Nuclear Information System (INIS)

    Carvalho, M.J.; Klein, G.

    1978-01-01

    α and β particles were used to study the luminescence of condensed argon. The scintillation decay has always two components independently of the phase and the kind of the exciting particles. Decay time constants are given for solid, liquid and also gaseous argon. Changes in the relative intensity values of the two components are discussed in terms of track effects

  14. Ordering and low energy excitations in strongly correlated bronzes

    NARCIS (Netherlands)

    Sagara, Dodderi Manjunatha

    2006-01-01

    Summary In any solid system, whether it is superconducting, shows a charge-density-wave behavior, or any other kind of ground state, two aspects drag the attention of the scientific community. They are order and excitations in solids. The ordering may be due to electronic, lattice, spin or orbital

  15. Energy principle for excitations in plasmas with counterstreaming electron flows

    Science.gov (United States)

    Kumar, Atul; Shukla, Chandrasekhar; Das, Amita; Kaw, Predhiman

    2018-05-01

    A relativistic electron beam propagating through plasma induces a return electron current in the system. Such a system of interpenetrating forward and return electron current is susceptible to a host of instabilities. The physics of such instabilities underlies the conversion of the flow kinetic energy to the electromagnetic field energy. Keeping this in view, an energy principle analysis has been enunciated in this paper. Such analyses have been widely utilized earlier in the context of conducting fluids described by MHD model [I. B. Bernstein et al., Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences 244(1236), 17-40 (1958)]. Lately, such an approach has been employed for the electrostatic two stream instability for the electron beam plasma system [C. N. Lashmore-Davies, Physics of Plasmas 14(9), 092101 (2007)]. In contrast, it has been shown here that even purely growing mode like Weibel/current filamentation instability for the electron beam plasma system is amenable to such a treatment. The treatment provides an understanding of the energetics associated with the growing mode. The growth rate expression has also been obtained from it. Furthermore, it has been conclusively demonstrated in this paper that for identical values of S4=∑αn0 αv0α 2/n0γ0 α, the growth rate is higher when the counterstreaming beams are symmetric (i.e. S3 = ∑αn0αv 0α/n0γ0α = 0) compared to the case when the two beams are asymmetric (i.e. when S3 is finite). Here, v 0α, n0α and γ0α are the equilibrium velocity, electron density and the relativistic factor for the electron species `α' respectively and n0 = ∑αn0α is the total electron density. Particle - In - Cell simulations have been employed to show that the saturated amplitude of the field energy is also higher in the symmetric case.

  16. Energy harvesting from coherent resonance of horizontal vibration of beam excited by vertical base motion

    Energy Technology Data Exchange (ETDEWEB)

    Lan, C. B.; Qin, W. Y. [Department of Engineering Mechanics, Northwestern Polytechnical University, Xi' an 710072 (China)

    2014-09-15

    This letter investigates the energy harvesting from the horizontal coherent resonance of a vertical cantilever beam subjected to the vertical base excitation. The potential energy of the system has two symmetric potential wells. So, under vertical excitation, the system can jump between two potential wells, which will lead to the large vibration in horizontal direction. Two piezoelectric patches are pasted to harvest the energy. From experiment, it is found that the vertical excitation can make the beam turn to be bistable. The system can transform vertical vibration into horizontal vibration of low frequency when excited by harmonic motion. The horizontal coherence resonance can be observed when excited by a vertical white noise. The corresponding output voltages of piezoelectric films reach high values.

  17. Ioniclike energy structure of neutral core-excited states in free Kr clusters

    International Nuclear Information System (INIS)

    Peredkov, S.; Sorensen, S.L.; Kivimaeki, A.; Schulz, J.; Maartensson, N.; Oehrwall, G.; Lundwall, M.; Rander, T.; Lindblad, A.; Bergersen, H.; Svensson, S.; Bjoerneholm, O.; Tchaplyguine, M.

    2005-01-01

    The development of electronic states in krypton clusters is investigated by high-resolution core-level electron spectroscopy. The energy ordering of bulk versus surface 3d -1 np(n>5) core-excited states in neutral clusters is demonstrated to be reversed to the 3d -1 5p level situation. The cluster 3d -1 6p,7p states are proven to be at a lower energy than the corresponding atomic levels. These findings reveal the ioniclike energy structure of the neutral cluster core-excited levels. The phenomenon is explained by a spatial spread of the excited orbitals over the cluster lattice

  18. Role of methylene spacer in the excitation energy transfer in europium 1- and 2- naphthylcarboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Zhuravlev, K. [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation); Tsaryuk, V., E-mail: vit225@ire216.msk.s [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation); Kudryashova, V.; Pekareva, I. [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation); Sokolnicki, J. [Faculty of Chemistry, University of WrocLaw, 14 F. Joliot-Curie str., WrocLaw 50-383 (Poland); Yakovlev, Yu. [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation)

    2010-08-15

    A series of compounds Ln(RCOO){sub 3}.Phen (Ln=Eu, Gd, Tb; RCOO{sup -}-1- and 2-naphthoate, 1- and 2-naphthylacetate, 1- and 2-naphthoxyacetate anions, Phen-1,10-phenanthroline) was investigated by methods of optical spectroscopy. Compounds of composition Ln(RCOO){sub 3}.nH{sub 2}O with the same carboxylate ligands are also considered. Results of studies of the effects of methylene spacer decoupling the {pi}-{pi}- or p-{pi}-conjugation in the naphthylcarboxylate ligand on the structure of Eu{sup 3+} coordination centre, on the lifetime of {sup 5}D{sub 0} (Eu{sup 3+}) state, and on processes of the excitation energy transfer to Eu{sup 3+} or Tb{sup 3+} ions are presented. Introduction of the methylene bridge in the ligand weakens the influence of the steric hindrances in forming of a crystal lattice and results in lowering the distortion of the Eu{sup 3+} luminescence centre, and in elongation of the observed {sup 5}D{sub 0} lifetime {tau}{sub obs}. The latter is caused by decrease in contribution of the radiative processes rate 1/{tau}{sub r}. This is confirmed by the correlation between the lifetimes {tau}{sub obs} and the quantities '{tau}{sub r}.const' inversely proportional to the total integral intensities of Eu(RCOO){sub 3}.Phen luminescence spectra. The methylene spacer performs a role of regulator of sensitization of the Ln{sup 3+} luminescence efficiency by means of an influence on mutual location of lowest triplet states of the ligands, the ligand-metal charge transfer (LMCT) states, and the emitting states of Ln{sup 3+} ions. The lowest triplet state in lanthanide naphthylcarboxylate adducts with Phen is related to carboxylate anion. A presence of the methylene spacer in naphthylcarboxylate ligand increases the triplet state energy. At the same time, the energy of 'carboxylic group-Eu{sup 3+} ion' charge transfer states falls, which can promote the degradation of excitation energy. In naphthylcarboxylates investigated a range of the

  19. Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

    Science.gov (United States)

    Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

    2018-06-01

    A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

  20. Energy transfer and quenching processes of excited uranyl ion and lanthanide ions in solutions

    International Nuclear Information System (INIS)

    Yamamura, Tomoo; Tomiyasu, Hiroshi

    1995-01-01

    Deactivation processes of photoexcited uranyl ion by various lanthanide ions in aqueous solution were studied. Each lanthanide ions show different interaction with excited uranyl ion depending on its lowest excited energy level, the number of 4f electrons and the acid concentration of the solution. (author)

  1. Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Pitzner-Frydendahl, Henrik Frank; Buse, Mogens

    2015-01-01

    methods, the original SOPPA method as well as SOPPA(CCSD) and RPA(D) in the calculation of vertical electronic excitation energies and oscillator strengths is investigated for a large benchmark set of 28 medium-size molecules with 139 singlet and 71 triplet excited states. The results are compared...

  2. Optimized design of total energy systems: The RETE project

    Science.gov (United States)

    Alia, P.; Dallavalle, F.; Denard, C.; Sanson, F.; Veneziani, S.; Spagni, G.

    1980-05-01

    The RETE (Reggio Emilia Total Energy) project is discussed. The total energy system (TES) was developed to achieve the maximum quality matching on the thermal energy side between plant and user and perform an open scheme on the electrical energy side by connection with the Italian electrical network. The most significant qualitative considerations at the basis of the plant economic energy optimization and the selection of the operating criterion most fitting the user consumption characteristics and the external system constraints are reported. The design methodology described results in a TES that: in energy terms achieves a total efficiency evaluated on a yearly basis to be equal to about 78 percent and a fuel saving of about 28 percent and in economic terms allows a recovery of the investment required as to conventional solutions, in about seven years.

  3. Hadron fragment emission in cluster excitation processes at medium energies

    International Nuclear Information System (INIS)

    Kovacs, Zs.

    1985-12-01

    An extended version of the cluster excitation model is proposed to describe the emission of various particle types in nuclear reactions in a consistent way. At first pion, proton deuteron and triton spectra from neutron-carbon interactions at 545 MeV in the angular region from deg 73 to deg 165 were tried to interpret by the model. The results are compared with model calculations. (author)

  4. Quasi-particle excitations in low energy fission

    International Nuclear Information System (INIS)

    Ashgar, M.; Djebara, M.; Bocquet, J.P.; Brissot, R.; Maurel, M.; Nifenecker, H.; Ristori, C.

    1985-05-01

    Proton odd-even effect for 229 Th(nsub(th),f) and 232 U(nsub(th),f) has been determined with a ΔE-Esub(R) gas telescope. These data indicate that the qp-particle excitation probability at the saddle point is small and most of its results, when the nucleus moves from saddle to scission and the neck ruptures into final fragments. These results are discussed in terms of the different ideas and models

  5. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter.

  6. Mean excitation energies for use in Bethe's stopping-power formula

    International Nuclear Information System (INIS)

    Berger, M.J.; Seltzer, S.M.

    1983-01-01

    A review has been made of the mean excitation energies that can be derived from the analysis of stopping-power and range measurements, and from semi-empirical dipole oscillator-strength distributions for gases and dielectric-response functions for solids. On the basis of this review, mean excitation energies have been selected for 43 elemental substances and 54 compounds. Additivity rules have also been considered which allow one to estimate the mean excitation energies for compounds for which no direct data are available. These additivity rules are based on the use of mean excitation energies for atomic constituents which, to a certain extent, take into account the effects of chemical binding and physical aggregation

  7. Ultrafast excitation energy transfer from encapsulated quaterrylene to single-walled carbon nanotube

    Energy Technology Data Exchange (ETDEWEB)

    Koyama, Takeshi, E-mail: koyama@nuap.nagoya-u.ac.jp [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Tsunekawa, Takuya [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Saito, Takeshi [Research Center for Advanced Carbon Materials, AIST, Tsukuba, Ibaraki 305-8565 (Japan); Asaka, Koji; Saito, Yahachi [Department of Quantum Engineering, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Kishida, Hideo [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Nakamura, Arao [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Toyota Physical and Chemical Research Institute, Nagakute, Aichi 480-1192 (Japan)

    2016-01-15

    We investigate excitation energy transfer from an encapsulated quaterrylene molecule to a single-walled carbon nanotube by means of femtosecond pump-probe spectroscopy. The time constant of energy transfer becomes shorter with increasing average diameter of nanotube: 1.4±0.2 ps for 1.0 nm, 1.1±0.2 ps for 1.4 nm, and 0.4±0.1 ps for 1.8 nm. The observed behavior is discussed considering the distance of less than 1 nm between the molecule and the nanotube wall. - Highlights: • Dynamical properties of excited states in quaterrylene/SWNT composites were studied. • Excitation energy transfer occurs in the time range of 0.4-1.4 ps. • The transfer rate depends on the nanotube diameter, i.e. molecule-nanotube wall distance. • This dependence indicates the feature of excitation energy transfer on the nanoscale.

  8. Optogalvanic monitoring of collisional transfer of laser excitation energy in a neon RF plasma

    International Nuclear Information System (INIS)

    Armstrong, T.D.

    1994-01-01

    The optogalvanic signals produced by pulsed laser excitation of 1s5--2p8 and 1s5-2p9 (Paschen notation) transition by a ∼29 MHz radiofrequency (rf) discharge at ∼5 torr have been investigated. The optogalvanic signal produced by 1s5-2p9 excitations indicates that there is transfer of energy from the 2p9 state to some other state. The state to which this energy is transferred is believed to be mainly the 2p8 state because of the very small energy gap between the 2p9 and 2p8 states. To verify this transfer, the 1s5-2p8 transition was investigated. The similarity of the temporal profiles of the optogalvanic signals in both excitations confirms the collisional transfer of laser excitation energy from 2p9 to 2p8

  9. Proceedings of the 1984 workshop on high-energy excitations in condensed matter. Volume II

    International Nuclear Information System (INIS)

    Silver, R.N.

    1984-12-01

    This volume covers electronic excitations, momentum distributions, high energy photons, and a wrap-up session. Abstracts of individual items from the conference were prepared separately for the data base

  10. Effect of Optical Excitation Energy on the Red Luminescence of Eu(3+) in GaN

    National Research Council Canada - National Science Library

    Peng, H. Y; Lee, C. W; Everitt, H. O; Lee, D. S; Steckl, A. J; Zavada, J. M

    2005-01-01

    ...)] transition from GaN:Eu. Time-resolved PL measurements revealed that for excitation at the GaN bound exciton energy, the decay transients are almost temperature insensitive between 86 K and 300 K, indicating an efficient...

  11. Investigation of transversal nuclear excitation in 208Pb at excitation energies between 6 MeV and 8 MeV using inelastic electron scattering

    International Nuclear Information System (INIS)

    Frey, R.W.

    1978-01-01

    Using high resolution inelastic electron scattering magnitic dipole and quadrupole excitations in 208 Pb were investigated in the energy range between 6 MeV and 8 MeV. The electron energy was 50 MeV and 63.5 MeV. With a mean absolute energy resolution of 33 kev. 44 excited states were found in the above energy range. The measured angular distributions were compared with DWBA-calculations using random phase approximated wave functions. (FKS)

  12. Energy Inputs Uncertainty: Total Amount, Distribution and Correlation Between Different Forms of Energy

    Science.gov (United States)

    Deng, Yue

    2014-01-01

    Describes solar energy inputs contributing to ionospheric and thermospheric weather processes, including total energy amounts, distributions and the correlation between particle precipitation and Poynting flux.

  13. Identification of the low-energy excitations in a quantum critical system

    Directory of Open Access Journals (Sweden)

    Tom Heitmann

    2017-05-01

    Full Text Available We have identified low-energy magnetic excitations in a doped quantum critical system by means of polarized neutron scattering experiments. The presence of these excitations could explain why Ce(Fe0.76Ru0.242Ge2 displays dynamical scaling in the absence of local critical behavior or long-range spin-density wave criticality. The low-energy excitations are associated with the reorientations of the superspins of fully ordered, isolated magnetic clusters that form spontaneously upon lowering the temperature. The system houses both frozen clusters and dynamic clusters, as predicted by Hoyos and Vojta [Phys. Rev. B 74, 140401(R (2006].

  14. Excitation energy of the lowest 2+ and 3- levels in 32Mg and 146Gd

    International Nuclear Information System (INIS)

    Barranco, M.; Lombard, R.J.

    1978-06-01

    The excitation energy of the lowest 2 + and 3 - levels are calculated for neutron rich Mg-isotopes as well as for N=82 isotones. The calculations are made by assuming quadrupole-quadrupole and octupole-octupole forces. The quasi-particles energies and occupation numbers are taken from the energy density method

  15. Effect of magnetic field on the impurity binding energy of the excited ...

    Indian Academy of Sciences (India)

    The effect of external magnetic field on the excited state energies in a spherical quantum dot was studied. The impurity energy and binding energy were calculated using the variational method within the effective mass approximation and finite barrier potential. The results showed that by increasing the magnetic field, the ...

  16. Effect of magnetic field on the impurity binding energy of the excited ...

    Indian Academy of Sciences (India)

    Abstract. The effect of external magnetic field on the excited state energies in a spher- ical quantum dot was studied. The impurity energy and binding energy were calculated using the variational method within the effective mass approximation and finite barrier potential. The results showed that by increasing the magnetic ...

  17. Total Cross Sections at High Energies An update

    CERN Document Server

    Fazal-e-Aleem, M; Alam, Saeed; Qadee-Afzal, M

    2002-01-01

    Current and Future measurements for the total cross sections at E-811, PP2PP, CSM, FELIX and TOTEM have been analyzed using various models. In the light of this study an attempt has been made to focus on the behavior of total cross section at very high energies.

  18. Total Energy. Sustainable cooling and heating in supermarkets; Total Energy. Duurzame koeling en verwarming supermarkten

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-03-15

    In 8 articles attention is paid to different aspects of cooling and heating in supermarkets: new coolants in the food retail sector, the climate plan of the Dutch Food Retail Association (CBL), he Round Table discussion with between CBL and supermarket chains about research results, approach and targets, the use of CO2 refrigeration in supermarkets, leakage of coolants from refrigerators and freezers in Dutch supermarkets, the energy efficient and environment-friendly refrigerator and freezer equipment of the distribution centre of supermarket chain C1000 in Raalte, Netherlands, changes for cooling techniques in the EIA energy list (Energy investment deduction scheme) and finally education options for the refrigeration industry in the Netherlands. [Dutch] In 8 artikelen wordt aandacht geschonken aan verschillende aspecten m.b.t. koeling en verwarming in supermarkten: nieuwe koelmiddelen in de 'food retail sector, het klimaatplan van de brancheorganisatie Centraal Bureau Levensmiddelenhandel (CBL), het Rondetafel overleg met de CBL en supermarktketens over onderzoeksresultaten, aanpak en doelen, de toepassing van CO2 koeling in supermarkten, lekkage van koelmiddelen uit koel- en vriesinstallaties in Nederlandse supermarkten, de energiezuinige en milieuvriendelijke koel-vriesinstallatie van het distributiecentrum van de supermarktketen C1000 in Raalte, wijzigingen voor koeltechniek in de EIA energielijst (Energie Investeringsaftrek subsidieregeling), en tenslotte opleidingsmogelijkheden voor de koeltechnische sector in Nederland.

  19. Energy risk management through self-exciting marked point process

    International Nuclear Information System (INIS)

    Herrera, Rodrigo

    2013-01-01

    Crude oil is a dynamically traded commodity that affects many economies. We propose a collection of marked self-exciting point processes with dependent arrival rates for extreme events in oil markets and related risk measures. The models treat the time among extreme events in oil markets as a stochastic process. The main advantage of this approach is its capability to capture the short, medium and long-term behavior of extremes without involving an arbitrary stochastic volatility model or a prefiltration of the data, as is common in extreme value theory applications. We make use of the proposed model in order to obtain an improved estimate for the Value at Risk in oil markets. Empirical findings suggest that the reliability and stability of Value at Risk estimates improve as a result of finer modeling approach. This is supported by an empirical application in the representative West Texas Intermediate (WTI) and Brent crude oil markets. - Highlights: • We propose marked self-exciting point processes for extreme events in oil markets. • This approach captures the short and long-term behavior of extremes. • We improve the estimates for the VaR in the WTI and Brent crude oil markets

  20. The structure of nuclear states at low, intermediate and high excitation energies

    International Nuclear Information System (INIS)

    Soloviev, V.G.

    1976-01-01

    It is shown that within the model based on the quasiparticle-phonon interaction one can obtain the description of few-quasiparticle components of nuclear states at low, intermediate and high excitation energies. For the low-lying states the energy of each level is calculated. The few-quasiparticle components at intermediate and high excitation energies are represented to be averaged in certain energy intervals and their characteri stics are given as the corresponding strength functions. The fragmentation of single-particle states in deformed nuclei is studied. It is shown that in the distribution of the single-particle strength alongside with a large maximum there appear local maxima and the distribution itself has a long tail. The dependence of neutron strength functions on the excitation energy is investigated for the transfer reaction of the type (d,p) and (d,t). The s,- p,- and d-wave neutron strength functions are calculated at the neutron binding energy Bn. A satisfactory agreement with experiment is obtained. The energies and Elambda-strength functions for giant multipole resonances in deformed nuclei are calculated. The energies of giant quadrupole and octupole resonances are calculated. Their widths and fine structure are being studied. It is stated that to study the structure of highly excited states it is necessary to find the values of many-quasiparticle components of the wave functions. The ways of experimental determination of these components based on the study of γ-transitions between highly excited states are discussed

  1. Influence of donor-donor transport on excitation energy transfer

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, K K; Joshi, H C; Pant, T C [Kumaun University, Nainital (India). Department of Physics

    1989-01-01

    Energy migration and transfer from acriflavine to rhodamine B and malachite green in poly (methylmethacrylate) have been investigated using the decay function analysis. It is found that the influence of energy migration in energy transfer can be described quite convincingly by making use of the theories of Loring, Andersen and Fayer (LAF) and Huber. At high acceptor concentration direct donor-acceptor transfer occurs through Forster mechanism. (author). 17 refs., 5 figs.

  2. Isobar excitations and low energy spectra of light nuclei

    International Nuclear Information System (INIS)

    Czerski, P.

    1984-01-01

    The aim of this investigation is to study the possible influence of inner excitations of nucleons into the Δ(3,3)-resonance on the low lying spectra of light nuclei like 12 C and 16 O. Before we can study the effect of such exotic configurations one has to perform a reliable investigation within the normal nuclear model, which is based on a microscopic theory. This is achieved by performing RPA (Random Phase Approximation) calculations using a realistic residual interaction derived from the Brueckner G-matrix. An efficient parametrisation of the residual interaction is introduced and the reliability of the more phenomenological parametrisations which are generally used is discussed. Within such realistic calculations, the isobar effects are small. (orig.) [de

  3. σ-SCF: A direct energy-targeting method to mean-field excited states.

    Science.gov (United States)

    Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D; Van Voorhis, Troy

    2017-12-07

    The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry-a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states-ground or excited-are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H 2 , HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

  4. Medium properties and total energy coupling in underground explosions

    International Nuclear Information System (INIS)

    Kurtz, S.R.

    1975-01-01

    A phenomenological model is presented that allows the direct calculation of the effects of variations in medium properties on the total energy coupling between the medium and an underground explosion. The model presented is based upon the assumption that the shock wave generated in the medium can be described as a spherical blast wave at early times. The total energy coupled to the medium is then simply the sum of the kinetic and internal energies of this blast wave. Results obtained by use of this model indicate that the energy coupling is more strongly affected by the medium's porosity than by its water content. These results agree well with those obtained by summing the energy deposited by the blast wave as a function of range

  5. Economic analysis model for total energy and economic systems

    International Nuclear Information System (INIS)

    Shoji, Katsuhiko; Yasukawa, Shigeru; Sato, Osamu

    1980-09-01

    This report describes framing an economic analysis model developed as a tool of total energy systems. To prospect and analyze future energy systems, it is important to analyze the relation between energy system and economic structure. We prepared an economic analysis model which was suited for this purpose. Our model marks that we can analyze in more detail energy related matters than other economic ones, and can forecast long-term economic progress rather than short-term economic fluctuation. From view point of economics, our model is longterm multi-sectoral economic analysis model of open Leontief type. Our model gave us appropriate results for fitting test and forecasting estimation. (author)

  6. Influence of collision energy and vibrational excitation on the ...

    Indian Academy of Sciences (India)

    tions of potential energy surface (PES) for BrH2 system are more ... rier heights for both the exchange and abstraction are smaller than ... The complete picture on the dynamics of ..... Kurosaki Y and Takayanagi T private communication. 20.

  7. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Shamim, Md; Harbola, Manoj K, E-mail: sami@iitk.ac.i, E-mail: mkh@iitk.ac.i [Department of Physics, Indian Institute of Technology, Kanpur 208 016 (India)

    2010-11-14

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  8. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    International Nuclear Information System (INIS)

    Shamim, Md; Harbola, Manoj K

    2010-01-01

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  9. Competition between excited core states and 1homega single-particle excitations at comparable energies in {sup 207}Pb from photon scattering

    Energy Technology Data Exchange (ETDEWEB)

    Pietralla, N., E-mail: pietralla@ikp.tu-darmstadt.d [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany); Li, T.C. [Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Fritzsche, M. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Ahmed, M.W. [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Ahn, T.; Costin, A. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany); Enders, J. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Li, J. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Mueller, S.; Neumann-Cosel, P. von [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Pinayev, I.V. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Ponomarev, V.Yu.; Savran, D. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Tonchev, A.P.; Tornow, W.; Weller, H.R. [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Werner, V. [A.W. Wright Nuclear Structure Laboratory (WNSL), Yale University, New Haven, CT (United States); Wu, Y.K. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Zilges, A. [Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany)

    2009-10-26

    The Pb(gamma{sup -}>,gamma{sup '}) photon scattering reaction has been studied with the nearly monochromatic, linearly polarized photon beams at the High Intensity gamma-ray Source (HIgammaS) at the DFELL. Azimuthal scattering intensity asymmetries measured with respect to the polarization plane of the beam have been used for the first time to assign both the spin and parity quantum numbers of dipole excited states of {sup 206,207,208}Pb at excitation energies in the vicinity of 5.5 MeV. Evidence for dominant particle-core coupling is deduced from these results along with information on excitation energies and electromagnetic transition matrix elements. Implications of the existence of weakly coupled states built on highly excited core states in competition with 1homega single particle (hole) excitations at comparable energies are discussed.

  10. Glass-like, low-energy excitations in neutron-irradiated quartz

    International Nuclear Information System (INIS)

    Gardner, J.W.

    1980-01-01

    The specific heat and thermal conductivity of neutron-irradiated crystalline quartz have been measured for temperatures approx. = 0.1 to 5 K. Four types of low-energy excitations are observed in the irradiated samples, two of which can be removed selectively by heat treatment. One set of remaining excitations gives rise to low-temperature thermal behavior characteristic of glassy (amorphous) solids. The density of these glass-like excitations can be 50% the density observed in vitreous silica, yet the sample still retains long-range atomic order. In a less-irradiated sample, glass-like excitations may be present with a density only approx. = 2.5% that observed in vitreous silica and possess a similar broad energy spectrum over 0.1 to 1 K

  11. Plasmon assisted control of photo-induced excitation energy transfer in a molecular chain

    Science.gov (United States)

    Wang, Luxia; May, Volkhard

    2017-08-01

    The strong and ultrafast laser pulse excitation of a molecular chain in close vicinity to a spherical metal nano-particle (MNP) is studied theoretically. Due to local-field enhancement around the MNP, pronounced excited-state formation has to be expected for the part of the chain which is in proximity to the MNP. Here, the description of this phenomenon will be based on a uniform quantum theory of the MNP-molecule system. It accounts for local-field effects due to direct consideration of the strong excitation energy transfer coupling between the MNP and the various molecules. The molecule-MNP distances are chosen in such a way as to achieve a correct description of the MNP via dipole-plasmon excitations. Short plasmon life-times are incorporated in the framework of a density matrix approach. By extending earlier work the present description allows for multi-exciton formation and multiple dipole-plasmon excitation. The region of less intense and not-too-short optical excitation is identified as being best suited for excitation energy localization in the chain.

  12. De-excitation gamma-ray technique for improved resolution in intermediate energy photonuclear reactions

    International Nuclear Information System (INIS)

    Kuzin, A.; Thompson, M.N.; Rassool, R.; Adler, J.O.; Fissum, K.; Issaksson, L.; Ruijter, H.; Schroeder, B.; Annand, J.R.M.; McGeorge, J.C.; Crawford, G.I.; Gregel, J.

    1997-01-01

    The 12 C (γ,p) reaction was studied. The experiment was done at the MAX Laboratory of Lund University, using tagged photons with energy between 50 and 70 MeV and natural carbon targets. It has been possible to detect γ-ray emitted from the residual nucleus, in coincidence with photoprotons leading to the excited residual state. The 200 KeV gamma-ray resolution permitted the identification of the residual states and allowed off-line cuts to be made in order to identify the excitation region in 11 B from what particular de-excitation gamma-ray were seen. 9 refs., 1 tab., 3 figs

  13. Study of excitation energy sharing in heavy ion collisions as a function of their inelasticity

    International Nuclear Information System (INIS)

    Lott, B.

    1986-01-01

    The excitation energy sharing between the fragments of a heavy ion collision has been studied for quasi-elastic and deep inelastic mechanisms. A 32 S beam of 232 MeV incident energy has been used to bombard several targets (S, 58 Ni, 93 Nb). The evaporated charged particle multiplicities have been measured by inclusive measurements of the projectile-like nuclei and exclusive measurements of the two final nuclei. Evaporation calculations using the Hauser-Feshbach formalism allows us to deduce from the multiplicity measurements the projectile-like excitation energy. These results are compatible with the assumption of an equal sharing of excitation energies for quasi-elastic reaction products, and with the assumption of a mass ratio sharing for fully relaxed reaction products. Limiting values for the relaxation time of this mode have been deduced and are in agreement with predictions from the model developed by Randrup [fr

  14. Singlet-triplet splittings from the virial theorem and single-particle excitation energies

    Science.gov (United States)

    Becke, Axel D.

    2018-01-01

    The zeroth-order (uncorrelated) singlet-triplet energy difference in single-particle excited configurations is 2Kif, where Kif is the Coulomb self-energy of the product of the transition orbitals. Here we present a non-empirical, virial-theorem argument that the correlated singlet-triplet energy difference should be half of this, namely, Kif. This incredibly simple result gives vertical HOMO-LUMO excitation energies in small-molecule benchmarks as good as the popular TD-B3LYP time-dependent approach to excited states. For linear acenes and nonlinear polycyclic aromatic hydrocarbons, the performance is significantly better than TD-B3LYP. In addition to the virial theorem, the derivation borrows intuitive pair-density concepts from density-functional theory.

  15. Effect of collision energy and vibrational excitation on endothermic ion-molecule reactions

    International Nuclear Information System (INIS)

    Turner, T.P.

    1984-07-01

    This thesis is divided into two major parts. In the first part an experimental study of proton and deuteron transfer in H 2 + + He and HD + + He has been carried out as a function of kinetic and vibrational energy. The data gives evidence that at lower kinetic energies, the spectator stripping mechanism indeed plays an important role when H 2 + or HD + is vibrationally excited. The second half of this thesis examines the relative efficiencies between the excitation of C-C stretching vibration and collision energy on the promotion of the H atom transfer reaction of C 2 H 2 + + H 2 → C 2 H 3 + + H

  16. Differential cross sections for electron-impact vibrational-excitation of tetrahydrofuran at intermediate impact energies

    Energy Technology Data Exchange (ETDEWEB)

    Do, T. P. T. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    We report differential cross sections (DCSs) for electron-impact vibrational-excitation of tetrahydrofuran, at intermediate incident electron energies (15-50 eV) and over the 10°-90° scattered electron angular range. These measurements extend the available DCS data for vibrational excitation for this species, which have previously been obtained at lower incident electron energies (≤20 eV). Where possible, our data are compared to the earlier measurements in the overlapping energy ranges. Here, quite good agreement was generally observed where the measurements overlapped.

  17. The EDDA experiment: proton-proton elastic scattering excitation functions at intermediate energies

    International Nuclear Information System (INIS)

    Hinterberher, F.

    1996-01-01

    The EDDA experiment is designed to provide a high precision measurement of proton-proton elastic scattering excitation functions ranging from 0.5 to 2.5 GeV of (lab) incident kinetic energy. It is an internal target experiment utilizing the proton beam of the cooler synchrotron COSY operated by KFA Juelich. The excitation functions are measured during the acceleration ramp of COSY. (author)

  18. Probing shape coexistence in neutron-deficient $^{72}$Se via low-energy Coulomb excitation

    CERN Multimedia

    We propose to study the evolution of nuclear structure in neutron-­deficient $^{72}$Se by performing a low-­energy Coulomb excitation measurement. Matrix elements will be determined for low-­lying excited states allowing for a full comparison with theoretical predictions. Furthermore, the intrinsic shape of the ground state, and the second 0$^{+}$ state, will be investigated using the quadrupole sum rules method.

  19. σ-SCF: A direct energy-targeting method to mean-field excited states

    Science.gov (United States)

    Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D.; Van Voorhis, Troy

    2017-12-01

    The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry—a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states—ground or excited—are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

  20. Generating Excitement: Build Your Own Generator to Study the Transfer of Energy

    Science.gov (United States)

    Fletcher, Kurt; Rommel-Esham, Katie; Farthing, Dori; Sheldon, Amy

    2011-01-01

    The transfer of energy from one form to another can be difficult to understand. The electrical energy that turns on a lamp may come from the burning of coal, water falling at a hydroelectric plant, nuclear reactions, or gusts of wind caused by the uneven heating of the Earth. The authors have developed and tested an exciting hands-on activity to…

  1. Optical energy transport and interactions between the excitations in a coumarin-perylene bisimide dendrimer

    NARCIS (Netherlands)

    Augulis, Ramunas; Pugzlys, Audrius; Hurenkamp, Johannes; Feringa, Ben L.; van Esch, Jan H.; van Loosdrecht, Paul H. M.

    2007-01-01

    Energy transfer properties of novel coumarin-perylene bisimide dendrimer are studied by means of steady state and time-resolved UV/vis spectroscopy. At low donor excitation density fast (transfer rate similar to 10 ps(-1)) and efficient (quantum yield similar to 99.5%) donor-acceptor energy transfer

  2. Excitation and dissociation of molecules by low-energy (0-15 eV) electrons

    International Nuclear Information System (INIS)

    Verhaart, G.J.

    1980-01-01

    The author deals with excitation and dissociation processes which result from the interaction between low-energy (0.15 eV) electrons and molecules. Low-energy electron-impact spectroscopy is used to gain a better knowledge of the electronic structure of halomethanes, ethylene and some of its halogen substituted derivatives, and some more complex organic molecules. (Auth.)

  3. Excitation energy transfer from dye molecules to doped graphene

    Indian Academy of Sciences (India)

    Recently, we have reported theoretical studies on the rate of energy transfer ... Dirac cone approximation and hence our conclusions are of qualitative nature. 2. .... make another change of variable to r given by r = ki q/2 to get. G1 (q) = Aq2.

  4. Range-separated density-functional theory for molecular excitation energies

    International Nuclear Information System (INIS)

    Rebolini, E.

    2014-01-01

    Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green's function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations. (author)

  5. Excitation functions for some evaporation residues identified in the interaction of 20Ne and 93Nb at moderate excitation energies

    International Nuclear Information System (INIS)

    Agarwal, Avinash; Rizvi, I.A.; Gupta, Meenal; Ahamad, Tauseef; Ghugre, S.S.; Sinha, A.K.; Chaubey, A.K.

    2008-01-01

    With the motivation of studying the complete and incomplete fusion reactions, excitation functions for the reactions 93 Nb(Ne, p2n) 110 Sn, 93 Nb(Ne, 2pn) 110 In, 93 Nb(Ne, 2p2n) 109 In, 93 Nb(Ne, αn) 108 In, 93 Nb(Neα2n) 107 In and 93 Nb(Ne, α p n) 107 Cd have been measured at the incident energy ranging from 91.4 MeV - 145 MeV. The well established activation technique followed by off line high purity gamma- ray spectroscopy was employed. The measured excitation functions were compared with the statistical model calculations by using the codes ALICE-91 and Pace-4. The effect of variation of different parameters including level density parameter involved in these codes has also been studied. Excellent agreement was found between theoretical and experimental values in some of the fusion evaporation reaction channels. However, significant enhancement of cross-section observed in α-emission channels may be due to incomplete fusion process. (author)

  6. Coherent excitation-energy transfer and quantum entanglement in a dimer

    International Nuclear Information System (INIS)

    Liao Jieqiao; Sun, C. P.; Huang Jinfeng; Kuang Leman

    2010-01-01

    We study coherent energy transfer of a single excitation and quantum entanglement in a dimer, which consists of a donor and an acceptor modeled by two two-level systems. Between the donor and the acceptor, there exists a dipole-dipole interaction, which provides the physical mechanism for coherent energy transfer and entanglement generation. The donor and the acceptor couple to two independent heat baths with diagonal couplings that do not dissipate the energy of the noncoupling dimer. Special attention is paid to the effect on single-excitation energy transfer and entanglement generation of the energy detuning between the donor and the acceptor and the temperatures of the two heat baths. It is found that, the probability for single-excitation energy transfer largely depends on the energy detuning in the low temperature limit. Concretely, the positive and negative energy detunings can increase and decrease the probability at steady state, respectively. In the high temperature limit, however, the effect of the energy detuning on the probability is negligibly small. We also find that the probability is negligibly dependent on the bath temperature difference of the two heat baths. In addition, it is found that quantum entanglement can be generated in the process of coherent energy transfer. As the bath temperature increases, the generated steady-state entanglement decreases. For a given bath temperature, the steady-state entanglement decreases with the increase of the absolute value of the energy detuning.

  7. Total energy consumption in Finland increased by one percent

    International Nuclear Information System (INIS)

    Timonen, L.

    2000-01-01

    The total energy consumption in Finland increased by less than a percent in 1999. The total energy consumption in 1999 was 1310 PJ corresponding to about 31 million toe. The electric power consumption increased moderately by 1.6%, which is less than the growth of the gross national product (3.5%). The final consumption of energy grew even less, only by 0.5%. Import of electric power increased by 19% in 1999. The import of electric power was due to the availability of low-priced electric power on the Nordic electricity markets. Nuclear power generation increased by 5% and the consumption of wood-based fuels by 3%. The increment of the nuclear power generation increased because of the increased output capacity and good operability of the power plants. Wind power production doubles, but the share of it in the total energy consumption is only about 0.01%. The peat consumption decreased by 12% and the consumption of hydroelectric power by 15%. The decrease in production of hydroelectric power was compensated by an increase import of electric power. The consumption of fossil fuels, coal, oil and natural gas remained nearly the same as in 1998. The gasoline consumption, however, decreased, but the consumption of diesel oil increased due to the increased road transport. The share of the fossil fuels was nearly half of the total energy consumption. The consumption of renewable energy sources remained nearly the same, in 23% if the share of peat is excluded, and in 30% if the share of peat is included. Wood-based fuels are the most significant type of renewable fuels. The share of them in 1999 was over 80% of the total usage of the renewable energy sources. The carbon dioxide emissions in Finland decreased in 1999 by 1.0 million tons. The total carbon dioxide emissions were 56 million tons. The decrease was mainly due to the decrease of the peat consumption. The final consumption of energy increased by 0.5%, being hence about 1019 PJ. Industry is the main consumer of energy

  8. Energy consumption and total factor productivity growth in Iranian agriculture

    Directory of Open Access Journals (Sweden)

    Reza Moghaddasi

    2016-11-01

    Full Text Available In this study we investigated the relation between energy consumption and growth of total factor productivity (TFP of agriculture in Iran from 1974 to 2012 using Solow residual method. The results from estimated aggregate Cobb–Douglas production function showed that one percent change in the value of labor, capital and energy will lead to 4.07, 0.09 and 0.49 percent change in agriculture value added, respectively. Also in a long term, based on the Johansen cointegration test, there is a negative relation between TFP growth and energy consumption in Iranian agriculture which might be due to cheap and inefficient energy use in this sector. Gradual liberalization of energy price and use of so called green box support policies is recommended.

  9. Fusion-fission of superheavy nuclei at low excitation energies

    International Nuclear Information System (INIS)

    Itkis, M.G.; Oganesyan, Yu.Ts.; Kozulin, E.M.

    2000-01-01

    The process of fusion-fission of superheavy nuclei with Z = 102 -122 formed in the reactions with 22 Ne, 26 Mg, 48 Ca, 58 Fe and 86 Kr ions at energies near and below the Coulomb barrier has been studied. The experiments were carried out at the U-400 accelerator of the Flerov Laboratory of Nuclear Reactions (JINR) using a time-of-flight spectrometer of fission fragments CORSET and a neutron multi-detector DEMON. As a result of the experiments, mass and energy distributions of fission fragments, fission and quasi-fission cross sections, multiplicities of neutrons and gamma-rays and their dependence on the mechanism of formation and decay of compound superheavy systems have been studied

  10. Comparison of sensitivities and detection limits between direct excitation and secondary excitation modes in energy dispersive x-ray fluorescence analysis

    International Nuclear Information System (INIS)

    Artz, B.E.; Short, M.A.

    1976-01-01

    A comparison was made between the direct tube excitation mode and the secondary target excitation mode using a Kevex 0810 energy dispersive x-ray fluorescence system. Relative sensitivities and detection limits were determined with two system configurations. The first configuration used a standard, high power, x-ray fluorescence tube to directly excite the specimen. Several x-ray tubes, including chromium, molybdenum, and tungsten, both filtered and not filtered, were employed. The second configuration consisted of using the x-ray tube to excite a secondary target which in turn excited the specimen. Appropriate targets were compared to the direct excitation results. Relative sensitivities and detection limits were determined for K-series lines for elements from magnesium to barium contained in a low atomic number matrix and in a high atomic number matrix

  11. A multisite interaction expansion of the total energy in metals

    International Nuclear Information System (INIS)

    Sowa, E.C.; Gonis, A.

    1994-01-01

    The local-density approximation provides a proper setting for the decomposition of total energy into many-body (many-atom) contributions. Multiple scattering theory in turn provides a convenient framework for carrying out this process. We illustrate this concept with calculations on a linear chain of atoms in bulk copper

  12. Nonlinear dynamic analysis of cantilevered piezoelectric energy harvesters under simultaneous parametric and external excitations

    Science.gov (United States)

    Fang, Fei; Xia, Guanghui; Wang, Jianguo

    2018-02-01

    The nonlinear dynamics of cantilevered piezoelectric beams is investigated under simultaneous parametric and external excitations. The beam is composed of a substrate and two piezoelectric layers and assumed as an Euler-Bernoulli model with inextensible deformation. A nonlinear distributed parameter model of cantilevered piezoelectric energy harvesters is proposed using the generalized Hamilton's principle. The proposed model includes geometric and inertia nonlinearity, but neglects the material nonlinearity. Using the Galerkin decomposition method and harmonic balance method, analytical expressions of the frequency-response curves are presented when the first bending mode of the beam plays a dominant role. Using these expressions, we investigate the effects of the damping, load resistance, electromechanical coupling, and excitation amplitude on the frequency-response curves. We also study the difference between the nonlinear lumped-parameter and distributed-parameter model for predicting the performance of the energy harvesting system. Only in the case of parametric excitation, we demonstrate that the energy harvesting system has an initiation excitation threshold below which no energy can be harvested. We also illustrate that the damping and load resistance affect the initiation excitation threshold.

  13. JANUS - A setup for low-energy Coulomb excitation at ReA3

    Science.gov (United States)

    Lunderberg, E.; Belarge, J.; Bender, P. C.; Bucher, B.; Cline, D.; Elman, B.; Gade, A.; Liddick, S. N.; Longfellow, B.; Prokop, C.; Weisshaar, D.; Wu, C. Y.

    2018-03-01

    A new experimental setup for low-energy Coulomb excitation experiments was constructed in a collaboration between the National Superconducting Cyclotron Laboratory (NSCL), Lawrence Livermore National Laboratory (LLNL), and the University of Rochester and was commissioned at the general purpose beam line of NSCL's ReA3 reaccelerator facility. The so-called JANUS setup combines γ-ray detection with the Segmented Ge Array (SeGA) and scattered particle detection using a pair of segmented double-sided Si detectors (Bambino 2). The low-energy Coulomb excitation program that JANUS enables will complement intermediate-energy Coulomb excitation studies that have long been performed at NSCL by providing access to observables that quantify collectivity beyond the first excited state, including the sign and magnitude of excited-state quadrupole moments. In this work, the setup and its performance will be described based on the commissioning run that used stable 78Kr impinging onto a 1.09 mg/cm2208Pb target at a beam energy of 3.9 MeV/u.

  14. Relativistic Energy Density Functionals: Exotic modes of excitation

    International Nuclear Information System (INIS)

    Vretenar, D.; Paar, N.; Marketin, T.

    2008-01-01

    The framework of relativistic energy density functionals has been applied to the description of a variety of nuclear structure phenomena, not only in spherical and deformed nuclei along the valley of β-stability, but also in exotic systems with extreme isospin values and close to the particle drip-lines. Dynamical aspects of exotic nuclear structure have been investigated with the relativistic quasiparticle random-phase approximation. We present results for the evolution of low-lying dipole (pygmy) strength in neutron-rich nuclei, and charged-current neutrino-nucleus cross sections.

  15. Ecological total-factor energy efficiency of regions in China

    International Nuclear Information System (INIS)

    Li Lanbing; Hu Jinli

    2012-01-01

    Most existing energy efficiency indices are computed without taking into account undesirable outputs such as CO 2 and SO 2 emissions. This paper computes the ecological total-factor energy efficiency (ETFEE) of 30 regions in China for the period 2005–2009 through the slack-based model (SBM) with undesirable outputs. We calculate the ETFEE index by comparing the target energy input obtained from SBM with undesirable outputs to the actual energy input. Findings show that China's regional ETFEE still remains a low level of around 0.600 and regional energy efficiency is overestimated by more than 0.100 when not looking at environmental impacts. China's regional energy efficiency is extremely unbalanced: the east area ranks first with the highest ETFEE of above 0.700, the northeast and central areas follow, and the west area has the lowest ETFEE of less than 0.500. A monotone increasing relation exists between the area's ETFEE and China's per capita GDP. The truncated regression model shows that the ratio of R and D expenditure to GDP and the degree of foreign dependence have positive impacts, whereas the ratio of the secondary industry to GDP and the ratio of government subsidies for industrial pollution treatment to GDP have negative effects, on the ETFEE. - Highlights: ► Most energy efficiency indices ignore undesirable outputs such as CO 2 and SO 2 emissions. ► The ecological total-factor energy efficiency (ETFEE) is computed by slack-based model (SBM). ► The datasets contains 30 regions in China for the period 2005–2009. ► China's regional energy efficiency is extremely unbalanced. ► A monotone increasing relation exists between ETFEE and per capita GDP.

  16. Selective excitation, relaxation, and energy channeling in molecular systems

    International Nuclear Information System (INIS)

    Rhodes, W.C.

    1993-08-01

    Research involves theoretical studies of response, relaxation, and correlated motion in time-dependent behavior of large molecular systems ranging from polyatomic molecules to protein molecules in their natural environment. Underlying theme is subsystem modulation dynamics. Main idea is that quantum mechanical correlations between components of a system develop with time, playing a major role in determining the balance between coherent and dissipative forces. Central theme is interplay of coherence and dissipation in determining the nature of dynamic structuring and energy flow in molecular transformation mechanisms. Subsystem equations of motion are being developed to show how nonlinear, dissipative dynamics of a particular subsystem arise from correlated interactions with the rest of the system (substituent groups, solvent, lattice modes, etc.); one consequence is resonance structures and networks. Quantum dynamics and thermodynamics are being applied to understand control and energy transfer mechanisms in biological functions of protein molecules; these mechanisms are both global and local. Besides the above theory, the research deals with phenomenological aspects of molecular systems

  17. An experimentally validated bimorph cantilever model for piezoelectric energy harvesting from base excitations

    International Nuclear Information System (INIS)

    Erturk, A; Inman, D J

    2009-01-01

    Piezoelectric transduction has received great attention for vibration-to-electric energy conversion over the last five years. A typical piezoelectric energy harvester is a unimorph or a bimorph cantilever located on a vibrating host structure, to generate electrical energy from base excitations. Several authors have investigated modeling of cantilevered piezoelectric energy harvesters under base excitation. The existing mathematical modeling approaches range from elementary single-degree-of-freedom models to approximate distributed parameter solutions in the sense of Rayleigh–Ritz discretization as well as analytical solution attempts with certain simplifications. Recently, the authors have presented the closed-form analytical solution for a unimorph cantilever under base excitation based on the Euler–Bernoulli beam assumptions. In this paper, the analytical solution is applied to bimorph cantilever configurations with series and parallel connections of piezoceramic layers. The base excitation is assumed to be translation in the transverse direction with a superimposed small rotation. The closed-form steady state response expressions are obtained for harmonic excitations at arbitrary frequencies, which are then reduced to simple but accurate single-mode expressions for modal excitations. The electromechanical frequency response functions (FRFs) that relate the voltage output and vibration response to translational and rotational base accelerations are identified from the multi-mode and single-mode solutions. Experimental validation of the single-mode coupled voltage output and vibration response expressions is presented for a bimorph cantilever with a tip mass. It is observed that the closed-form single-mode FRFs obtained from the analytical solution can successfully predict the coupled system dynamics for a wide range of electrical load resistance. The performance of the bimorph device is analyzed extensively for the short circuit and open circuit resonance

  18. Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

    Science.gov (United States)

    Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

    2018-04-05

    The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

  19. Is There Excitation Energy Transfer between Different Layers of Stacked Photosystem-II-Containing Thylakoid Membranes?

    Science.gov (United States)

    Farooq, Shazia; Chmeliov, Jevgenij; Trinkunas, Gediminas; Valkunas, Leonas; van Amerongen, Herbert

    2016-04-07

    We have compared picosecond fluorescence decay kinetics for stacked and unstacked photosystem II membranes in order to evaluate the efficiency of excitation energy transfer between the neighboring layers. The measured kinetics were analyzed in terms of a recently developed fluctuating antenna model that provides information about the dimensionality of the studied system. Independently of the stacking state, all preparations exhibited virtually the same value of the apparent dimensionality, d = 1.6. Thus, we conclude that membrane stacking does not affect the efficiency of the delivery of excitation energy toward the reaction centers but ensures a more compact organization of the thylakoid membranes within the chloroplast and separation of photosystems I and II.

  20. Hysteretic Energy Demand in SDOF Structures Subjected to an Earthquake Excitation: Analytical and Empirical Results

    OpenAIRE

    Taner UÇAR; Onur MERTER

    2018-01-01

    In energy-based seismic design approach, earthquake ground motion is considered as an energy input to structures. The earthquake input energy is the total of energy components such as kinetic energy, damping energy, elastic strain energy and hysteretic energy, which contributes the most to structural damage. In literature, there are many empirical formulas based on the hysteretic model, damping ratio and ductility in order to estimate hysteretic energy, whereas they do not directly consider t...

  1. Phase change thermal storage for a solar total energy system

    Science.gov (United States)

    Rice, R. E.; Cohen, B. M.

    1978-01-01

    An analytical and experimental program is being conducted on a one-tenth scale model of a high-temperature (584 K) phase-change thermal energy storage system for installation in a solar total energy test facility at Albuquerque, New Mexico, U.S.A. The thermal storage medium is anhydrous sodium hydroxide with 8% sodium nitrate. The program will produce data on the dynamic response of the system to repeated cycles of charging and discharging simulating those of the test facility. Data will be correlated with a mathematical model which will then be used in the design of the full-scale system.

  2. Intermolecular Modes between LH2 Bacteriochlorophylls and Protein Residues: The Effect on the Excitation Energies.

    Science.gov (United States)

    Anda, André; De Vico, Luca; Hansen, Thorsten

    2017-06-08

    Light-harvesting system 2 (LH2) executes the primary processes of photosynthesis in purple bacteria; photon absorption, and energy transportation to the reaction center. A detailed mechanistic insight into these operations is obscured by the complexity of the light-harvesting systems, particularly by the chromophore-environment interaction. In this work, we focus on the effects of the protein residues that are ligated to the bacteriochlorophylls (BChls) and construct potential energy surfaces of the ground and first optically excited state for the various BChl-residue systems where we in each case consider two degrees of freedom in the intermolecular region. We find that the excitation energies are only slightly affected by the considered modes. In addition, we see that axial ligands and hydrogen-bonded residues have opposite effects on both excitation energies and oscillator strengths by comparing to the isolated BChls. Our results indicate that only a small part of the chromophore-environment interaction can be associated with the intermolecular region between a BChl and an adjacent residue, but that it may be possible to selectively raise or lower the excitation energy at the axial and planar residue positions, respectively.

  3. Excitation-energy-dependent resonances in x-ray emissions under near-threshold electron excitation of the Ce 3d and 4d levels

    International Nuclear Information System (INIS)

    Chamberlain, M.B.; Baun, W.L.

    1975-01-01

    Soft x-ray appearance potential spectra of the 3d and 4d levels of polycrystalline cerium metal are reported in this paper. Resonant x-ray emissions are observed when the electron-excitation energy sweeps through the ionization energies of the 3d and 4d levels. The resonant x rays excited at the 3d-level onsets are considerably more intense, and are excited at a lower electron-excitation energy than the 3d-series characteristic x rays. In the neighborhood of the 4d-electron thresholds, four line-like structures extend to approx.8 eV below the 4d-electron binding energies, while two broad and more intense structures occur above the 4d onsets, with the largest one reaching a peak intensity at 12 eV above the 4d thresholds. The resonant emissions apparently arise from the decay of threshold-excited states which are bound to the inner vacancy and have core configurations nd 9 4f 3 , (n=3,4). The exchange interaction between the three 4f electrons and the respective d-orbital vacancy spreads the 4d-threshold structures over a 20 eV range of excitation energies and the 3d-threshold structures over a much smaller range

  4. Excitation of the 4.3-μm bands of CO2 by low-energy electrons

    International Nuclear Information System (INIS)

    Bulos, R.R.; Phelps, A.V.

    1976-01-01

    Rate coefficients for the excitation of the 4.3-μm bands of CO 2 by low-energy electrons in CO 2 have been measured using a drift-tube technique. The CO 2 density [(1.5 to 7) x 10 17 molecules/cm 3 ] was chosen to maximize the radiation reaching the detector. Line-by-line transmission calculations were used to take into account the absorption of 4.3-μm radiation. A small fraction of the approximately 10 -8 W of the 4.3-μm radiation produced by the approximately 10 -7 -A electron current was incident on an InSb photovoltaic detector. The detector calibration and absorption calculations were checked by measuring the readily calculated excitation coefficients for vibrational excitation of N 2 containing a small concentration of CO 2 . For pure CO 2 the number of molecules capable of emitting 4.3-μm radiation produced per cm of electron drift and per CO 2 molecule varied from 10 -17 cm -2 at E/N = 6 x 10 -17 V cm 2 to 5.4 x 10 -16 cm -2 at E/N = 4 x 10 -16 V cm 2 . Here E is the electric field and N is total gas density. The excitation coefficients at lower E/N are much larger than estimated previously. A set of vibrational excitation cross sections is obtained for CO 2 which is consistent with the excitation coefficient data and with most of the published electron-beam data

  5. Total Reaction Cross Section of Silicon Induced by ^{4}He in the Energy Range 3-10 MeV/u

    CERN Document Server

    Ugryumov, V Yu; Basybekov, K B; Bialkowski, E; Budzanowski, A; Duysebaev, A D; Duysebaev, B A; Zholdybaev, T K; Ismailov, K M; Kadyrzhanov, K K; Kalpakchieva, R; Kugler, A; Kukhtina, I N; Kushniruk, V F; Kuterbekov, K A; Mukhambetzhan, A; Penionzhkevich, Yu E; Sadykov, B M; Skwirczynska, I; Sobolev, Yu G

    2003-01-01

    The energy dependence of total reaction cross section for alpha-particles on ^{nat}Si has been directly and accurately measured by the transmission method. These data show that sigma_R has different energy dependence from theoretical predictions at low energies. The sigma_R corrections due to inelastic scattering to the first excited state were made by integrating corresponding angular distributions.

  6. Total reaction cross section of silicon induced by 4He in the energy range 3-10 MeV/u

    International Nuclear Information System (INIS)

    Ugryumov, V.Yu.; Kuznetsov, I.V.; Kalpakchieva, R.

    2003-01-01

    The energy dependence of total reaction cross section for α-particles on nat Si has been directly and accurately measured by the transmission method. These data show that σ R has different energy dependence from theoretical predictions at low energies. The σ R corrections due to inelastic scattering to the first excited state were made by integrating corresponding angular distributions

  7. Energy conservation attenuates the loss of skeletal muscle excitability during intense contractions

    DEFF Research Database (Denmark)

    Macdonald, W A; Ørtenblad, N; Nielsen, Ole Bækgaard

    2007-01-01

    High-frequency stimulation of skeletal muscle has long been associated with ionic perturbations, resulting in the loss of membrane excitability, which may prevent action potential propagation and result in skeletal muscle fatigue. Associated with intense skeletal muscle contractions are large...... with control muscles, the resting metabolites ATP, phosphocreatine, creatine, and lactate, as well as the resting muscle excitability as measured by M-waves, were unaffected by treatment with BTS plus dantrolene. Following 20 or 30 s of continuous 60-Hz stimulation, BTS-plus-dantrolene-treated muscles showed...... changes in muscle metabolites. However, the role of metabolites in the loss of muscle excitability is not clear. The metabolic state of isolated rat extensor digitorum longus muscles at 30 degrees C was manipulated by decreasing energy expenditure and thereby allowed investigation of the effects of energy...

  8. Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP

    Science.gov (United States)

    Masters, T. A.; Robinson, N. A.; Marsh, R. J.; Blacker, T. S.; Armoogum, D. A.; Larijani, B.; Bain, A. J.

    2018-04-01

    Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment ⟨α40 ⟩ present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of ⟨α40 ⟩ to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both ⟨α20 ⟩ (quadrupolar) and ⟨α40 ⟩ transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

  9. Total Corporate social responsibility report 2004. Sharing our energy

    International Nuclear Information System (INIS)

    2005-05-01

    This document presents the social and environmental activities of the group Total for the year 2004. It provides information on the ethical aspects of the governance, the industrial security, the environmental policy, the public health and the occupational safety, the social liability and the economical and social impact of the group activities in the local development, the contribution to the climatic change fight and the development of other energy sources. (A.L.B.)

  10. Elastic scattering and total cross section at very high energies

    International Nuclear Information System (INIS)

    Castaldi, R.; Sanguinetti, G.

    1985-01-01

    The aim of this review is to summarize the recent progress in the field of elastic scattering and total cross section in this new energy domain. In Section 2 a survey of the experimental situation is outlined. The most significant data are presented, with emphasis on the interpretation, not the specific details or technicalities. This section is therefore intended to give a self-contained look at the field, especially for the nonspecialist. In Section 3, hadron scattering at high energy is described in an impact parameter picture, which provides a model-independent intuitive geometrical representation. The diffractive character of elastic scattering, seen as the shadow of inelastic absorption, is presented as a consequence of unitarity in the s-channel. Spins are neglected throughout this review, inasmuch as the asymptotic behavior in the very high-energy limit is the main concern here. In Section 4 some relevant theorems are recalled on the limiting behavior of hadron-scattering amplitudes at infinite energy. There is also a brief discussion on how asymptotically rising total cross sections imply scaling properties in the elastic differential cross sections. A quick survey of eikonal models is presented and their predictions are compared with ISR and SPS Collider data

  11. Estimation of excitation forces for wave energy converters control using pressure measurements

    Science.gov (United States)

    Abdelkhalik, O.; Zou, S.; Robinett, R.; Bacelli, G.; Wilson, D.

    2017-08-01

    Most control algorithms of wave energy converters require prediction of wave elevation or excitation force for a short future horizon, to compute the control in an optimal sense. This paper presents an approach that requires the estimation of the excitation force and its derivatives at present time with no need for prediction. An extended Kalman filter is implemented to estimate the excitation force. The measurements in this approach are selected to be the pressures at discrete points on the buoy surface, in addition to the buoy heave position. The pressures on the buoy surface are more directly related to the excitation force on the buoy as opposed to wave elevation in front of the buoy. These pressure measurements are also more accurate and easier to obtain. A singular arc control is implemented to compute the steady-state control using the estimated excitation force. The estimated excitation force is expressed in the Laplace domain and substituted in the control, before the latter is transformed to the time domain. Numerical simulations are presented for a Bretschneider wave case study.

  12. Radiative transport and collisional transfer of excitation energy in Cs vapors mixed with Ar or He

    International Nuclear Information System (INIS)

    Vadla, Cedomil; Horvatic, Vlasta; Niemax, Kay

    2003-01-01

    This paper is a review (with a few original additions) on the radiative transport and collisional transfer of energy in laser-excited cesium vapors in the presence of argon or helium. Narrow-band excitation of lines with Lorentz, Doppler and Voigt profiles is studied in order to calculate effective rates for pumping of spectral lines with profiles comprising inhomogeneous broadening components. The radiative transport of excitation energy is considered, and a new, simple and robust, but accurate theoretical method for quantitative treatment of radiation trapping in relatively optically thin media is presented. Furthermore, comprehensive lists of experimental values for the excitation energy transfer cross-sections related to thermal collisions in Cs-Ar and Cs-He mixtures are given. Within the collected cross-section data sets, specific regularities with respect to the energy defect, as well as the temperature, are discerned. A particular emphasis is put on the radiative and collisional processes important for the optimization of resonance-fluorescence imaging atomic filters based on Cs-noble gas systems

  13. Two types of charge transfer excitations in low dimensional cuprates: an electron energy-loss study

    Czech Academy of Sciences Publication Activity Database

    Knupfer, M.; Fink, J.; Drechsler, S.-L.; Hayn, R.; Málek, Jiří; Moskvin, A.S.

    137-140, - (2004), s. 469-473 ISSN 0368-2048 Institutional research plan: CEZ:AV0Z1010914 Keywords : cuprates * electronic excitations * electron energy-loss spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.069, year: 2004

  14. Towards an unambiguous determination of the excitation energy of the projectile in heavy-ion reactions?

    Energy Technology Data Exchange (ETDEWEB)

    Buta, A.M.; Steckmeyer, J.C. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Auger, G. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France)] [and others

    2002-03-01

    The excitation energy of the quasi-projectiles produced in heavy-ion collisions is determined for the {sup 58}Ni+{sup 197}Au reactions at 52 and 90 AMeV. A new method is proposed for isolating unambiguously the particles evaporated by the source. It consists in observing them at small angles along the flight direction of the source. (authors)

  15. Elastic, excitation, ionization and charge transfer cross sections of current interest in fusion energy research

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, D.R.; Krstic, P.S. [Oak Ridge National Lab. TN (United States). Physics Div.

    1997-01-01

    Due to the present interest in modeling and diagnosing the edge and divertor plasma regions in magnetically confined fusion devices, we have sought to provide new calculations regarding the elastic, excitation, ionization, and charge transfer cross sections in collisions among relevant ions, neutrals, and isotopes in the low-to intermediate-energy regime. We summarize here some of our recent work. (author)

  16. Convergence of environment polarization effects in multiscale modeling of excitation energies

    DEFF Research Database (Denmark)

    Beerepoot, Maarten; Steindal, Arnfinn Hykkerud; Ruud, Kenneth

    2014-01-01

    We present a systematic investigation of the influence of polarization effects from a surrounding medium on the excitation energies of a chromophore. We use a combined molecular dynamics and polarizable embedding time-dependent density functional theory (PE-TD-DFT) approach for chromophores in pr...

  17. Inner-shell excitation in heavy ion collisions up to intermediate incident energies

    International Nuclear Information System (INIS)

    Reus, T. de.

    1987-04-01

    Electronic excitations in collisions of very heavy ions with a total nuclear charge Z greater than 1/α ≅ 137 at bombarding energies reaching from 3.6 MeV/n up to 100 MeV/n are the subject of this thesis. The dynamical behaviour of the electron-positron-field is described within a semiclassical model, which is reviewed and extended to include electronic interactions via a mean field. A detailed comparison with experimental data of K-vacancy formation, δ-electron and positron emission shows an improved agreement compared with former calculations. Structures in spectra of positrons emitted in sub- and supercritical collision are discussed in two respects: Firstly as a signal of the vacuum decay in supercritical electromagnetic fields which evolve in the vicinity of long living giant nuclear molecules. Secondly as an atomic effect, which might be related to an instaneous formation of molecular 1sσ- and 2p 1/2 σ- levels. However, beyond this speculation the emission spectra of electrons and positrons in deep inelastic reactions have proven to be a powerful tool for measuring nuclear reaction or delay times in the order of 10 -21 s. This property was transfered to the domain of intermediate energy collisions. In first order perturbation theory we derived a scaling law, exhibiting how nuclear stopping times could be extracted from the emission spectra of high energetic δ-electrons. Quantitative calculations within a coupled channel code have been carried out for the system Pb+Pb, yielding cross sections of up to 20 nb for the emission of electrons with a kinetic energy of 50 MeV in 60 MeV/n-collisions. (orig./HSI)

  18. Dissipation of the electronic excitation energy in fluorides with different type of a crystal lattice

    International Nuclear Information System (INIS)

    Lisitsyn, V.M.; Grechkina, T. V.; Korepanov, V.I.; Lisitsyna, L.A.

    2004-01-01

    F-centers is revealed. Therefore, in researched crystals any of types STE is not starting for creation of the F-centers. The expenditure energy for creation of STE at 20 K and the F-centers in the field of their primary creation (300 K) in crystals LiF and MeF 2 are comparable and equal 1.5-2 eV. It means that formation of both types of defects can be only result of decay created by radiation electronic excitation. Therefore, there are two basic channels of dissipation energy of high-energy electronic excitation, i.e. the creation of two-center type configuration of STEs in triplet state and creation Frenkel pairs defects. Occupation of channels occurs during an oscillatory relaxation of high-energy electronic excitation (a precursor state), instead of a process thermally activation conversion of one type of initial defect to another (from triplet STE to F, H pair). Thus total efficiency of generation of defects on channels remains practically to a constant in all the investigated temperature range 20-500 K. It is established, that the ratio between channels of energy dissipation of a precursor state depends on many parameters: temperatures of a crystal at an irradiation, type of crystal lattice, type and concentration both primary and created the defectiveness of a material during irradiation. Thus, creation of primary radiation defects of a lattice both in crystals LiF and MgF 2 , occurs during a relaxation electronic excitation. All set of experimental results are evidence of identical character of mechanisms of generation of primary defects in these crystals in wide temperature area, as well as similarity of structure and character of behavior of primary defects, specifying on the certain universality of the considered processes in ionic crystals

  19. Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations

    International Nuclear Information System (INIS)

    Peng, Degao; Yang, Yang; Zhang, Peng; Yang, Weitao

    2014-01-01

    In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N 4 ). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as 〈S ^2 〉 are also developed and tested

  20. Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Degao; Yang, Yang; Zhang, Peng [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Yang, Weitao, E-mail: weitao.yang@duke.edu [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)

    2014-12-07

    In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N{sup 4}). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as 〈S{sup ^2}〉 are also developed and tested.

  1. Energy-Looping Nanoparticles: Harnessing Excited-State Absorption for Deep-Tissue Imaging.

    Science.gov (United States)

    Levy, Elizabeth S; Tajon, Cheryl A; Bischof, Thomas S; Iafrati, Jillian; Fernandez-Bravo, Angel; Garfield, David J; Chamanzar, Maysamreza; Maharbiz, Michel M; Sohal, Vikaas S; Schuck, P James; Cohen, Bruce E; Chan, Emory M

    2016-09-27

    Near infrared (NIR) microscopy enables noninvasive imaging in tissue, particularly in the NIR-II spectral range (1000-1400 nm) where attenuation due to tissue scattering and absorption is minimized. Lanthanide-doped upconverting nanocrystals are promising deep-tissue imaging probes due to their photostable emission in the visible and NIR, but these materials are not efficiently excited at NIR-II wavelengths due to the dearth of lanthanide ground-state absorption transitions in this window. Here, we develop a class of lanthanide-doped imaging probes that harness an energy-looping mechanism that facilitates excitation at NIR-II wavelengths, such as 1064 nm, that are resonant with excited-state absorption transitions but not ground-state absorption. Using computational methods and combinatorial screening, we have identified Tm(3+)-doped NaYF4 nanoparticles as efficient looping systems that emit at 800 nm under continuous-wave excitation at 1064 nm. Using this benign excitation with standard confocal microscopy, energy-looping nanoparticles (ELNPs) are imaged in cultured mammalian cells and through brain tissue without autofluorescence. The 1 mm imaging depths and 2 μm feature sizes are comparable to those demonstrated by state-of-the-art multiphoton techniques, illustrating that ELNPs are a promising class of NIR probes for high-fidelity visualization in cells and tissue.

  2. Measurements of vibrational excitation of N2, CO, and NO by low energy proton impact

    International Nuclear Information System (INIS)

    Krutein, J.; Linder, F.

    1979-01-01

    Differential scattering experiments are reported for proton impact on N 2 , CO, and NO in the energy range E/sub lab/=30--80 eV. The measurements include the range of very small scattering angles around 0 0 as well as the rainbow region. The vibrationally resolved energy-loss spectra show a relatively low vibrational inelasticity for all three systems. Differential cross sections, transition probabilities, and the mean vibrational energy transfer are presented. Rotational excitation is indicated by the broadening of the energy-loss peaks which is most significant for H + --NO. The small-angle scattering data for vibrational excitation in CO show good agreement with the impact parameter theory using the known long-range interactions for this system

  3. Determination of minimum impact parameter by modified touching spheres schemes for intermediate energy Coulomb excitation experiments

    International Nuclear Information System (INIS)

    Kumar, Rajiv; Sharma, Shagun; Singh, Pradeep; Kharab, Rajesh

    2016-01-01

    The energy-independent touching spheres schemes commonly used for the determination of the safe minimum value of the impact parameter for Coulomb excitation experiments are modified through the inclusion of an energy-dependent term. The touching spheres+3fm scheme after modification emerges out to be the best one while touching spheres+4fm scheme is found to be better in its unmodified form. (orig.)

  4. Total-factor energy efficiency of regions in Japan

    International Nuclear Information System (INIS)

    Honma, Satoshi; Hu, Jin-Li

    2008-01-01

    This study computes the regional total-factor energy efficiency (TFEE) in Japan by employing the data envelopment analysis (DEA). A dataset of 47 prefectures in Japan for the period 1993-2003 is constructed. There are 14 inputs, including three production factors (labor employment, private, and public capital stocks) and 11 energy sources (electric power for commercial and industrial use, electric power for residential use, gasoline, kerosene, heavy oil, light oil, city gas, butane gas, propane gas, coal, and coke). GDP is the sole output. Following Fukao and Yue [2000. Regional factor inputs and convergence in Japan-how much can we apply closed economy neoclassical growth models? Economic Review 51, 136-151 (in Japanese)], data on private and public capital stocks are extended. All the nominal variables are transformed into real variables, taking into consideration the 1995 price level. For kerosene, gas oil, heavy oil, butane gas, coal, and coke, there are a few prefectures with TFEEs less than 0.7. The five most inefficient prefectures are Niigata, Wakayama, Hyogo, Chiba, and Yamaguchi. Inland regions and most regions along the Sea of Japan are efficient in energy use. Most of the inefficient prefectures that are developing mainly upon energy-intensive industries are located along the Pacific Belt Zone. A U-shaped relation similar to the environmental Kuznets curve (EKC) is discovered between energy efficiency and per capita income for the regions in Japan

  5. Total-factor energy efficiency of regions in Japan

    Energy Technology Data Exchange (ETDEWEB)

    Honma, Satoshi [Faculty of Economics, Kyushu Sangyo University, 2-3-1 Matsukadai, Higashi-ku, Fukuoka 813-8503 (Japan); Hu, Jin-Li [Institute of Business and Management, National Chiao Tung University (China)

    2008-02-15

    This study computes the regional total-factor energy efficiency (TFEE) in Japan by employing the data envelopment analysis (DEA). A dataset of 47 prefectures in Japan for the period 1993-2003 is constructed. There are 14 inputs, including three production factors (labor employment, private, and public capital stocks) and 11 energy sources (electric power for commercial and industrial use, electric power for residential use, gasoline, kerosene, heavy oil, light oil, city gas, butane gas, propane gas, coal, and coke). GDP is the sole output. Following Fukao and Yue [2000. Regional factor inputs and convergence in Japan - how much can we apply closed economy neoclassical growth models? Economic Review 51, 136-151 (in Japanese)], data on private and public capital stocks are extended. All the nominal variables are transformed into real variables, taking into consideration the 1995 price level. For kerosene, gas oil, heavy oil, butane gas, coal, and coke, there are a few prefectures with TFEEs less than 0.7. The five most inefficient prefectures are Niigata, Wakayama, Hyogo, Chiba, and Yamaguchi. Inland regions and most regions along the Sea of Japan are efficient in energy use. Most of the inefficient prefectures that are developing mainly upon energy-intensive industries are located along the Pacific Belt Zone. A U-shaped relation similar to the environmental Kuznets curve (EKC) is discovered between energy efficiency and per capita income for the regions in Japan. (author)

  6. Deviation from Boltzmann distribution in excited energy levels of singly-ionized iron in an argon glow discharge plasma for atomic emission spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki, E-mail: wagatuma@imr.tohoku.ac.jp

    2012-01-15

    A Boltzmann plot for many iron ionic lines having excitation energies of 4.7-9.1 eV was investigated in an argon glow discharge plasma when the discharge parameters, such as the voltage/current and the gas pressure, were varied. A Grimm-style radiation source was employed in a DC voltage range of 400-800 V at argon pressures of 400-930 Pa. The plot did not follow a linear relationship over a wide range of the excitation energy, but it yielded a normal Boltzmann distribution in the range of 4.7-5.8 eV and a large overpopulation in higher-lying excitation levels of iron ion. A probable reason for this phenomenon is that excitations for higher excited energy levels of iron ion would be predominantly caused by non-thermal collisions with argon species, the internal energy of which is received by iron atoms for the ionization. Particular intense ionic lines, which gave a maximum peak of the Boltzmann plot, were observed at an excitation energy of ca. 7.7 eV. They were the Fe II 257.297-nm and the Fe II 258.111-nm lines, derived from the 3d{sup 5}4s4p {sup 6}P excited levels. The 3d{sup 5}4s4p {sup 6}P excited levels can be highly populated through a resonance charge transfer from the ground state of argon ion, because of good matching in the excitation energy as well as the conservation of the total spin before and after the collision. An enhancement factor of the emission intensity for various Fe II lines could be obtained from a deviation from the normal Boltzmann plot, which comprised the emission lines of 4.7-5.8 eV. It would roughly correspond to a contribution of the charge transfer excitation to the excited levels of iron ion, suggesting that the charge-transfer collision could elevate the number density of the corresponding excited levels by a factor of ca.10{sup 4}. The Boltzmann plots give important information on the reason why a variety of iron ionic lines can be emitted from glow discharge plasmas.

  7. Preliminary results of total kinetic energy modelling for neutron-induced fission

    International Nuclear Information System (INIS)

    Visan, I.; Giubega, G.; Tudora, A.

    2015-01-01

    The total kinetic energy as a function of fission fragments mass TKE(A) is an important quantity entering in prompt emission calculations. The experimentally distributions of TKE(A) are referring to a limited number of fission systems and incident energies. In the present paper, a preliminary model for TKE calculation in neutron induced fission system is presented. The range of fission fragments is chosen as in the Point by Point treatment. The model needs as input only mass excesses and deformation parameters taken from available nuclear databases being based on the following approximations: total excitation energy of fully accelerated fission fragments TXE is calculated from energy balance of neutron-induced fission systems as sum of the total excitation energy at scission E*sciss and deformation energy Edef. The deformation energy at scission is given by minimizing the potential energy at the scission configuration. At the scission point, the fission system is described by two spheroidal fragments nearly touching by a pre-scission distance or neck caused by the nuclear forces between fragments. Therefore, the Columbian repulsion depending on neck and, consequently, on the fragments deformation at scission, is essentially in TKE determination. An approximation is made based on the fission modes. For the very symmetric fission, the dominant super long channel is characterized by long distance between fragments leading to low TKE values. Due to magic and double-magic shells closure, the dominant S1 fission mode for pairs with heavy fragment mass AH around 130-134 is characterized by spherical heavy fragment shape and easily deformed light fragment. The nearly spherical shape of the complementary fragments are characterized by minimum distance, and consequently to maximum TKE values. The results obtained for TKE(A) are in good agreement with existing experimental data for many neutron induced fission systems, e.g. ''2''3''3&apos

  8. Excitation energy partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

    International Nuclear Information System (INIS)

    Blocki, J.; Grotowski, K.; Planeta, R.

    1990-01-01

    The distribution of the excitation energy between both fragments in Heavy Ion Collision has been measured recently for the reaction 74 Ge + 165 Ho at 8.5 MeV/A. One can see from the experimental data a gradual transition from moreless equal partition of the heat for the peripheral collisions (small energy loss) toward equal temperatures in more central collisions (high energy loss). The similar dependence of the heat partition as a function of the energy loss was observed earlier by Vandenbosch et al for the reaction 56 Fe + 238 U at 8.5 MeV/A and by Benton et al for the 56 Fe + 165 Ho for a broad range of energy dissipation. Theoretical calculations leading to the excitation energy division between both fragments have been carried out by Randrup and by Feldmeier. In both calculations the same excitation mechanism was assumed which is the exchange of particles between colliding nuclei. Differences between results are mainly due to the different shape parametrization and calculation of the potential energy. Randrup's results are moving much faster towards equal temperatures limit if one goes to more central collisions. Both models however do not predict the direction of the experimental mass flow for the 56 Fe + 165 Ho system. In the present paper classical dynamical calculations following Feldmeir's approach with some modifications are presented for 74 Ge + 165 Ho system

  9. Total Corporate social responsibility report 2004. Sharing our energy; TOTAL rapport societal and environnemental 2004. Notre energie en partage

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-05-15

    This document presents the social and environmental activities of the group Total for the year 2004. It provides information on the ethical aspects of the governance, the industrial security, the environmental policy, the public health and the occupational safety, the social liability and the economical and social impact of the group activities in the local development, the contribution to the climatic change fight and the development of other energy sources. (A.L.B.)

  10. Multireference excitation energies for bacteriochlorophylls A within light harvesting system 2

    DEFF Research Database (Denmark)

    Anda, Andre; Hansen, Thorsten; De Vico, Luca

    2016-01-01

    Light-harvesting system 2 (LH2) of purple bacteria is one of the most popular antenna complexes used to study Nature's way of collecting and channeling solar energy. The dynamics of the absorbed energy is probed by ultrafast spectroscopy. Simulation of these experiments relies on fitting a range...... bacteriochlorophylls in LH2. We find that the excitation energies vary among the bacteriochlorophyll monomers and that they are regulated by the curvature of the macrocycle ring and the dihedral angle of an acetyl moiety. Increasing the curvature lifts the ground state energy, which causes a red shift...

  11. Excitation Energies of Superdeformed States in 196Pb: Towards a Systematic Study of the Second Well in Pb Isotopes

    International Nuclear Information System (INIS)

    Wilson, A.N.; Singh, A.K.; Huebel, H.; Rossbach, D.; Schonwasser, G.; Davidson, P.M.; Dracoulis, G.D.; Lane, G.J.; Goergen, A.; Korichi, A.; Hannachi, F.; Lopez-Martens, A.; Astier, A.; Azaiez, F.; Bourgeois, C.; Bazzacco, D.; Kroell, T.; Rossi-Alvarez, C.; Buforn, N.; Redon, N.

    2005-01-01

    The excitation energy of the lowest-energy superdeformed band in 196 Pb is established using the techniques of time-correlated γ-ray spectroscopy. Together with previous measurements on 192 Pb and 194 Pb, this result allows superdeformed excitation energies, binding energies, and two-proton and two-neutron separation energies to be studied systematically, providing stringent tests for current nuclear models. The results are examined for evidence of a 'superdeformed shell gap'

  12. A new recoil distance technique using low energy coulomb excitation in inverse kinematics

    Energy Technology Data Exchange (ETDEWEB)

    Rother, W., E-mail: wolfram.rother@googlemail.com [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Dewald, A.; Pascovici, G.; Fransen, C.; Friessner, G.; Hackstein, M. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Ilie, G. [Wright Nuclear Structure Laboratory, Yale University, New Haven, CT 06520 (United States); National Institute of Physics and Nuclear Engineering, P.O. Box MG-6, Bucharest-Magurele (Romania); Iwasaki, H. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Jolie, J. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Melon, B. [Dipartimento di Fisica, Universita di Firenze and INFN Sezione di Firenze, Sesto Fiorentino (Firenze) I-50019 (Italy); Petkov, P. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); INRNE-BAS, Sofia (Bulgaria); Pfeiffer, M. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Pissulla, Th. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Bundesumweltministerium, Robert-Schuman-Platz 3, D - 53175 Bonn (Germany); Zell, K.-O. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Jakobsson, U.; Julin, R.; Jones, P.; Ketelhut, S.; Nieminen, P.; Peura, P. [Department of Physics, University of Jyvaeskylae, P.O. Box 35, FI-40014 (Finland); and others

    2011-10-21

    We report on the first experiment combining the Recoil Distance Doppler Shift technique and multistep Coulomb excitation in inverse kinematics at beam energies of 3-10 A MeV. The setup involves a standard plunger device equipped with a degrader foil instead of the normally used stopper foil. An array of particle detectors is positioned at forward angles to detect target-like recoil nuclei which are used as a trigger to discriminate against excitations in the degrader foil. The method has been successfully applied to measure lifetimes in {sup 128}Xe and is suited to be a useful tool for experiments with radioactive ion beams.

  13. Energies and damping rates of elementary excitations in spin-1 Bose-Einstein-condensed gases

    International Nuclear Information System (INIS)

    Szirmai, Gergely; Szepfalusy, Peter; Kis-Szabo, Krisztian

    2003-01-01

    The finite temperature Green's function technique is used to calculate the energies and damping rates of the elementary excitations of homogeneous, dilute, spin-1 Bose gases below the Bose-Einstein condensation temperature in both the density and spin channels. For this purpose a self-consistent dynamical Hartree-Fock model is formulated, which takes into account the direct and exchange processes on equal footing by summing up certain classes of Feynman diagrams. The model is shown to satisfy the Goldstone theorem and to exhibit the hybridization of one-particle and collective excitations correctly. The results are applied to gases of 23 Na and 87 Rb atoms

  14. Spin-isospin excitations induced by heavy ions at Saturne energies

    International Nuclear Information System (INIS)

    Hennino, T.

    1989-01-01

    Our program on the Spin-Isospin excitations started with the ( 3 He, 3 H) and ( 2 H, 2 He) reactions was extended with the heavy ion beams available at Saturne ( 12 C, 16 0, 20 Ne and 40 Ar) to study systematically the Δ excitation energy region. Projectile-ejectile dependences were measured. The Δ peak shift appears as a common feature in all charge exchange reactions. The first cross section calculations for the ( 12 C, 12 N) reaction are in good quantitative agreement with the data [fr

  15. A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

    Science.gov (United States)

    Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

    2017-08-01

    We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

  16. The total flow concept for geothermal energy conversion

    Science.gov (United States)

    Austin, A. L.

    1974-01-01

    A geothermal development project has been initiated at the Lawrence Livermore Laboratory (LLL) to emphasize development of methods for recovery and conversion of the energy in geothermal deposits of hot brines. Temperatures of these waters vary from 150 C to more than 300 C with dissolved solids content ranging from less than 0.1% to over 25% by weight. Of particular interest are the deposits of high-temperature/high-salinity brines, as well as less saline brines, known to occur in the Salton Trough of California. Development of this resource will depend on resolution of the technical problems of brine handling, scale and precipitation control, and corrosion/erosion resistant systems for efficient conversion of thermal to electrical energy. Research experience to date has shown these problems to be severe. Hence, the LLL program emphasizes development of an entirely different approach called the Total Flow concept.

  17. Managing total corporate electricity/energy market risks

    International Nuclear Information System (INIS)

    Henney, A.; Keers, G.

    1998-01-01

    The banking industry has developed a tool kit of very useful value at risk techniques for hedging risk, but these techniques must be adapted to the special complexities of the electricity market. This paper starts with a short history of the use of value-at-risk (VAR) techniques in banking risk management and then examines the specific and, in many instances, complex risk management challenges faced by electric companies from the behavior of prices in electricity markets and from the character of generation and electric retailing risks. The third section describes the main methods for making VAR calculations along with an analysis of their suitability for analyzing the risks of electricity portfolios and the case for using profit at risk and downside risk as measures of risk. The final section draws the threads together and explains how to look at managing total corporate electricity market risk, which is a big step toward managing total corporate energy market risk

  18. Total, accessible and reserve wind energy resources in Bulgaria

    International Nuclear Information System (INIS)

    Ivanov, P.; Trifonova, L.

    1996-01-01

    The article is a part of the international project 'Bulgaria Country Study to Address Climate Change Inventory of the Greenhouse Gases Emission and Sinks Alternative Energy Balance and Technology Programs' sponsored by the Department of Energy, US. The 'total' average annual wind resources in Bulgaria determined on the basis wind velocity density for more than 100 meteorological stations are estimated on 125 000 TWh. For the whole territory the theoretical wind power potential is about 14200 GW. The 'accessible' wind resources are estimated on about 62000 TWh. The 'reserve' (or usable) wind resources are determined using 8 velocity intervals for WECS (Wind Energy Conversion Systems) operation, number and disposition of turbines, and the usable (3%) part of the territory. The annual reserve resources are estimated at about 21 - 33 TWh. The 'economically beneficial' wind resources (EBWR) are those part of the reserve resources which could be included in the country energy balance using specific technologies in specific time period. It is foreseen that at year 2010 the EBWR could reach 0.028 TWh. 7 refs., 2 tabs., 1 fig

  19. Raman active high energy excitations in URu{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Buhot, Jonathan [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); High Field Magnet Laboratory (HFML - EMFL), Institute for Molecules and Materials, Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands); Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); Piekarz, Przemysław [Institute of Nuclear Physics, Polish Academy of Sciences, 31-342 Krakòw (Poland); Lapertot, Gérard [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Aoki, Dai [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Méasson, Marie-Aude, E-mail: marie-aude.measson@univ-paris-diderot.fr [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France)

    2017-02-01

    We have performed Raman scattering measurements on URu{sub 2}Si{sub 2} single crystals on a large energy range up to ∼1300 cm{sup −1} and in all the Raman active symmetries as a function of temperature down to 15 K. A large excitation, active only in the E{sub g} symmetry, is reported. It has been assigned to a crystal electric field excitation on the Uranium site. We discuss how this constrains the crystal electric field scheme of the Uranium ions. Furthermore, three excitations in the A{sub 1g} symmetry are observed. They have been associated to double Raman phonon processes consistently with ab initio calculations of the phonons dispersion.

  20. Resonance capture reactions with a total energy detector

    International Nuclear Information System (INIS)

    Macklin, R.L.

    1978-01-01

    The determination of nuclear reaction rates is considered; the Moxon--Rae detector and pulse height weighting are reviewed. This method has been especially useful in measuring (n,γ) cross sections. Strength functions and level spacing can be derived from (n,γ) yields. The relevance of neutron capture data to astrophysical nucleosynthesis is pointed out. The total gamma energy detection method has been applied successfully to radiative neutron capture cross section measurements. A bibliography of most of the published papers reporting neutron capture cross sections measured by the pulse height weighting technique is included. 55 references

  1. About total kinetic energy distribution between fragments of binary fission

    International Nuclear Information System (INIS)

    Khugaev, A.V.; Koblik, Yu.N.; Pikul, V.P.; Ioannou, P.; Dimovasili, E.

    2002-01-01

    At the investigation of binary fission reactions one of the main characteristic of process is total kinetic energy (TKE) of fission fragments and it distribution between them. From the values of these characteristics it is possible to extract the information about structure of fission fragments in the break up point of initial fissionable nuclear system. In our work TKE dependence from the deformation parameters of shape and density distribution of charge in the fission fragments are investigated. In the end of paper some generalizations of obtaining results are carried out and presented in the form of tables and figures

  2. Intermediate-energy differential and integral cross sections for vibrational excitation in α-tetrahydrofurfuryl alcohol

    International Nuclear Information System (INIS)

    Duque, H. V.; Chiari, L.; Jones, D. B.; Pettifer, Z.; Silva, G. B. da; Limão-Vieira, P.; Blanco, F.; García, G.; White, R. D.; Lopes, M. C. A.; Brunger, M. J.

    2014-01-01

    Differential and integral cross section measurements, for incident electron energies in the 20–50 eV range, are reported for excitation of several composite vibrational modes in α-tetrahydrofurfuryl alcohol (THFA). Optimisation and frequency calculations, using GAUSSIAN 09 at the B3LYP/aug-cc-pVDZ level, were also undertaken for the two most abundant conformers of THFA, with results being reported for their respective mode classifications and excitation energies. Those calculations assisted us in the experimental assignments of the composite features observed in our measured energy loss spectra. There are, to the best of our knowledge, no other experimental or theoretical data currently available in the literature against which we can compare the present results

  3. Intermediate energy electron impact excitation of composite vibrational modes in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, C.P. 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil); Silva, G. B. da [Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

  4. Intermediate-energy differential and integral cross sections for vibrational excitation in α-tetrahydrofurfuryl alcohol

    Energy Technology Data Exchange (ETDEWEB)

    Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Chiari, L.; Jones, D. B.; Pettifer, Z. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Madrid E-28006 (Spain); White, R. D. [School of Engineering and Physical Sciences, James Cook University, Townsville, 4810 Queensland (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia)

    2014-06-07

    Differential and integral cross section measurements, for incident electron energies in the 20–50 eV range, are reported for excitation of several composite vibrational modes in α-tetrahydrofurfuryl alcohol (THFA). Optimisation and frequency calculations, using GAUSSIAN 09 at the B3LYP/aug-cc-pVDZ level, were also undertaken for the two most abundant conformers of THFA, with results being reported for their respective mode classifications and excitation energies. Those calculations assisted us in the experimental assignments of the composite features observed in our measured energy loss spectra. There are, to the best of our knowledge, no other experimental or theoretical data currently available in the literature against which we can compare the present results.

  5. Vibrational energy transfer in selectively excited diatomic molecules. [Relaxation rates, self-relaxation, upper limits

    Energy Technology Data Exchange (ETDEWEB)

    Dasch, C.J.

    1978-09-01

    Single rovibrational states of HCl(v=2), HBr(v=2), DCl(v=2), and CO(v=2) were excited with a pulsed optical parametric oscillator (OPO). Total vibrational relaxation rates near - resonance quenchers were measured at 295/sup 0/K using time resolved infrared fluorescence. These rates are attributed primarily to V - V energy transfer, and they generally conform to a simple energy gap law. A small deviation was found for the CO(v) + DCl(v') relaxation rates. Upper limits for the self relaxation by V - R,T of HCl(v=2) and HBr(v=2) and for the two quantum exchange between HCl and HBr were determined. The HF dimer was detected at 295/sup 0/K and 30 torr HF pressure with an optoacoustic spectrometer using the OPO. Pulsed and chopped, resonant and non-resonant spectrophones are analyzed in detail. From experiments and first order perturbation theory, these V - V exchange rates appear to behave as a first order perturbation in the vibrational coordinates. The rotational dynamics are known to be complicated however, and the coupled rotational - vibrational dynamics were investigated theoreticaly in infinite order by the Dillon and Stephenson and the first Magnus approximations. Large ..delta..J transitions appear to be important, but these calculations differ by orders of magnitude on specific rovibrational transition rates. Integration of the time dependent semiclassical equations by a modified Gordon method and a rotationally distorted wave approximation are discussed as methods which would treat the rotational motion more accurately. 225 references.

  6. Lattice Boltzmann simulation for the energy and entropy of excitable systems

    Institute of Scientific and Technical Information of China (English)

    Deng Min-Yi; Tang Guo-Ning; Kong Ling-Jiang; Liu Mu-Ren

    2011-01-01

    The internal energy and the spatiotemporal entropy of excitable systems are investigated with the lattice Boltzmann method. The numerical results show that the breakup of spiral wave is attributed to the inadequate supply of energy, i.e., the internal energy of system is smaller than the energy of self-sustained spiral wave. It is observed that the average internal energy of a regular wave state reduces with its spatiotemporal entropy decreasing. Interestingly, although the energy difference between two regular wave states is very small, the different states can be distinguished obviously due to the large difference between their spatiotemporal entropies. In addition, when the unstable spiral wave converts into the spatiotemporal chaos, the internal energy of system decreases, while the spatiotemporal entropy increases, which behaves as the thermodynamic entropy in an isolated system.

  7. In adolescence a higher 'eveningness in energy intake' is associated with higher total daily energy intake.

    Science.gov (United States)

    Diederichs, Tanja; Perrar, Ines; Roßbach, Sarah; Alexy, Ute; Buyken, Anette E

    2018-05-26

    The present manuscript addressed two hypotheses: (i) As children age, energy intake is shifted from morning (energy intake energy intake >6pm) (ii) A higher 'eveningness in energy intake' (i.e. evening minus morning energy intake) is associated with a higher total daily energy intake. Data were analyzed from 262 DONALD cohort study participants, who had completed at least one 3-day weighed dietary record in the age groups 3/4, 5/6, 7/8, 9/10, 11/12, 13/14, 15/16 and 17/18 years (y). 'Eveningness in energy intake' was compared across age groups and related to total daily energy intake for each age group (multiple cross-sectional analyses). 'Eveningness' increased progressively from age group 3/4y to age group 17/18y. A median surplus of evening energy intake (i.e. when evening intake exceeded morning intake) was firstly observed for age group 11/12y. From age group 11/12y onwards, a higher 'eveningness' was associated with a higher total daily energy intake (all p energy intake between the highest and the lowest tertile of 'eveningness' was largest for age group 17/18y, amounting to an 11% higher intake among adolescents in the highest as compared to those in the lowest tertile. In conclusion, energy intake progressively shifts from morning to evening hours as children age. Once evening energy intake exceeds morning energy intake, a higher 'eveningness in energy intake' is associated with higher total daily energy intake. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Performance of Popular XC-Functionals for the Description of Excitation Energies in GFP-Like Chromophore Models

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard; Rocha-Rinza, Tomás

    2012-01-01

    this task. We present an evaluation of the performance of commonly used XC-functionals for the prediction of excitation energies of GFP-like chromophores. In particular, we have considered the TD-DFT vertical excitation energies of chromophores displaying different charge states. We compare the quality...

  9. Superconducting qubit in a nonstationary transmission line cavity: Parametric excitation, periodic pumping, and energy dissipation

    Energy Technology Data Exchange (ETDEWEB)

    Zhukov, A.A. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); National Research Nuclear University (MEPhI), 115409 Moscow (Russian Federation); Shapiro, D.S., E-mail: shapiro.dima@gmail.com [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); V.A. Kotel' nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 125009 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700 (Russian Federation); National University of Science and Technology MISIS, 119049 Moscow (Russian Federation); Remizov, S.V. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); V.A. Kotel' nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 125009 Moscow (Russian Federation); Pogosov, W.V. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700 (Russian Federation); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Lozovik, Yu.E. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); National Research Nuclear University (MEPhI), 115409 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700 (Russian Federation); Institute of Spectroscopy, Russian Academy of Sciences, 142190 Moscow Region, Troitsk (Russian Federation)

    2017-02-12

    We consider a superconducting qubit coupled to the nonstationary transmission line cavity with modulated frequency taking into account energy dissipation. Previously, it was demonstrated that in the case of a single nonadiabatical modulation of a cavity frequency there are two channels of a two-level system excitation which are due to the absorption of Casimir photons and due to the counterrotating wave processes responsible for the dynamical Lamb effect. We show that the parametric periodical modulation of the resonator frequency can increase dramatically the excitation probability. Remarkably, counterrotating wave processes under such a modulation start to play an important role even in the resonant regime. Our predictions can be used to control qubit-resonator quantum states as well as to study experimentally different channels of a parametric qubit excitation. - Highlights: • Coupled qubit-resonator system under the modulation of a resonator frequency is considered. • Counterrotating terms of the Hamiltonian are of importance even in the resonance. • Qubit excited state population is highest if driving frequency matches dressed-state energy.

  10. Influence of the excited states on the electron-energy distribution function in low-pressure microwave argon plasmas

    International Nuclear Information System (INIS)

    Yanguas-Gil, A.; Cotrino, J.; Gonzalez-Elipe, A.R.

    2005-01-01

    In this work the influence of the excited states on the electron-energy distribution function has been determined for an argon microwave discharge at low pressure. A collisional-radiative model of argon has been developed taking into account the most recent experimental and theoretical values of argon-electron-impact excitation cross sections. The model has been solved along with the electron Boltzmann equation in order to study the influence of the inelastic collisions from the argon excited states on the electron-energy distribution function. Results show that under certain conditions the excited states can play an important role in determining the shape of the distribution function and the mean kinetic energy of the electrons, deplecting the high-energy tail due to inelastic processes from the excited states, especially from the 4s excited configuration. It has been found that from the populations of the excited states an excitation temperature can be defined. This excitation temperature, which can be experimentally determined by optical emission spectroscopy, is lower than the electron kinetic temperature obtained from the electron-energy distribution function

  11. Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows.

    Science.gov (United States)

    Munafò, A; Panesi, M; Magin, T E

    2014-02-01

    A Boltzmann rovibrational collisional coarse-grained model is proposed to reduce a detailed kinetic mechanism database developed at NASA Ames Research Center for internal energy transfer and dissociation in N(2)-N interactions. The coarse-grained model is constructed by lumping the rovibrational energy levels of the N(2) molecule into energy bins. The population of the levels within each bin is assumed to follow a Boltzmann distribution at the local translational temperature. Excitation and dissociation rate coefficients for the energy bins are obtained by averaging the elementary rate coefficients. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The proposed coarse-grained model is applied to the study of nonequilibrium flows behind normal shock waves and within converging-diverging nozzles. In both cases, the flow is assumed inviscid and steady. Computational results are compared with those obtained by direct solution of the master equation for the rovibrational collisional model and a more conventional multitemperature model. It is found that the proposed coarse-grained model is able to accurately resolve the nonequilibrium dynamics of internal energy excitation and dissociation-recombination processes with only 20 energy bins. Furthermore, the proposed coarse-grained model provides a superior description of the nonequilibrium phenomena occurring in shock heated and nozzle flows when compared with the conventional multitemperature models.

  12. Micromagnetic simulation of energy consumption and excited eigenmodes in elliptical nanomagnetic switches

    International Nuclear Information System (INIS)

    Carlotti, G.; Madami, M.; Gubbiotti, G.; Tacchi, S.

    2014-01-01

    Sub-200 nm patterned magnetic dots are key elements for the design of magnetic switches, memory cells or elementary units of nanomagnetic logic circuits. In this paper, we analyse by micromagnetic simulations the magnetization reversal, the dissipated energy and the excited spin eigenmodes in bistable magnetic switches, consisting of elliptical nanodots with 100×60 nm lateral dimensions. Two different strategies for reversal are considered and the relative results compared: (i) the irreversible switching obtained by the application of an external field along the easy axis, in the direction opposite to the initial magnetization; (ii) the precessional switching accomplished by the application of a short magnetic field pulse, oriented perpendicular to the initial magnetization direction. The obtained results are discussed in terms of deviation from the macrospin behavior, energy dissipation and characteristics of the spectrum of spin eigenmodes excited during the magnetization reversal process

  13. Evolution of collectivity in the 78Ni region: Coulomb excitation of 74Ni at intermediate energies.

    Directory of Open Access Journals (Sweden)

    Marchi T.

    2014-03-01

    Full Text Available The study of the collective properties of nuclear excitations far from stability provides information about the shell structure at extreme conditions. Spectroscopic observables such as the energy or the transition probabilities of the lowest states, in nuclei with large neutron excess, allow to probe the density and isospin dependence of the effective interaction. Indeed, it was recently shown that tensor and three-body forces play an important role in breaking and creating magic numbers. Emblematic is the case of the evolution of the Ni isotopic chain where several features showed up moving from the most neutron rich stable isotope (64Ni towards the 78Ni nucleus where the large neutron excess coincides with a double shell closure. In this framework, we have recently performed an experiment with the goal to extract the B(E2; 0+ → 2+ value for the 74Ni nucleus in an intermediate-energy Coulomb excitation experiment: preliminary results are discussed.

  14. Neutron-scattering study of low-energy excitations in triphenyl phosphite

    CERN Document Server

    Mayer, J; Massalska-Arodz, M; Janik, J A; Natkaniec, I; Steinsvoll, O

    2002-01-01

    The low-energy excitations in crystalline and glassy triphenyl phosphite were studied by inelastic incoherent neutron scattering with two different instruments. The results - the incoherent dynamic structure factor S(2 theta,omega) and the density of states G(omega) - were obtained using direct and inverted geometry time-of-flight spectrometers, respectively. The probable origin of the excess density of states in the glass (boson peak) is discussed. (orig.)

  15. Neutron-scattering study of low-energy excitations in triphenyl phosphite

    International Nuclear Information System (INIS)

    Mayer, J.; Krawczyk, J.; Massalska-Arodz, M.; Janik, J.A.; Natkaniec, I.; Steinsvoll, O.

    2002-01-01

    The low-energy excitations in crystalline and glassy triphenyl phosphite were studied by inelastic incoherent neutron scattering with two different instruments. The results - the incoherent dynamic structure factor S(2θ,ω) and the density of states G(ω) - were obtained using direct and inverted geometry time-of-flight spectrometers, respectively. The probable origin of the excess density of states in the glass (boson peak) is discussed. (orig.)

  16. Radiative proton capture to the first excited state of sup 29 P nucleus at subbarrier energies

    Energy Technology Data Exchange (ETDEWEB)

    Matulewicz, T; Dabrowska, M; Decowski, P; Kicinska-Habior, M; Sikora, B [Warsaw Univ. (Poland). Inst. Fizyki Doswiadczalnej; Toke, J [Rochester Univ., NY (USA). Nuclear Structure Research Lab.; Somorjai, E [Magyar Tudomanyos Akademia, Debrecen (Hungary). Atommag Kutato Intezete

    1985-08-01

    Differential cross sections at 0 deg and 90 deg measured for {sup 28}Si(p,{gamma}{sub 1}){sup 29}P reaction at proton energy range 2.3-2.9 MeV have been analyzed in terms of the direct-semidirect capture model extended by the effective potential approach. Spectroscopic factor of the first excited states of {sup 29}P nucleus was found to be 0.10+-0.05. 9 refs., 1 fig. (author).

  17. Compact alpha-excited sources of low energy x-rays

    International Nuclear Information System (INIS)

    Amlauer, K.; Tuohy, I.

    1976-01-01

    A discussion is given of the use of alpha emitting isotopes, such as 210 Po and 244 Cm, for the production of low energy x-rays (less than 5.9 keV). The design of currently available sources is described, and x-ray fluxes observed from various target materials are presented. Commercial applications of the alpha excitation technique are briefly discussed

  18. Frontiers in propulsion research: Laser, matter-antimatter, excited helium, energy exchange thermonuclear fusion

    Science.gov (United States)

    Papailiou, D. D. (Editor)

    1975-01-01

    Concepts are described that presently appear to have the potential for propulsion applications in the post-1990 era of space technology. The studies are still in progress, and only the current status of investigation is presented. The topics for possible propulsion application are lasers, nuclear fusion, matter-antimatter annihilation, electronically excited helium, energy exchange through the interaction of various fields, laser propagation, and thermonuclear fusion technology.

  19. Energy-analysis of the total nuclear energy cycle based on light water reactors

    International Nuclear Information System (INIS)

    Kistemaker, J.

    1975-01-01

    The energy economy of the total nuclear energy cycle is investigated. Attention is paid to the importance of fossil fuel saving by using nuclear energy. The energy analysis is based on the construction and operation of power plants with an electric output of 1000MWe. Light water moderated reactors with a 2.7 - 3.2% enriched uranium core are considered. Additionally, the whole fuel cycle including ore winning and refining, enrichment and fuel element manufacturing and reprocessing has been taken into account. Neither radioactive waste storage problems nor safety problems related to the nuclear energy cycle and safeguarding have been dealt with, as exhaustive treatments can be found elswhere

  20. Low-energy Coulomb excitation of neutron-rich zinc isotopes

    CERN Document Server

    Van de Walle, J; Behrens, T; Bildstein, V; Blazhev, A; Cederkäll, J; Clément, E; Cocolios, T E; Davinson, T; Delahaye, P; Eberth, J; Ekström, A; Fedorov, D V; Fedosseev, V; Fraile, L M; Franchoo, S; Gernhäuser, R; Georgiev, G; Habs, D; Heyde, K; Huber, G; Huyse, M; Ibrahim, F; Ivanov, O; Iwanicki, J; Jolie, J; Kester, O; Köster, U; Kröll, T; Krücken, R; Lauer, M; Lisetskiy, A F; Lutter, R; Marsh, B A; Mayet, P; Niedermaier, O; Pantea, M; Raabe, R; Reiter, P; Sawicka, M; Scheit, H; Schrieder, G; Schwalm, D; Seliverstov, M D; Sieber, T; Sletten, G; Smirnova, N; Stanoiu, M; Stefanescu, I; Thomas, J C; Valiente-Dobón, J J; Van Duppen, P; Verney, D; Voulot, D; Warr, N; Weisshaar, D; Wenander, F; Wolf, B H; Zielinska, M

    2009-01-01

    At the radioactive ion beam facility REX-ISOLDE, neutron-rich zinc isotopes were investigated using low-energy Coulomb excitation. These experiments have resulted in B(E2,20) values in 74-80Zn, B(E2,42) values in 74,76Zn and the determination of the energy of the first excited 2 states in 78,80Zn. The zinc isotopes were produced by high-energy proton- (A=74,76,80) and neutron- (A=78) induced fission of 238U, combined with selective laser ionization and mass separation. The isobaric beam was postaccelerated by the REX linear accelerator and Coulomb excitation was induced on a thin secondary target, which was surrounded by the MINIBALL germanium detector array. In this work, it is shown how the selective laser ionization can be used to deal with the considerable isobaric beam contamination and how a reliable normalization of the experiment can be achieved. The results for zinc isotopes and the N=50 isotones are compared to collective model predictions and state-of-the-art large-scale shell-model calculations, i...

  1. Accurate adiabatic energy surfaces for the ground and first excited states of He2+

    International Nuclear Information System (INIS)

    Lee, E.P.F.

    1993-01-01

    Different factors affecting the accuracy of the computed energy surfaces of the ground and first excited state of He 2 + have been examined, including the choice of the one-and many-particle bases, the configurational space in the MRCI (multi-reference configuration interaction) calculations and other corrections such as the Davidson and the full counterpoise (CP) correction. From basis-variation studies, it was concluded that multi-reference direct-CI calculations (MRDCI) using CASSCF MOs and/or natural orbitals (NOs) from a smaller CISD calculation, gave results close to full CI. The computed dissociation energies, D e , for the ground and first excited state of He 2 + were 2.4670 (2.4659) eV and 17.2 (17.1) cm -1 , respectively, at the highest level [without and with CP correction for basis-set superposition errors (BSSE)] of calculation with an [11s8p3d1f] GTO contraction, in reasonably good agreement with previous calculations, and estimated correct values, where available. It is believed that the computed D e , and the energy surface for the first excited state should be reasonably accurate. However, for the ground state, the effects of multiple f functions and/or functions of higher angular momentum have not been investigated owing to limitation of the available computing resources. This is probably the only weakness is the present study. (Author)

  2. Distribution of radiative strength with excitation energy: the E1 and M1 giant resonances

    International Nuclear Information System (INIS)

    Brown, G.E.; Speth, J.

    1979-01-01

    Calculations of the giant dipole resonance in the particle-hole model, employing empirical values for the unperturbed particle and hole energies, have been unsuccessful in pushing the dipole state to a sufficiently high energy. it is argued that unperturbed levels correspondign to an effective mass of m*/m approx. 0.6 to 0.7 should be employed. The couplings of particles and holes to vibrations are the crucial ingredients in these considerations. More generally, it is argued that the effective mass relevant to excitations near the Fermi surface is that corresponding to empirical single-particle levels, m*/m greater than or equal to 1.0. For particle-hole excitations above the Fermi surface, it is a decreasing function of excitation energy, reaching the above values 0.6 to 0.7 for E greater than or equal to 2 dirac constant/b omega, dirac constant/sub omega/ being the shell spacing. This has the consequence of spreading out the M1 strength. A new interpretation of experimental strengths is proposed

  3. Totally implantable total artificial heart and ventricular assist device with multipurpose miniature electromechanical energy system.

    Science.gov (United States)

    Takatani, S; Orime, Y; Tasai, K; Ohara, Y; Naito, K; Mizuguchi, K; Makinouchi, K; Damm, G; Glueck, J; Ling, J

    1994-01-01

    A multipurpose miniature electromechanical energy system has been developed to yield a compact, efficient, durable, and biocompatible total artificial heart (TAH) and ventricular assist device (VAD). Associated controller-driver electronics were recently miniaturized and converted into hybrid circuits. The hybrid controller consists of a microprocessor and controller, motor driver, Hall sensor, and commutation circuit hybrids. The sizing study demonstrated that all these components can be incorporated in the pumping unit of the TAH and VAD, particularly in the centerpiece of the TAH and the motor housing of the VAD. Both TAH and VAD pumping units will start when their power line is connected to either the internal power pack or the external battery unit. As a redundant driving and diagnostic port, an emergency port was newly added and will be placed in subcutaneous location. In case of system failure, the skin will be cut down, and an external motor drive or a pneumatic driver will be connected to this port to run the TAH. This will minimize the circulatory arrest time. Overall efficiency of the TAH without the transcutaneous energy transmission system was 14-18% to deliver pump outputs of 4-9 L/min against the right and left afterload pressures of 25 and 100 mm Hg. The internal power requirement ranged from 6 to 13 W. The rechargeable batteries such as NiCd or NiMH with 1 AH capacity can run the TAH for 30-45 min. The external power requirement, when TETS efficiency of 75% was assumed, ranged from 8 to 18 W. The accelerated endurance test in the 42 degrees C saline bath demonstrated stable performance over 4 months. Long-term endurance and chronic animal studies will continue toward a system with 5 years durability by the year 2000.

  4. Biomass energy in Jordan, and its potential contribution towards the total energy mix of the Kingdom

    International Nuclear Information System (INIS)

    Al-Dabbas, Moh'd A. F.

    1994-04-01

    An evaluation of Jordan's bio-energy status was carried out. Available sources and the viability of exploitation were studied in order to identify the size of contribution that bio-energy could provide to the total energy mix of the Kingdom. The advantages of biogas technology were discussed, and a general description of Jordan's experience in this field was presented. Data on Jordan' animal, municipal, and agricultural wastes that are available as a potential source of bio-energy was tabulated. The report ascertained the economic feasibility of biogas utilization in Jordan, and concluded that the annual energy production potential from biogas, with only animal wastes being utilized, would amount to 80,000 ton oil equivalent. This amount of energy is equivalent to 2% of Jordan's total energy consumption in 1992. The utilization of biogas from municipal wastes would produce an additional 2.5% of the total energy consumption of Jordan. The annual value of utilizing animal and municipal wastes would reach 23 million Jordanian Dinars (JD). This value would increase to 61.5 million JD with the utilization of human wastes. The investment required for the utilization of bio-energy sources in Amman and its suburbs on the scale of family unit fermenters was estimated to be in the order of a million JD. The size of investment for industrial scale utilization for power generation with an electricity feed to the national grid, would range from 3 to 4 million JD. (A.M.H.). 8 refs., 4 tabs

  5. The 4p6 autoionization cross section of Rb atoms excited by low-energy electron impact

    International Nuclear Information System (INIS)

    Borovik, A; Roman, V; Kupliauskienė, A

    2012-01-01

    The autoionization cross section of rubidium atoms was obtained by measuring the total normalized intensities of ejected-electron spectra arising from the decay of the 4p 5 n 1 l 1 n 2 l 2 autoionizing levels. The electron impact energy range from the 4p 6 excitation threshold at 15.31 up to 50 eV was investigated. The cross section reaches the maximum value of (2.9 ± 0.6) × 10 −16  cm 2 at 21.8 eV impact energy. The general behaviours of the cross section and the role of particular autoionizing configurations in its formation were considered on the basis of large-scale configuration interaction calculations of energies, cross sections, autoionization probabilities in 5snl(n ⩽ 7; l ⩽ 4) and 4d nl(n ⩽ 5; l ⩽ 2) configurations as well as the measured excitation functions for the lowest levels in 5s 2 and 4d5s configurations. The resonance behaviour of the cross section between 15.3 and 18.5 eV impact energy is caused exclusively by the negative-ion resonances present close to the excitation thresholds of the (5s 2 ) 2 P and (4d5s) 4 P autoionizing levels. At higher impact energies, the autoionization cross section is composed of contributions from the high-lying quartet and doublet levels in 4d5s, 5p and 5s5p, 5d, 6s, 6p configurations. From the comparison of the present data with available experimental and calculated ionization cross sections, the 5s + 4p 6 direct ionization cross section of rubidium atoms was determined with the maximum value of (7.2 ± 2.2) × 10 −16  cm 2 at 36 eV. It was also found that the 4p 6 excitation–autoionization is the dominant indirect ionization process contributing over 30% of the total single ionization of rubidium atoms by electron impact in the 15.3–50 eV energy range. (paper)

  6. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

    Science.gov (United States)

    Barklem, P. S.

    2018-02-01

    Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

  7. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

    Science.gov (United States)

    Barklem, P. S.

    2018-05-01

    Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

  8. Energy management for cost reduction in the production. TEEM - Total Energy Efficiency Management; Energiemanagement zur Kostensenkung in der Produktion. TEEM - Total Energy Efficiency Management

    Energy Technology Data Exchange (ETDEWEB)

    Westkaemper, Engelbert; Verl, Alexander (eds.)

    2009-07-01

    Within the workshop of the Fraunhofer Institute for Manufacturing Engineering and Automation IPA (Stuttgart, Federal Republic of Germany) at 6th October, 2009, in Stuttgart the following lectures were held: (1) Presentation of Fraunhofer Institute for Manufacturing Engineering and Automation IPA (Engelbert Westkaemper); (2) TEEM - Total Energy Efficiency Management - ''With energy management to an energy efficient production'' (Alexander Schloske); (3) DIN EN 16001 Introduction of an energy management system - utilization and advantages for companies (Sylvia Wahren); (4) Analysis of the energy efficiency with power flow - Support and implementation at factory planning and optimization of production (Klaus Erlach); (5) Total Energy Efficiency Management - Approaches at the company Kaercher in injection moulding for example (Axel Leschtar); (6) Modelling the embodied product energy (Shahin Rahimifard); (7) Acquisition of energy data in the production - Technologies and possibilities (Joachim Neher); (8) Active energy management by means of an ''energy control centre'' - Analysis of the real situation and upgrading measures in the production using coating plants as an example (Wolfgang Klein); (9) Visualisation and simulation of energy values in the digital factory (Carmen Constantinescu, Axel Bruns).

  9. Environment-assisted Quantum Critical Effect for Excitation Energy Transfer in a LH2-type Trimer

    Science.gov (United States)

    Xu, Lan; Xu, Bo

    2015-10-01

    In this article, we are investigating excitation energy transfer (EET) in a basic unit cell of light-harvesting complex II (LH2), named a LH2-type trimer. Calculation of energy transfer efficiency (ETE) in the framework of non-Markovian environment is also implemented. With these achievements, we theoretically predict the environment-assisted quantum critical effect, where ETE exhibits a sudden change at the critical point of quantum phase transition (QPT) for the LH2-type trimer. It is found that highly efficient EET with nearly unit efficiency may occur in the vicinity of the critical point of QPT.

  10. Targeted energy transfers and passive acoustic wave redirection in a two-dimensional granular network under periodic excitation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yijing, E-mail: yzhng123@illinois.edu; Moore, Keegan J.; Vakakis, Alexander F. [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); McFarland, D. Michael [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

    2015-12-21

    We study passive pulse redirection and nonlinear targeted energy transfer in a granular network composed of two semi-infinite, ordered homogeneous granular chains mounted on linear elastic foundations and coupled by weak linear stiffnesses. Periodic excitation in the form of repetitive half-sine pulses is applied to one of the chains, designated as the “excited chain,” whereas the other chain is initially at rest and is regarded as the “absorbing chain.” We show that passive pulse redirection and targeted energy transfer from the excited to the absorbing chain can be achieved by macro-scale realization of the spatial analog of the Landau-Zener quantum tunneling effect. This is realized by finite stratification of the elastic foundation of the excited chain and depends on the system parameters (e.g., the percentage of stratification) and on the parameters of the periodic excitation. Utilizing empirical mode decomposition and numerical Hilbert transforms, we detect the existence of two distinct nonlinear phenomena in the periodically forced network; namely, (i) energy localization in the absorbing chain due to sustained 1:1 resonance capture leading to irreversible pulse redirection from the excited chain, and (ii) continuous energy exchanges in the form of nonlinear beats between the two chains in the absence of resonance capture. Our results extend previous findings of transient passive energy redirection in impulsively excited granular networks and demonstrate that steady state passive pulse redirection in these networks can be robustly achieved under periodic excitation.

  11. The energy structure and decay channels of the 4p6-shell excited states in Sr

    Science.gov (United States)

    Kupliauskienė, A.; Kerevičius, G.; Borovik, V.; Shafranyosh, I.; Borovik, A.

    2017-11-01

    The ejected-electron spectra arising from the decay of the 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } autoionizing states in Sr atoms have been studied precisely at the incident-electron energies close to excitation and ionization thresholds of the 4{{{p}}}6 subshell. The excitation behaviors for 58 lines observed between 12 and 21 eV ejected-electron kinetic energy have been investigated. Also, the ab initio calculations of excitation energies, autoionization probabilities and electron-impact excitation cross sections of the states 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } (nl = 4d, 5s, 5p; {n}{\\prime }{l}{\\prime } = 4d, 5s, 5p; {n}{\\prime\\prime }{l}{\\prime\\prime } = 5s, 6s, 7s, 8s, 9s, 5p, 6p, 5d, 6d, 7d, 8d, 4f, 5g) have been performed by employing the large-scale configuration-interaction method in the basis of the solutions of Dirac-Fock-Slater equations. The obtained experimental and theoretical data have been used for the accurate identification of the 60 lines in ejected-electron spectra and the 68 lines observed earlier in photoabsorption spectra. The excitation and decay processes for 105 classified states in the 4p55s{}2{nl}, 4p54d{}2{nl} and 4p55s{{nln}}{\\prime }{l}{\\prime } configurations have been considered in detail. In particular, most of the states lying below the ionization threshold of the 4p6 subshell at 26.92 eV possess up to four decay channels with formation of Sr+ in 5s{}1/2, 4d{}3/{2,5/2} and 5p{}1/{2,3/2} states. Two-step autoionization and two-electron Auger transitions with formation of Sr2+ in the 4p6 {}1{{{S}}}0 ground state are the main decay paths for high-lying autoionizing states. The excitation threshold of the 4{{{p}}}6 subshell in Sr has been established at 20.98 ± 0.05 eV.

  12. Charge and energy dynamics in photo-excited poly(para-phenylenevinylene) systems

    International Nuclear Information System (INIS)

    Gisslen, L.; Johansson, A.; Stafstroem, S.

    2004-01-01

    We report results from simulations of charge and energy dynamics in poly(para-phenylenevinylene) (PPV) and PPV interacting with C 60 . The simulations were performed by solving the time-dependent Schroedinger equation and the lattice equation of motion simultaneously and nonadiabatically. The electronic system and the coupling of the electrons to the lattice were described by an extended three-dimensional version of the Su-Schrieffer-Heeger model, which also included an external electric field. Electron and lattice dynamics following electronic excitations at different energies have been simulated. The effect of additional lattice energy was also included in the simulations. Our results show that both exciton diffusion and transitions from high to lower lying excitations are stimulated by increasing the lattice energy. Also field induced charge separation occurs faster if the lattice energy is increased. This separation process is highly nonadiabatic and involves a significant rearrangement of the electron distribution. In the case of PPV coupled to C 60 , we observe a spontaneous charge separation. The separation time is in this case limited by the local concentration of C 60 molecules close to the PPV chain

  13. Investigation of the heavy nuclei fission with anomalously high values of the fission fragments total kinetic energy

    Science.gov (United States)

    Khryachkov, Vitaly; Goverdovskii, Andrei; Ketlerov, Vladimir; Mitrofanov, Vecheslav; Sergachev, Alexei

    2018-03-01

    Binary fission of 232Th and 238U induced by fast neutrons were under intent investigation in the IPPE during recent years. These measurements were performed with a twin ionization chamber with Frisch grids. Signals from the detector were digitized for further processing with a specially developed software. It results in information of kinetic energies, masses, directions and Bragg curves of registered fission fragments. Total statistics of a few million fission events were collected during each experiment. It was discovered that for several combinations of fission fragment masses their total kinetic energy was very close to total free energy of the fissioning system. The probability of such fission events for the fast neutron induced fission was found to be much higher than for spontaneous fission of 252Cf and thermal neutron induced fission of 235U. For experiments with 238U target the energy of incident neutrons were 5 MeV and 6.5 MeV. Close analysis of dependence of fission fragment distribution on compound nucleus excitation energy gave us some explanation of the phenomenon. It could be a process in highly excited compound nucleus which leads the fissioning system from the scission point into the fusion valley with high probability.

  14. The mechanism of three-body process of energy transfer from excited xenon atoms to molecules

    International Nuclear Information System (INIS)

    Wojciechowski, K.; Forys, M.

    1999-01-01

    The mechanism of energy transfer from Xe(6 s[3/2] 1 ) resonance state (E=8.44 eV) and higher excited Xe(6p, 6p', 6 d) atoms produced in pulse radiolysis to molecules have been discussed. The analysis of the kinetic data for these processes shows that in the sensitized photolysis and radiolysis of Xe-M mixtures the excited atoms decay in 'ordinary' two-body reaction: Xe(6s[3/2] 1 0 )+M→products (r.1) and in fast 'accelerated' third order process: Xe(6s[3/2] 1 0 )+M+Xe→products (r.2) The discussion shows that three-body process occurs via reactions: Xe(6s[3/2] 1 0 )+Xe k w ↔ k d Xe 2 ** (r.2a) Xe 2 **+M k q →[Xe 2 M]*→products (r.2b) It was shown that this mechanism concerns also higher excited Xe atoms and can explain a similar process in He-M mixtures and suggests that it is a general mechanism of energy transfer in all irradiated rare gas-molecule systems

  15. Electron Energy Loss and One- and Two-Photon Excited SERS Probing of “Hot” Plasmonic Silver Nanoaggregates

    DEFF Research Database (Denmark)

    Kadkhodazadeh, Shima; Wagner, Jakob Birkedal; Joseph, Virginia

    2013-01-01

    in an optical experiment and electron energy loss intensity at energies corresponding to excitation wavelengths used for optical probing. This inverse relation exists independent on specific nanoaggregate geometries and is mainly controlled by the gap size between the particles forming the aggregate. The ratio...... between two- and one-photon excited SERS measured at different excitation wavelengths provides information about local fields in the hottest spots and their dependence on the photon energy. Our data verify experimentally the predicted increase of local optical fields in the hot spots with increasing wave...

  16. Resonant states in 13C and 16,17O at high excitation energy

    International Nuclear Information System (INIS)

    Rodrigues, M R D; Borello-Lewin, T; Miyake, H; Duarte, J L M; Rodrigues, C L; Horodynski-Matsushigue, L B; Ukita, G M; Cappuzzello, F; Foti, A; Cavallaro, M; Agodi, C; Cunsolo, A; Carbone, D; Bondi, M; Napoli, M De; Roeder, B T; Linares, R; Lombardo, I

    2014-01-01

    The 9 Be( 6 Li,d) 13 C and 12,13 C( 6 Li,d) 16,17 O reactions were measured at the São Paulo Pelletron-Enge-Spectrograph facility at 25.5 MeV incident energy. The nuclear emulsion detection technique was applied. Several narrow resonances were populated up to approximately 17 MeV of excitation energy. An excellent energy resolution was obtained: 40 keV for 13 C and 15-30 keV for 16 O. The upper limit for the resonance widths were determined. Recently, d-a angular correlations were measured at θ d = 0° with incident energy of 25 MeV using the LNS Tandem-MAGNEX Spectrometer facility

  17. Resonant states in 13C and 16,17O at high excitation energy

    Science.gov (United States)

    Rodrigues, M. R. D.; Borello-Lewin, T.; Miyake, H.; Duarte, J. L. M.; Rodrigues, C. L.; Horodynski-Matsushigue, L. B.; Ukita, G. M.; Cappuzzello, F.; Cavallaro, M.; Foti, A.; Agodi, C.; Cunsolo, A.; Carbone, D.; Bondi, M.; De Napoli, M.; Roeder, B. T.; Linares, R.; Lombardo, I.

    2014-12-01

    The 9Be(6Li,d)13C and 12,13C(6Li,d)16,17O reactions were measured at the São Paulo Pelletron-Enge-Spectrograph facility at 25.5 MeV incident energy. The nuclear emulsion detection technique was applied. Several narrow resonances were populated up to approximately 17 MeV of excitation energy. An excellent energy resolution was obtained: 40 keV for 13C and 15-30 keV for 16O. The upper limit for the resonance widths were determined. Recently, d-a angular correlations were measured at θd = 0° with incident energy of 25 MeV using the LNS Tandem-MAGNEX Spectrometer facility.

  18. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    Science.gov (United States)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

    2015-12-01

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

  19. Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

    Science.gov (United States)

    Xie, Yu; Jiang, Shengshi; Zheng, Jie; Lan, Zhenggang

    2017-12-21

    Photoinduced excited-state electron and energy transfer processes are crucial in biological photoharvesting systems and organic photovoltaic devices. We discuss the construction of a diabatic vibronic Hamiltonian for the proper treatment of these processes involving the projection approach acting on both electronic wave functions and vibrational modes. In the electronic part, the wave function projection approach is used to construct the diabatic Hamiltonian in which both local excited states and charge-transfer states are included on the same footing. For the vibrational degrees of freedom, the vibronic couplings in the diabatic Hamiltonian are obtained in the basis of the pseudonormal modes localized on each monomer site by applying delocalized-to-localized mode projection. This systematic approach allows us to construct the vibronic diabatic Hamiltonian in molecular aggregates.

  20. Probing core polarization around 78Ni: intermediate energy Coulomb excitation of 74Ni

    Directory of Open Access Journals (Sweden)

    Marchi T.

    2013-12-01

    We have recently measured the B(E2; 0+ → 2+ of the 74Ni nucleus in an intermediate-energy Coulomb excitation experiment performed at the National Superconducting Cyclotron Laboratory of the Michigan State University. The 74Ni secondary beam has been produced by fragmentation of 86Kr at 140 AMeV on a thick Be target. Selected radioactive fragments impinged on a secondary 197Au target where the measurement of the emitted γ-rays allows to extract the Coulomb excitation cross section and related structure information. Preliminary B(E2 values do not point towards an enhancement of the transition matrix element and the comparison to what was already measured by Aoi and co-workers in [1] opens new scenarios in the interpretation of the shell evolution of the Z=28 isotopes.

  1. Electron energy distributions and excitation rates in high-frequency argon discharges

    International Nuclear Information System (INIS)

    Ferreira, C.M.; Loureiro, J.

    1983-06-01

    The electron energy distribution functions and rate coefficients for excitation and ionisation in argon under the action of an uniform high-frequency electric field were calculated by numerically solving the homogeneous Boltzmann equation. Analytic calculations in the limiting cases ω>>νsub(c) and ω<<νsub(c), where ω is the wave angular frequency and νsub(c) is the electron-neutral collision frequency for momentum transfer, are also presented and shown to be in very good agreement with the numerical computations. The results reported here are relevant for the modelling of high-frequency discharges in argon and, in particular, for improving recent theoretical descriptions of a plasma column sustained by surface microwaves. The properties of surface wave produced plasmas make them interesting as possible substitutes for other more conventional plasma sources for such important applications as plasma chemistry laser excitation, plasma etching spectroscopic sources etc...

  2. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-580 São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); and others

    2015-12-14

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

  3. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    International Nuclear Information System (INIS)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.

    2015-01-01

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule

  4. Impact of nuclear lattice relaxation on the excitation energy transfer along a chain of pi-conjugated molecules

    NARCIS (Netherlands)

    Schmid, S.A.; Abbel, R.J.; Schenning, A.P.H.J.; Meijer, E.W.; Herz, L.M.

    2010-01-01

    We have investigated the extent to which delocalization of the ground-state and excited-state wave functions of a p-conjugated molecule affects the excitation energy transfer (EET) between such molecules. Using femtosecond photoluminescence spectroscopy, we experimentally monitored the EET along

  5. Luminescence of the SrCl2:Pr crystals under high-energy excitation

    International Nuclear Information System (INIS)

    Antonyak, O.T.; Voloshinovskii, A.S.; Vistovskyy, V.V.; Stryganyuk, G.B.; Kregel, O.P.

    2014-01-01

    The present research was carried out in order to elucidate the mechanisms of energy transfer from the crystal lattice to Pr 3+ ions in SrCl 2 . The luminescence excitation and emission spectra as well as luminescence kinetics of the SrCl 2 :Pr single crystals containing 0.2 mol% Pr were investigated at 300 and 10 K using the vacuum ultraviolet (VUV) synchrotron radiation. The X-ray excited luminescence spectra of the SrCl 2 :Pr (C Pr =0.2 and 0.5 mol%) and SrCl 2 :Pr, K (C Pr =1.5 mol%; C K =1.5 mol%) crystals were studied at 294 and 80 K. Under optical excitation of the samples in the Pr 3+ absorption bands, there were observed five fast ultraviolet emissions assigned to the 4f 1 5d→4f 2 transitions, and two long-wave bands corresponding to the f–f transitions. Furthermore, the intrinsic emission bands of SrCl 2 were observed at 10 K. The X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal containing 0.2 mol% Pr, besides intrinsic emission band near 400 nm, has got a long-wave band at about 490 nm of the Pr 3+ centers. There were not observed any emission bands of the Pr 3+ centers corresponding to the 4f 1 5d–4f 2 transitions in the X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal. The possible mechanisms of energy transfer from the SrCl 2 matrix to the Pr 3+ centers are discussed. -- Highlights: • Spectral-luminescent properties of SrCl 2 :Pr have been investigated. • The identification of emission 4f–4f and 5d–4f bands of Pr 3+ ions was performed. • Adding of potassium prevents clustering of the Pr 3+ centers in the SrCl 2 :Pr, K crystals. • Under X-ray excitation at 80–300 K only Pr 3+ 4f–4f and intrinsic emission is observed

  6. Control of base-excited dynamical systems through piezoelectric energy harvesting absorber

    Science.gov (United States)

    Abdelmoula, H.; Dai, H. L.; Abdelkefi, A.; Wang, L.

    2017-09-01

    The spring-mass absorber usually offers a good control to dynamical systems under direct base excitations for a specific value of the excitation frequency. As the vibrational energy of a primary dynamical system is transferred to the absorber, it gets dissipated. In this study, this energy is no longer dissipated but converted to available electrical power by designing efficient energy harvesters. A novel design of a piezoelectric beam installed inside an elastically-mounted dynamical system undergoing base excitations is considered. A design is carried out in order to determine the properties and dimensions of the energy harvester with the constraint of simultaneously decreasing the oscillating amplitudes of the primary dynamical system and increasing the harvested power of the energy harvesting absorber. An analytical model for the coupled system is constructed using Euler-Lagrange principle and Galerkin discretization. Different strategies for controlling the primary structure displacement and enhancing the harvested power as functions of the electrical load resistance and thickness of the beam substrate are performed. The linear polynomial approximation of the system’s key parameters as a function of the beam’s substrate thickness is first carried out. Then, the gradient method is applied to determine the adequate values of the electrical load resistance and thickness of the substrate under the constraints of minimizing the amplitudes of the primary structure or maximizing the levels of the harvested power. After that, an iterative strategy is considered in order to simultaneously minimize the amplitudes of the primary structure and maximize the levels of the harvested power as functions of the thickness of the substrate and electrical load resistance. In addition to harmonic excitations, the coupled system subjected to a white noise is explored. Through this analysis, the load resistance and thickness of the substrate of the piezoelectric energy harvester

  7. Excitation energy transfer between Light-harvesting complex II and Photosystem I in reconstituted membranes.

    Science.gov (United States)

    Akhtar, Parveen; Lingvay, Mónika; Kiss, Teréz; Deák, Róbert; Bóta, Attila; Ughy, Bettina; Garab, Győző; Lambrev, Petar H

    2016-04-01

    Light-harvesting complex II (LHCII), the major peripheral antenna of Photosystem II in plants, participates in several concerted mechanisms for regulation of the excitation energy and electron fluxes in thylakoid membranes. In part, these include interaction of LHCII with Photosystem I (PSI) enhancing the latter's absorption cross-section - for example in the well-known state 1 - state 2 transitions or as a long-term acclimation to high light. In this work we examined the capability of LHCII to deliver excitations to PSI in reconstituted membranes in vitro. Proteoliposomes with native plant thylakoid membrane lipids and different stoichiometric ratios of LHCII:PSI were reconstituted and studied by steady-state and time-resolved fluorescence spectroscopy. Fluorescence emission from LHCII was strongly decreased in PSI-LHCII membranes due to trapping of excitations by PSI. Kinetic modelling of the time-resolved fluorescence data revealed the existence of separate pools of LHCII distinguished by the time scale of energy transfer. A strongly coupled pool, equivalent to one LHCII trimer per PSI, transferred excitations to PSI with near-unity efficiency on a time scale of less than 10ps but extra LHCIIs also contributed significantly to the effective antenna size of PSI, which could be increased by up to 47% in membranes containing 3 LHCII trimers per PSI. The results demonstrate a remarkable competence of LHCII to increase the absorption cross-section of PSI, given the opportunity that the two types of complexes interact in the membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.

    Science.gov (United States)

    van Meer, R; Gritsenko, O V; Baerends, E J

    2014-10-14

    In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We highlight the advantages of (close to) exact Kohn-Sham orbitals and orbital energies for a simple description, very often as just a single orbital-to-orbital transition, of molecular excitations. Benchmark calculations are performed for the statistical average of orbital potentials (SAOP) functional for the potential [J. Chem. Phys. 2000, 112, 1344; 2001, 114, 652], which approximates the true Kohn-Sham potential much better than LDA, GGA, mGGA, and hybrid potentials do. An accurate Kohn-Sham potential does not only perform satisfactorily for calculated vertical excitation energies of both valence and Rydberg transitions but also exhibits appealing properties of the KS orbitals including occupied orbital energies close to ionization energies, virtual-occupied orbital energy gaps very close to excitation energies, realistic shapes of virtual orbitals, leading to straightforward interpretation of most excitations as single orbital transitions. We stress that such advantages are completely lost in time-dependent Hartree-Fock and partly in hybrid approaches. Many excitations and excitation energies calculated with local density, generalized gradient, and hybrid functionals are spurious. There is, with an accurate KS, or even the LDA or GGA potentials, nothing problematic about the "band gap" in molecules: the HOMO-LUMO gap is close to the first excitation energy (the optical gap).

  9. Calculation of the total electron excitation cross section in the Born approximation using Slater wave functions for the Li (2s yields 2p), Li (2s yields 3p), Na (3s yields 4p), Mg (3p yields 4s), Ca (4s yields 4p) and K (4s yields 4p) excitations. M.S. Thesis

    Science.gov (United States)

    Simsic, P. L.

    1974-01-01

    Excitation of neutral atoms by inelastic scattering of incident electrons in gaseous nebulae were investigated using Slater Wave functions to describe the initial and final states of the atom. Total cross sections using the Born Approximation are calculated for: Li(2s yields 2p), Na(3s yields 4p), k(4s yields 4p). The intensity of emitted radiation from gaseous nebulae is also calculated, and Maxwell distribution is employed to average the kinetic energy of electrons.

  10. Impurities in semiconductors: total energy and infrared absorption calculations

    International Nuclear Information System (INIS)

    Yndurain, F.

    1987-01-01

    A new method to calculate the electronic structure of infinite nonperiodic system is discussed. The calculations are performed using atomic pseudopotentials and a basis of atomic Gaussiam wave functions. The Hartree-Fock self consistent equations are solved in the cluster-Bethe lattice system. Electron correlation is partially included in second order pertubation approximation. The formalism is applied to hydrogenated amorphous silicon. Total energy calculations of finite clusters of silicon atom in the presence of impurities, are also presented. The results show how atomic oxygen breaks the covalent silicon silicon bond forming a local configuration similar to that of SiO 2 . Calculations of the infrared absorption due to the presence of atomic oxygen in cristalline silicon are presented. The Born Hamiltonian to calculate the vibrational modes of the system and a simplied model to describe the infrared absorption mechanism are used. The interstitial and the the substitutional cases are considered and analysed. The position of the main infrared absorption peak, their intensities and their isotope shifts are calculated. The results are satisfactory agreement with the available data. (author) [pt

  11. Mechanism and models for collisional energy transfer in highly excited large polyatomic molecules

    International Nuclear Information System (INIS)

    Gilbert, R. G.

    1995-01-01

    Collisional energy transfer in highly excited molecules (say, 200-500 kJ mol -1 above the zero-point energy of reactant, or of product, for a recombination reaction) is reviewed. An understanding of this energy transfer is important in predicting and interpreting the pressure dependence of gas-phase rate coefficients for unimolecular and recombination reactions. For many years it was thought that this pressure dependence could be calculated from a single energy-transfer quantity, such as the average energy transferred per collision. However, the discovery of 'super collisions' (a small but significant fraction of collisions which transfer abnormally large amounts of energy) means that this simplistic approach needs some revision. The 'ordinary' (non-super) component of the distribution function for collisional energy transfer can be quantified either by empirical models (e.g., an exponential-down functional form) or by models with a physical basis, such as biased random walk (applicable to monatomic or diatomic collision partners) or ergodic (for polyatomic collision partners) treatments. The latter two models enable approximate expressions for the average energy transfer to be estimated from readily available molecular parameters. Rotational energy transfer, important for finding the pressure dependence for recombination reactions, can for these purposes usually be taken as transferring sufficient energy so that the explicit functional form is not required to predict the pressure dependence. The mechanism of 'ordinary' energy transfer seems to be dominated by low-frequency modes of the substrate, whereby there is sufficient time during a vibrational period for significant energy flow between the collision partners. Super collisions may involve sudden energy flow as an outer atom of the substrate is squashed between the substrate and the bath gas, and then is moved away from the interaction by large-amplitude motion such as a ring vibration or a rotation; improved

  12. Ultrafast Nonradiative Decay and Excitation Energy Transfer by Carotenoids in Photosynthetic Light-Harvesting Proteins

    Science.gov (United States)

    Ghosh, Soumen

    This dissertation investigates the photophysical and structural dynamics that allow carotenoids to serve as efficient excitation energy transfer donor to chlorophyll acceptors in photosynthetic light harvesting proteins. Femtosecond transient grating spectroscopy with optical heterodyne detection has been employed to follow the nonradiative decay pathways of carotenoids and excitation energy transfer to chlorophylls. It was found that the optically prepared S2 (11Bu+) state of beta-carotene decays in 12 fs fs to populate an intermediate electronic state, Sx, which then decays nonradiatively to the S 1 state. The ultrafast rise of the dispersion component of the heterodyne transient grating signal reports the formation of Sx intermediate since the rise of the dispersion signal is controlled by the loss of stimulated emission from the S2 state. These findings were extended to studies of peridinin, a carbonyl substituted carotenoid that serves as a photosynthetic light-harvesting chromophore in dinoflagellates. Numerical simulations using nonlinear response formalism and the multimode Brownian oscillator model assigned the Sx intermediate to a torsionally distorted structure evolving on the S2 potential surface. The decay of the Sx state is promoted by large amplitude out-of-plane torsional motions and is significantly retarded by solvent friction owing to the development of an intramolecular charge transfer character in peridinin. The slowing of the nonradiative decay allows the Sx state to transfer significant portion of the excitation energy to chlorophyll a acceptors in the peridinin-chlorophyll a protein. The results of heterodyne transient grating study on peridinin-chlorophyll a protein suggests two distinct energy transfer channels from peridinin to chlorophyll a: a 30 fs process involving quantum coherence and delocalized peridinin-Chl states and an incoherent, 2.5 ps process involving the distorted S2 state of peridinin. The torsional evolution on the S2

  13. A new analysis technique to measure fusion excitation functions with large beam energy dispersions

    Science.gov (United States)

    Figuera, P.; Di Pietro, A.; Fisichella, M.; Lattuada, M.; Shotter, A. C.; Ruiz, C.; Zadro, M.

    2018-01-01

    Peculiar nuclear structures of two colliding nuclei such has clustering, neutron halo/skin or very low breakup thresholds can affect the reaction dynamics below the Coulomb barrier and this may also have astrophysical consequences. In order to have a better understanding of this topic, in the last decade, several experiments were performed. A typical experimental challenge of such studies is the need to measure excitation functions below the Coulomb barrier, having a strong energy dependence, with rather large beam energy dispersions inside the target. This may easily lead to ambiguities in associating the measured cross section with a proper beam energy. In this paper a discussion on this topic is reported and a new technique to deal with the above problem will be proposed.

  14. Microscopic unitary description of tidal excitations in high-energy string-brane collisions

    CERN Document Server

    D'Appollonio, Giuseppe; Russo, Rodolfo; Veneziano, Gabriele

    2013-01-01

    The eikonal operator was originally introduced to describe the effect of tidal excitations on higher-genus elastic string amplitudes at high energy. In this paper we provide a precise interpretation for this operator through the explicit tree-level calculation of generic inelastic transitions between closed strings as they scatter off a stack of parallel Dp-branes. We perform this analysis both in the light-cone gauge, using the Green-Schwarz vertex, and in the covariant formalism, using the Reggeon vertex operator. We also present a detailed discussion of the high energy behaviour of the covariant string amplitudes, showing how to take into account the energy factors that enhance the contribution of the longitudinally polarized massive states in a simple way.

  15. Effects of Energy Dissipation on the Parametric Excitation of a Coupled Qubit-Cavity System

    Science.gov (United States)

    Remizov, S. V.; Zhukov, A. A.; Shapiro, D. S.; Pogosov, W. V.; Lozovik, Yu. E.

    2018-02-01

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

  16. High Excitation Transfer Efficiency from Energy Relay Dyes in Dye-Sensitized Solar Cells

    KAUST Repository

    Hardin, Brian E.

    2010-08-11

    The energy relay dye, 4-(Dicyanomethylene)-2-methyl-6-(4- dimethylaminostyryl)-4H-pyran (DCM), was used with a near-infrared sensitizing dye, TT1, to increase the overall power conversion efficiency of a dye-sensitized solar cell (DSC) from 3.5% to 4.5%. The unattached DCM dyes exhibit an average excitation transfer efficiency (EÌ?TE) of 96% inside TT1-covered, mesostructured TiO2 films. Further performance increases were limited by the solubility of DCM in an acetonitrile based electrolyte. This demonstration shows that energy relay dyes can be efficiently implemented in optimized dye-sensitized solar cells, but also highlights the need to design highly soluble energy relay dyes with high molar extinction coefficients. © 2010 American Chemical Society.

  17. Application of radionuclide sources for excitation in energy-dispersive X-ray fluorescence analysis

    International Nuclear Information System (INIS)

    Hoffmann, P.

    1986-01-01

    X-ray fluorescence (XRF) analysis is in broad application in many fields of science where elemental determinations are necessary. Solid and liquid samples are analyzed by this method. Solids are introduced in thin or thick samples as melted glass, pellets, powders or as original specimen. The excitation of X-ray spectra can be performed by specific and polychromic radiation of X-ray tubes, by protons, deuterons, α-particles, heavy ions and synchrotron radiation from accelerators and by α-particles, X- and γ-rays and by bremsstrahlung generated by β - -particles from radionuclide sources. The radionuclides are devided into groups with respect to their decay mode and the energy of the emitted radiation. The broad application of radionuclides in XRF excitation is shown in examples as semi-quantitative analysis of glasses, as quantitative analysis of coarse ceramics and as quantitative determination of heavy elements (mainly actinides) in solutions. The advantages and disadvantages of radionuclide excitation in XRF analysis are discussed. (orig.) [de

  18. NO-γ emissions from streamer discharges: direct electron impact excitation versus resonant energy transfer

    International Nuclear Information System (INIS)

    Liu Ningyu; Pasko, Victor P

    2010-01-01

    It has been established that production of NO-γ emission in pulsed corona discharges is dominated by the energy transfer from N 2 (A 3 Σ u + ) to the NO ground state NO(X 2 Π r ) while direct excitation by electron impact is negligible. However, recent studies suggest that the electron impact excitation plays a more important role. In this work, we report modelling results of NO-γ emission associated with streamer discharges using two cross section data sets available in the literature. The first set was originally reported by Mojarrabi et al (1996 Phys. Rev. A 54 2977-82) and later updated by Brunger et al (2000 J. Phys. B: At. Mol. Opt. Phys. 33 809-19); the second set was published by Hayashi (1990 Nonequilibrium Processes in Partially Ionized Gases (NATO Advanced Science Institutes Series, Series B, Physics vol 220) ed M Capitelli and J N Bardsley (New York: Plenum) pp 333-40). According to the results, the role played by the electron impact excitation in the production of NO-γ is drastically different when different cross sections are used. The results indicate that the first data set leads to better agreement with experimental measurements. (fast track communication)

  19. Picosecond excitation energy transfer of allophycocyanin studied in solution and in crystals.

    Science.gov (United States)

    Ranjbar Choubeh, Reza; Sonani, Ravi R; Madamwar, Datta; Struik, Paul C; Bader, Arjen N; Robert, Bruno; van Amerongen, Herbert

    2018-03-01

    Cyanobacteria perform photosynthesis with the use of large light-harvesting antennae called phycobilisomes (PBSs). These hemispherical PBSs contain hundreds of open-chain tetrapyrrole chromophores bound to different peptides, providing an arrangement in which excitation energy is funnelled towards the PBS core from where it can be transferred to photosystem I and/or photosystem II. In the PBS core, many allophycocyanin (APC) trimers are present, red-light-absorbing phycobiliproteins that covalently bind phycocyanobilin (PCB) chromophores. APC trimers were amongst the first light-harvesting complexes to be crystallized. APC trimers have two spectrally different PCBs per monomer, a high- and a low-energy pigment. The crystal structure of the APC trimer reveals the close distance (~21 Å) between those two chromophores (the distance within one monomer is ~51 Å) and this explains the ultrafast (~1 ps) excitation energy transfer (EET) between them. Both chromophores adopt a somewhat different structure, which is held responsible for their spectral difference. Here we used spectrally resolved picosecond fluorescence to study EET in these APC trimers both in crystallized and in solubilized form. We found that not all closely spaced pigment couples consist of a low- and a high-energy pigment. In ~10% of the cases, a couple consists of two high-energy pigments. EET to a low-energy pigment, which can spectrally be resolved, occurs on a time scale of tens of picoseconds. This transfer turns out to be three times faster in the crystal than in the solution. The spectral characteristics and the time scale of this transfer component are similar to what have been observed in the whole cells of Synechocystis sp. PCC 6803, for which it was ascribed to EET from C-phycocyanin to APC. The present results thus demonstrate that part of this transfer should probably also be ascribed to EET within APC trimers.

  20. Strategy of ring-shaped aggregates in excitation energy transfer for removing disorder-induced shielding

    International Nuclear Information System (INIS)

    Tei, Go; Nakatani, Masatoshi; Ishihara, Hajime

    2013-01-01

    Peripheral light harvesting complex (LH2), which is found in photosynthetic antenna systems of purple photosynthetic bacteria, has important functions in the photosynthetic process, such as harvesting sunlight and transferring its energy to the photosynthetic reaction center. The key component in excitation energy transfer (EET) between LH2s is B850, which is a characteristic ring-shaped aggregate of pigments usually formed by 18 or 16 bacteriochlorophylls in LH2. We theoretically study the strategy of the ring-shaped aggregate structure, which maximizes EET efficiency, by using the standard Frenkel exciton model and the self-consistent calculation method for the Markovian quantum master equation and Maxwell equation. As a result, we have revealed a simple but ingenious strategy of the ring-shaped aggregate structure. The combination of three key properties of the ring unit system maximizes the EET efficiency, namely the large dipole moment of aggregates causes the basic improvement of EET efficiency, and the isotropic nature and the large occupying area are critically effective to remove the disorder-induced shielding that inhibits EET in the presence of the randomness of orientation and alignment of carriers of excitation energy. (paper)

  1. Influence of primary fragment excitation energy and spin distributions on fission observables

    Science.gov (United States)

    Litaize, Olivier; Thulliez, Loïc; Serot, Olivier; Chebboubi, Abdelaziz; Tamagno, Pierre

    2018-03-01

    Fission observables in the case of 252Cf(sf) are investigated by exploring several models involved in the excitation energy sharing and spin-parity assignment between primary fission fragments. In a first step the parameters used in the FIFRELIN Monte Carlo code "reference route" are presented: two parameters for the mass dependent temperature ratio law and two constant spin cut-off parameters for light and heavy fragment groups respectively. These parameters determine the initial fragment entry zone in excitation energy and spin-parity (E*, Jπ). They are chosen to reproduce the light and heavy average prompt neutron multiplicities. When these target observables are achieved all other fission observables can be predicted. We show here the influence of input parameters on the saw-tooth curve and we discuss the influence of a mass and energy-dependent spin cut-off model on gamma-rays related fission observables. The part of the model involving level densities, neutron transmission coefficients or photon strength functions remains unchanged.

  2. Vibrational and electronic excitation of hexatriacontane thin films by low energy electron impact

    International Nuclear Information System (INIS)

    Vilar, M.R.; Schott, M.; Pfluger, P.

    1990-01-01

    Thin polycrystalline films of hexatriacontane (HTC) were irradiated with low energy (E=0.5--15 eV) electrons, and off-specular backscattered electron spectra were measured. Below E∼7 eV, single and multiple vibrational excitations only are observed, which relax the electrons down to the bottom of the HTC conduction band. Due to the negative electron affinity of HTC, thermal electrons are emitted into vacuum. Structure in the backscattered electron current at kinetic energies about 1.5 and 4 eV are associated to conduction band density of states. Above E∼7 eV, the dominant losses correspond to electronic excitations, excitons, or above a threshold (energy of the electron inside the HTC film) at 9.2±0.1 eV, electron--hole pair generation. The latter process is very efficient and reaches a yield of the order of one ∼11 eV. Evidence for chemical reaction above E∼4 eV is observed

  3. Investigations of the valence-shell excitations of molecular ethane by high-energy electron scattering

    Science.gov (United States)

    Xu, Wei-Qing; Xu, Long-Quan; Qi, De-Guang; Chen, Tao; Liu, Ya-Wei; Zhu, Lin-Fan

    2018-04-01

    The differential cross sections and generalized oscillator strengths for the low-lying excitations of the valence-shell 1eg orbital electron in ethane have been measured for the first time at a high incident electron energy of 1500 eV and a scattering angular range of 1.5°-10°. A weak feature, termed X here, with a band center of about 7.5 eV has been observed, which was also announced by the previous experimental and theoretical studies. The dynamic behaviors of the generalized oscillator strengths for the 3s (8.7 eV), 3s+3p (9.31 eV, 9.41 eV), and X (˜7.5 eV) transitions on the momentum transfer squared have been obtained. The integral cross sections of these transitions from their thresholds to 5000 eV have been obtained with the aid of the BE-scaling (B is the binding energy and E is the excitation energy) method. The optical oscillator strengths of the above transitions determined by extrapolating their generalized oscillator strengths to the limit of the squared momentum transfer K2 → 0 are in good agreement with the ones from the photoabsorption spectrum [J. W. Au et al., Chem. Phys. 173, 209 (1993)], which indicates that the present differential cross sections, generalized oscillator strengths, and integral cross sections can serve as benchmark data.

  4. Strategy of ring-shaped aggregates in excitation energy transfer for removing disorder-induced shielding

    Science.gov (United States)

    Tei, Go; Nakatani, Masatoshi; Ishihara, Hajime

    2013-06-01

    Peripheral light harvesting complex (LH2), which is found in photosynthetic antenna systems of purple photosynthetic bacteria, has important functions in the photosynthetic process, such as harvesting sunlight and transferring its energy to the photosynthetic reaction center. The key component in excitation energy transfer (EET) between LH2s is B850, which is a characteristic ring-shaped aggregate of pigments usually formed by 18 or 16 bacteriochlorophylls in LH2. We theoretically study the strategy of the ring-shaped aggregate structure, which maximizes EET efficiency, by using the standard Frenkel exciton model and the self-consistent calculation method for the Markovian quantum master equation and Maxwell equation. As a result, we have revealed a simple but ingenious strategy of the ring-shaped aggregate structure. The combination of three key properties of the ring unit system maximizes the EET efficiency, namely the large dipole moment of aggregates causes the basic improvement of EET efficiency, and the isotropic nature and the large occupying area are critically effective to remove the disorder-induced shielding that inhibits EET in the presence of the randomness of orientation and alignment of carriers of excitation energy.

  5. Low-energy heavy-atom impact as a tool for production and classification of doubly excited states

    International Nuclear Information System (INIS)

    Andersen, N.

    1985-01-01

    Low-energy heavy-atom impact may be an efficient way of preferentially populating doubly excited levels. Using neon as an example, this paper discusses why this is so. The similarity of the structure of the energy level diagrams for doubly excited neon and the level scheme for neutral magnesium is pointed out, suggesting that collective quantum numbers may describe the electron pair. (orig.)

  6. Excited-state density functional theory

    International Nuclear Information System (INIS)

    Harbola, Manoj K; Hemanadhan, M; Shamim, Md; Samal, P

    2012-01-01

    Starting with a brief introduction to excited-state density functional theory, we present our method of constructing modified local density approximated (MLDA) energy functionals for the excited states. We show that these functionals give accurate results for kinetic energy and exchange energy compared to the ground state LDA functionals. Further, with the inclusion of GGA correction, highly accurate total energies for excited states are obtained. We conclude with a brief discussion on the further direction of research that include the construction of correlation energy functional and exchange potential for excited states.

  7. Spatial distribution of fluorescent light emitted from neon and nitrogen excited by low energy electron beams

    International Nuclear Information System (INIS)

    Morozov, A.; Kruecken, R.; Ulrich, A.; Wieser, J.

    2006-01-01

    Side-view intensity profiles of fluorescent light were measured for neon and nitrogen excited with 12 keV electron beams at gas pressures from 250 to 1400 hPa. The intensity profiles were compared with theoretical profiles calculated using the CASINO program which performs Monte Carlo simulations of electron scattering. It was assumed that the spatial distribution of fluorescent intensity is directly proportional to the spatial distribution of energy loss by primary electrons. The comparison shows good correlation of experimental data and the results of numeric simulations

  8. Doping dependence of low-energy quasiparticle excitations in superconducting Bi2212.

    Science.gov (United States)

    Ino, Akihiro; Anzai, Hiroaki; Arita, Masashi; Namatame, Hirofumi; Taniguchi, Masaki; Ishikado, Motoyuki; Fujita, Kazuhiro; Ishida, Shigeyuki; Uchida, Shinichi

    2013-12-05

    : The doping-dependent evolution of the d-wave superconducting state is studied from the perspective of the angle-resolved photoemission spectra of a high-Tc cuprate, Bi2Sr2CaCu2 O8+δ (Bi2212). The anisotropic evolution of the energy gap for Bogoliubov quasiparticles is parametrized by critical temperature and superfluid density. The renormalization of nodal quasiparticles is evaluated in terms of mass enhancement spectra. These quantities shed light on the strong coupling nature of electron pairing and the impact of forward elastic or inelastic scatterings. We suggest that the quasiparticle excitations in the superconducting cuprates are profoundly affected by doping-dependent screening.

  9. Tangible and fungible energy: Hybrid energy market and currency system for total energy management. A Masdar City case study

    International Nuclear Information System (INIS)

    Sgouridis, Sgouris; Kennedy, Scott

    2010-01-01

    We propose the introduction of an energy-based parallel currency as a means to ease the transition to energy-conscious living. Abundant fossil energy resources mask the internal and external energy costs for casual energy consumers. This situation is challenging communities that draw a significant fraction of their primary energy consumption from renewable energy sources. The Masdar Energy Credit (MEC) system is a way of translating the fundamental aspects behind energy generation and usage into a tangible reality for all users with built-in fungibility to incentivize collectively sustainable behavior. The energy credit currency (ergo) corresponds with a chosen unit of energy so that the total amount of ergos issued equals the energy supply of the community. Ergos are distributed to users (residents, commercial entities, employees, and visitors) on a subscription basis and can be surrendered in exchange for the energy content of a service. A spot market pricing mechanism is introduced to relate ergos to 'fiat' currency using a continuously variable exchange rate to prevent depletion of the sustainable energy resource. The MEC system is intended to: (i) meet the sustainable energy balance targets of a community (ii) support peak shaving or load shifting goals, and (iii) raise energy awareness.

  10. High-energy double photoeffect and photoionization with excitation from 2 {sup 1}S and 2 {sup 3}S states of helium-like ions

    Energy Technology Data Exchange (ETDEWEB)

    Amusia, M.Ya. [The Racah Institute of Physics, Hebrew University, 91904 Jerusalem (Israel); A F Ioffe Physical-Technical Institute, 194921 St Petersburg (Russian Federation); Mikhailov, A.I.; Mikhailov, I.A. [St Petersburg Nuclear Physics Institute, Gatchina, 188350 St Petersburg (Russian Federation)

    1999-10-28

    Double ionization and ionization with excitation of helium-like ions with Z>>1 from 2 {sup 1}S and 2 {sup 3}S states on the absorption of a high-frequency photon have been considered. The analytical calculation is performed in the non-relativistic photon energy range in the lowest order of perturbation theory in the inter-electron interaction. Coulomb wavefunctions and the Coulomb Green function are used as a zeroth-order approximation. Differential and total cross sections of the processes are expressed via the corresponding values for the single photoionization. The photoelectron energy spectrum is obtained in the marginal energy range (i.e. for p{sub 1}>>p{sub 2}, p{sub 1} and p{sub 2} momenta of photoelectrons) for the double-ionization process. Simple relations between the cross sections of double ionization and ionization with excitation are derived. (author)

  11. Economics of total energy schemes in the liberalised European energy market

    Science.gov (United States)

    Lampret, Peter

    This thesis is concerned with the liberalisation of the European Energy markets and the affects this has had on total energy systems. The work concentrates on a number of case studies all of which are located in the area surrounding Gelsenkirchen - Bottrop - Gladbeck, the centre of the Ruhr region of Germany.The thesis describes briefly how the legislation of the parliament of the extended European Union has been interpreted and enacted into German legislation and its affects on production, transport, sales and customers. Primarily the legislation has been enacted to reduce energy costs by having a competitive market while enabling security of supply. The legislation whose development has accelerated since 1999 can lead to negative effects and these have been highlighted for the case studies chosen.The legislation and technological advances, each of them successful by themselves, do not provide the expected reduction of carbon dioxide emissions when applied to total energy system. The introduction of human behaviour as a missing link makes the problems evident and gives a theoretical basis to overcome these problems. The hypothesis is proven by eight detailed research projects and four concisely described ones.The base of the research is the experience gained on approximately 1,000 operation years of the simplest total energy system, that of centralised heating. This experience is transferred to different solutions for total energy systems and their economics in combination with the changing legislation and observation of human behaviour.The variety of topics of the case studies includes the production of heat by boiler, solar or combined heat and power and the use of fuel cells. Additionally the transfer of heat, at the place of demand is considered, either as an individual boiler in a building or as de-centralised district heating.The various results of these projects come together in a final project which covers four different heating systems in identical

  12. An analytical approach for predicting the energy capture and conversion by impulsively-excited bistable vibration energy harvesters

    Science.gov (United States)

    Harne, R. L.; Zhang, Chunlin; Li, Bing; Wang, K. W.

    2016-07-01

    Impulsive energies are abundant throughout the natural and built environments, for instance as stimulated by wind gusts, foot-steps, or vehicle-road interactions. In the interest of maximizing the sustainability of society's technological developments, one idea is to capture these high-amplitude and abrupt energies and convert them into usable electrical power such as for sensors which otherwise rely on less sustainable power supplies. In this spirit, the considerable sensitivity to impulse-type events previously uncovered for bistable oscillators has motivated recent experimental and numerical studies on the power generation performance of bistable vibration energy harvesters. To lead to an effective and efficient predictive tool and design guide, this research develops a new analytical approach to estimate the electroelastic response and power generation of a bistable energy harvester when excited by an impulse. Comparison with values determined by direct simulation of the governing equations shows that the analytically predicted net converted energies are very accurate for a wide range of impulse strengths. Extensive experimental investigations are undertaken to validate the analytical approach and it is seen that the predicted estimates of the impulsive energy conversion are in excellent agreement with the measurements, and the detailed structural dynamics are correctly reproduced. As a result, the analytical approach represents a significant leap forward in the understanding of how to effectively leverage bistable structures as energy harvesting devices and introduces new means to elucidate the transient and far-from-equilibrium dynamics of nonlinear systems more generally.

  13. Study of ionizing collisions involving excited states in a potassium-rubidium mixture at thermal energy

    International Nuclear Information System (INIS)

    Djerad, M.T.

    1987-01-01

    This study concerns mainly ionising collisions involving excited states in a saturated mixture of K-Rb vapours, at thermal energy. The experimental method consists into continuous resonant two steps laser excitation of the atoms (n ≤ 10) and mass spectrometry of ion currents. Radiative and collisional relaxation of the atoms create a complex medium. The most efficient collisional processes are Penning ionisation and Hornbeck-Molnar ionisation. In the heteronuclear system Rb(n1) + K(4P), the following exit channels may be operative: Rb(n1) + K(4P) → Rb + + e - + K Rb(n1) + K(4p) → K + + e - + Rb Rb(n1) + K(4P) → KRb + + e - . The measurements show that the first channel has an average cross section ∼ 10 -13 cm 2 . Those of the other channels are at least three orders of magnitude smaller and thus comparatively negligible. The data obtained from 5D to 10S allow to conclude that the flux in the entrance channel ionises at large separation between Rb(n1) and K(4P). The process of ionisation is dominated by polarisation forces, exchange forces being negligible. In the present mixture, Hornbeck-Molnar ionisation leads to homonuclear molecular ions K 2 + , Rb 2 + as well as the heteronuclear one KRb + . We have measured the rate coefficients for the systems: K(n1) + Rb → KRb + + e - Rb(n1) + K → KRb + + e - . The rate coefficients increase with the excitation energy of the level n1; they do not exhibit fundamental differences with those measured in pure alkali vapours [fr

  14. Explanation of the observed trend in the mean excitation energy of a target as determined using several projectiles

    International Nuclear Information System (INIS)

    Cabrera-Trujillo, R.; Sabin, J.R.; Oddershede, J.

    2003-01-01

    Recently, Porter observed [L.E. Porter, Int. J. Quantum Chem. 90, 684 (2002)] that the mean excitation energy and stopping cross section of a target, obtained from fitting experimental data at given projectile charge to a modified Bethe-Block theory, gives projectile dependent results. The main result of his work is that there is a trend for the inferred target mean excitation energy, to decrease as the projectile atomic number increases. However, this result is inconsistent with the usual definition of the mean excitation energy as a function of target excitation properties only. Here we present an explanation of Porter's results based on the Bethe theory extended to take projectile electronic structure explicitly into account

  15. Continuous emission, lowering of the ionization potential and total excitation cross-sections of an atmospheric thermal plasma

    NARCIS (Netherlands)

    Rosado, R.J.; Schram, D.C.; Leclair, J.

    1979-01-01

    The authors present a Partial LTE (PLTE) model in which the ground state is overpopulated with respect to the other excited states. The relative overpopulation of the ground state as a function of the electron temperature, T/sub e/, is fairly sensitive to small variations in both the transition

  16. Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals.

    Science.gov (United States)

    Velasco, A M; Lavín, C; Dolgounitcheva, O; Ortiz, J V

    2014-08-21

    Vertical excitation energies of the methyl and silyl radicals were inferred from ab initio electron propagator calculations on the electron affinities of CH3(+) and SiH3(+). Photoionization cross sections and angular distribution of photoelectrons for the outermost orbitals of both CH3 and SiH3 radicals have been obtained with the Molecular Quantum Defect Orbital method. The individual ionization cross sections corresponding to the Rydberg channels to which the excitation of the ground state's outermost electron gives rise are reported. Despite the relevance of methyl radical in atmospheric chemistry and combustion processes, only data for the photon energy range of 10-11 eV seem to be available. Good agreement has been found with experiment for photoionization cross section of this radical. To our knowledge, predictions of the above mentioned photoionization parameters on silyl radical are made here for the first time, and we are not aware of any reported experimental measurements. An analysis of our results reveals the presence of a Cooper minimum in the photoionization of the silyl radical. The adequacy of the two theoretical procedures employed in the present work is discussed.

  17. Energy Cascade from Internal Modes in Non-uniformly Stratified Fluid through Excitation of Superharmonic Disturbances

    Science.gov (United States)

    Sutherland, B. R.

    2016-02-01

    It is well established that two-dimensional internal plane waves and modes in uniformly stratified fluid efficiently transfer energy to smaller scale waves and ultimately turbulent mixing through parametric subharmonic instability (PSI). The numerical simulations of MacKinnon & Winters (GRL 2005) predicted PSI should act efficiently to disrupt the internal tide. However, while in situ observations showed the presence of PSI, it was not found to be appreciable. One reason for the discrepancy between simulations and observations is that the former examined an internal mode in uniformly stratified fluid whereas, in reality, the internal tide exists in non-uniform stratification and is manifest as sinusoidal oscillations of the thermocline. Through theory supported by numerical simulations, it is shown that internal modes in non-uniform stratification immediately excite superharmonics, not subharmonic disturbances. These have double the horizontal wavenumber and double the frequency of the parent mode and hence move with the same horizontal phase speed of the parent mode. As the disturbances grow in amplitude, however, they interact with the parent mode generating small-scale vertically propagating internal waves within the strongly stratified layer. The occurrence of PSI over very long times can occur, as in the simulations of Hazewinkel and Winters (JPO 2011). However, a comprehensive understanding of the energy cascade from the internal tide to small scales must consider the evolution of excited superharmonic disturbances.

  18. Excitation of high energy levels under laser exposure of suspensions of nanoparticles in liquids

    Energy Technology Data Exchange (ETDEWEB)

    Shafeev, G.A. [Wave Research Center of A.M. Prokhorov General Physics Institute, 38, Vavilov Street, 119991 Moscow (Russian Federation)], E-mail: shafeev@kapella.gpi.ru; Simakin, A.V. [Wave Research Center of A.M. Prokhorov General Physics Institute, 38, Vavilov Street, 119991 Moscow (Russian Federation); Bozon-Verduraz, F. [ITODYS, UMR CNRS 7086, Universite Paris 7-Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France); Robert, M. [Laboratoire d' Electrochimie Moleculaire, UMR CNRS 7591, Universite Paris 7 Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France)

    2007-12-15

    Laser exposure of suspensions of nanoparticles in liquids leads to excitation of high energy levels in both liquid and nanoparticle material. The emission spectrum of the colloidal solution under exposure of a suspension metallic nanoparticles in water to radiation of a Nd:YAG laser of a picosecond range of pulse duration is discussed. Excitation of nuclear energy levels and neutron release is experimentally studied on the model system of transmutation of Hg into Au that occurs under exposure of Hg nanodrops suspended in D{sub 2}O. The proposed mechanism involves: (i) emission of X-ray photons by Hg nanoparticles upon laser exposure, leading to neutron release from D{sub 2}O, (ii) initiation of Hg {yields} Au transmutation by the capture of neutrons. The effect of transmutation is more pronounced using {sup 196}Hg isotope instead of Hg of natural isotope composition. The influence of laser pulse duration on the degree of transmutation (from fs through ns range) is discussed.

  19. Ab initio theoretical calculations of the electronic excitation energies of small water clusters.

    Science.gov (United States)

    Tachikawa, Hiroto; Yabushita, Akihiro; Kawasaki, Masahiro

    2011-12-14

    A direct ab initio molecular dynamics method has been applied to a water monomer and water clusters (H(2)O)(n) (n = 1-3) to elucidate the effects of zero-point energy (ZPE) vibration on the absorption spectra of water clusters. Static ab initio calculations without ZPE showed that the first electronic transitions of (H(2)O)(n), (1)B(1)←(1)A(1), are blue-shifted as a function of cluster size (n): 7.38 eV (n = 1), 7.58 eV (n = 2) and 8.01 eV (n = 3). The inclusion of the ZPE vibration strongly affects the excitation energies of a water dimer, and a long red-tail appears in the range of 6.42-6.90 eV due to the structural flexibility of a water dimer. The ultraviolet photodissociation of water clusters and water ice surfaces is relevant to these results.

  20. Excitation energy and angular momentum dependence of the nuclear level densities

    International Nuclear Information System (INIS)

    Razavi, R.; Kakavand, T.; Behkami, A. N.

    2007-01-01

    We have investigated the excitation energy (E) dependence of nuclear level density for Bethe formula and constant temperature model. The level density parameter aa nd the back shifted energy from the Bethe formula are obtained by fitting the complete level schemes. Also the level density parameters from the constant temperature model have been determined for several nuclei. we have shown that the microscopic theory provides more precise information on the nuclear level densities. On the other hand, the spin cut-off parameter and effective moment of inertia are determined by studying of the angular momentum (J) dependence of the nuclear level density, and effective moment of inertia is compared with rigid body value.

  1. Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Olsen, Thomas; Engelund, Mads

    2008-01-01

    is a density-functional method closely resembling standard density-functional theory (DFT), the only difference being that in Delta SCF one or more electrons are placed in higher lying Kohn-Sham orbitals instead of placing all electrons in the lowest possible orbitals as one does when calculating the ground......-state energy within standard DFT. We extend the Delta SCF method by allowing excited electrons to occupy orbitals which are linear combinations of Kohn-Sham orbitals. With this extra freedom it is possible to place charge locally on adsorbed molecules in the calculations, such that resonance energies can...... be estimated, which is not possible in traditional Delta SCF because of very delocalized Kohn-Sham orbitals. The method is applied to N2, CO, and NO adsorbed on different metallic surfaces and compared to ordinary Delta SCF without our modification, spatially constrained DFT, and inverse...

  2. Excitation function of elastic scattering on 12C + 4He system, at low energies

    International Nuclear Information System (INIS)

    Perez-Torres, R.; Aguilera, E. F.; Martinez-Quiroz, E.; Murillo, G.; Belyaeva, T. L.; Maldonado-Velazquez, M.

    2011-01-01

    Interactions in the 12 C + 4 He system are of great interest in astrophysics and to help determine the relative abundances of elements in stars, at the end of helium burning [1, 2]. The Instituto Nacional de Investigaciones Nucleares (ININ) in Mexico, have made measurements of elastic scattering for this system, using the inverse kinematics method with thick white gas [3, 4], for E CM (0.5 - 4 MeV) θ CM = 180 o . In this work we obtain excitation functions of elastic scattering of 12 C + 4 He system with angular and energy dependence; E CM = 0.5 - 4 MeV and θ CM 100 o -170 o .Using inverse kinematics method with thick white gas and energy loss tables. (Author)

  3. Hybrid lead halide perovskites for light energy conversion: Excited state properties and photovoltaic applications

    Science.gov (United States)

    Manser, Joseph S.

    travel 220 nm over the course of 2 ns after photoexcitation, with an extrapolated diffusion length greater than one micrometer over the full excited state lifetime. The solution-processability of metal halide perovskites necessarily raises questions as to the properties of the solvated precursors and their connection to the final solid-state perovskite phase. Through structural and steady-state and time-resolved absorption studies, the important link between the excited state properties of the precursor components, composed of solvated and solid-state halometallate complexes, and CH3NH3PbI3 is evinced. This connection provides insight into optical nonlinearities and electronic properties of the perovskite phase. Fundamental studies of CH 3NH3PbI3 ultimately serve as a foundation for application of this and other related materials in high-performance devices. In the final chapter, the operation of CH3NH3PbI 3 solar cells in a tandem architecture is presented. The quest for economic, large scale hydrogen production has motivated the search for new materials and device designs capable of splitting water using only energy from the sun. In light of this, we introduce an all solution-processed tandem water splitting assembly composed of a BiVO4 photoanode and a single-junction CH3NH3PbI3 hybrid perovskite solar cell. This unique configuration allows efficient solar photon management, with the metal oxide photoanode selectively harvesting high energy visible photons and the underlying perovskite solar cell capturing lower energy visible-near IR wavelengths in a single-pass excitation. Operating without external bias under standard terrestrial one sun illumination, the photoanode-photovoltaic architecture, in conjunction with an earthabundant cobalt phosphate catalyst, exhibits a solar-to-hydrogen conversion efficiency of 2.5% at neutral pH. The design of low-cost tandem water splitting assemblies employing single-junction hybrid perovskite materials establishes a potentially

  4. The Total Energy Efficiency Index for machine tools

    International Nuclear Information System (INIS)

    Schudeleit, Timo; Züst, Simon; Weiss, Lukas; Wegener, Konrad

    2016-01-01

    Energy efficiency in industries is one of the dominating challenges of the 21st century. Since the release of the eco-design directive 2005/32/EC in 2005, great research effort has been spent on the energy efficiency assessment for energy using products. The ISO (International Organization for Standardization) standardization body (ISO/TC 39 WG 12) currently works on the ISO 14955 series in order to enable the assessment of energy efficient design of machine tools. A missing piece for completion of the ISO 14955 series is a metric to quantify the design of machine tools regarding energy efficiency based on the respective assembly of components. The metric needs to take into account each machine tool components' efficiency and the need-oriented utilization in combination with the other components while referring to efficiency limits. However, a state of the art review reveals that none of the existing metrics is feasible to adequately match this goal. This paper presents a metric that matches all these criteria to promote the development of the ISO 14955 series. The applicability of the metric is proven in a practical case study on a turning machine. - Highlights: • Study for pushing forward the standardization work on the ISO 14955 series. • Review of existing energy efficiency indicators regarding three basic strategies to foster sustainability. • Development of a metric comprising the three basic strategies to foster sustainability. • Metric application for quantifying the energy efficiency of a turning machine.

  5. Electron scattering by CO2: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy

    International Nuclear Information System (INIS)

    Thirumalai, D.; Onda, K.; Truhlar, D.G.

    1981-01-01

    Coupled-channels calculations based on an effective potential are presented for electron scattering by CO 2 at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent

  6. Secondary radiation dose during high-energy total body irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Janiszewska, M.; Raczkowski, M. [Lower Silesian Oncology Center, Medical Physics Department, Wroclaw (Poland); Polaczek-Grelik, K. [University of Silesia, Medical Physics Department, Katowice (Poland); Szafron, B.; Konefal, A.; Zipper, W. [University of Silesia, Department of Nuclear Physics and Its Applications, Katowice (Poland)

    2014-05-15

    The goal of this work was to assess the additional dose from secondary neutrons and γ-rays generated during total body irradiation (TBI) using a medical linac X-ray beam. Nuclear reactions that occur in the accelerator construction during emission of high-energy beams in teleradiotherapy are the source of secondary radiation. Induced activity is dependent on the half-lives of the generated radionuclides, whereas neutron flux accompanies the treatment process only. The TBI procedure using a 18 MV beam (Clinac 2100) was considered. Lateral and anterior-posterior/posterior-anterior fractions were investigated during delivery of 2 Gy of therapeutic dose. Neutron and photon flux densities were measured using neutron activation analysis (NAA) and semiconductor spectrometry. The secondary dose was estimated applying the fluence-to-dose conversion coefficients. The main contribution to the secondary dose is associated with fast neutrons. The main sources of γ-radiation are the following: {sup 56}Mn in the stainless steel and {sup 187}W of the collimation system as well as positron emitters, activated via (n,γ) and (γ,n) processes, respectively. In addition to 12 Gy of therapeutic dose, the patient could receive 57.43 mSv in the studied conditions, including 4.63 μSv from activated radionuclides. Neutron dose is mainly influenced by the time of beam emission. However, it is moderated by long source-surface distances (SSD) and application of plexiglass plates covering the patient body during treatment. Secondary radiation gives the whole body a dose, which should be taken into consideration especially when one fraction of irradiation does not cover the whole body at once. (orig.) [German] Die zusaetzliche Dosis durch sekundaere Neutronen- und γ-Strahlung waehrend der Ganzkoerperbestrahlung mit Roentgenstrahlung aus medizinischen Linearbeschleunigern wurde abgeschaetzt. Bei der Emission hochenergetischer Strahlen zur Teletherapie finden hauptsaechlich im Beschleuniger

  7. Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation.

    Science.gov (United States)

    Zeng, Qiao; Liang, WanZhen

    2015-10-07

    The time-dependent density functional theory (TDDFT) has become the most popular method to calculate the electronic excitation energies, describe the excited-state properties, and perform the excited-state geometric optimization of medium and large-size molecules due to the implementation of analytic excited-state energy gradient and Hessian in many electronic structure software packages. To describe the molecules in condensed phase, one usually adopts the computationally efficient hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) models. Here, we extend our previous work on the energy gradient of TDDFT/MM excited state to account for the mutual polarization effects between QM and MM regions, which is believed to hold a crucial position in the potential energy surface of molecular systems when the photoexcitation-induced charge rearrangement in the QM region is drastic. The implementation of a simple polarizable TDDFT/MM (TDDFT/MMpol) model in Q-Chem/CHARMM interface with both the linear response and the state-specific features has been realized. Several benchmark tests and preliminary applications are exhibited to confirm our implementation and assess the effects of different treatment of environmental polarization on the excited-state properties, and the efficiency of parallel implementation is demonstrated as well.

  8. A pair natural orbital implementation of the coupled cluster model CC2 for excitation energies.

    Science.gov (United States)

    Helmich, Benjamin; Hättig, Christof

    2013-08-28

    We demonstrate how to extend the pair natural orbital (PNO) methodology for excited states, presented in a previous work for the perturbative doubles correction to configuration interaction singles (CIS(D)), to iterative coupled cluster methods such as the approximate singles and doubles model CC2. The original O(N(5)) scaling of the PNO construction is reduced by using orbital-specific virtuals (OSVs) as an intermediate step without spoiling the initial accuracy of the PNO method. Furthermore, a slower error convergence for charge-transfer states is analyzed and resolved by a numerical Laplace transformation during the PNO construction, so that an equally accurate treatment of local and charge-transfer excitations is achieved. With state-specific truncated PNO expansions, the eigenvalue problem is solved by combining the Davidson algorithm with deflation to project out roots that have already been determined and an automated refresh with a generation of new PNOs to achieve self-consistency of the PNO space. For a large test set, we found that truncation errors for PNO-CC2 excitation energies are only slightly larger than for PNO-CIS(D). The computational efficiency of PNO-CC2 is demonstrated for a large organic dye, where a reduction of the doubles space by a factor of more than 1000 is obtained compared to the canonical calculation. A compression of the doubles space by a factor 30 is achieved by a unified OSV space only. Moreover, calculations with the still preliminary PNO-CC2 implementation on a series of glycine oligomers revealed an early break even point with a canonical RI-CC2 implementation between 100 and 300 basis functions.

  9. Targeting for energy efficiency and improved energy collaboration between different companies using total site analysis (TSA)

    International Nuclear Information System (INIS)

    Hackl, Roman; Andersson, Eva; Harvey, Simon

    2011-01-01

    Rising fuel prices, increasing costs associated with emissions of green house gases and the threat of global warming make efficient use of energy more and more important. Industrial clusters have the potential to significantly increase energy efficiency by energy collaboration. In this paper Sweden's largest chemical cluster is analysed using the total site analysis (TSA) method. TSA delivers targets for the amount of utility consumed and generated through excess energy recovery by the different processes. The method enables investigation of opportunities to deliver waste heat from one process to another using a common utility system. The cluster consists of 5 chemical companies producing a variety of products, including polyethylene (PE), polyvinyl chloride (PVC), amines, ethylene, oxygen/nitrogen and plasticisers. The companies already work together by exchanging material streams. In this study the potential for energy collaboration is analysed in order to reach an industrial symbiosis. The overall heating and cooling demands of the site are around 442 MW and 953 MW, respectively. 122 MW of heat is produced in boilers and delivered to the processes. TSA is used to stepwise design a site-wide utility system which improves energy efficiency. It is shown that heat recovery in the cluster can be increased by 129 MW, i.e. the current utility demand could be completely eliminated and further 7 MW excess steam can be made available. The proposed retrofitted utility system involves the introduction of a site-wide hot water circuit, increased recovery of low pressure steam and shifting of heating steam pressure to lower levels in a number heat exchangers when possible. Qualitative evaluation of the suggested measures shows that 60 MW of the savings potential could to be achieved with moderate changes to the process utility system corresponding to 50% of the heat produced from purchased fuel in the boilers of the cluster. Further analysis showed that after implementation

  10. Total energy analysis of nuclear and fossil fueled power plants

    International Nuclear Information System (INIS)

    Franklin, W.D.; Mutsakis, M.; Ort, R.G.

    1971-01-01

    The overall thermal efficiencies of electrical power generation were determined for Liquid Metal Fast Breeder, High Temperature Gas Cooled, Boiling Water, and Pressurized Water Reactors and for coal-, oil-, and gas-fired systems. All important energy consuming steps from mining through processing, transporting, and reprocessing the fuels were included in the energy balance along with electrical transmission and thermal losses and energy expenditures for pollution abatement. The results of these studies show that the overall fuel cycle efficiency of the light water nuclear fueled reactors is less than the efficiency of modern fossil fuel cycles. However, the nuclear fuel cycle based on the fast breeder reactors should produce power more efficiently than the most modern supercritical fossil fuel cycles. The high temperature gas cooled reactor has a cycle efficiency comparable to the supercritical coal fuel cycle

  11. Poynting Theorem, Relativistic Transformation of Total Energy-Momentum and Electromagnetic Energy-Momentum Tensor

    Science.gov (United States)

    Kholmetskii, Alexander; Missevitch, Oleg; Yarman, Tolga

    2016-02-01

    We address to the Poynting theorem for the bound (velocity-dependent) electromagnetic field, and demonstrate that the standard expressions for the electromagnetic energy flux and related field momentum, in general, come into the contradiction with the relativistic transformation of four-vector of total energy-momentum. We show that this inconsistency stems from the incorrect application of Poynting theorem to a system of discrete point-like charges, when the terms of self-interaction in the product {\\varvec{j}} \\cdot {\\varvec{E}} (where the current density {\\varvec{j}} and bound electric field {\\varvec{E}} are generated by the same source charge) are exogenously omitted. Implementing a transformation of the Poynting theorem to the form, where the terms of self-interaction are eliminated via Maxwell equations and vector calculus in a mathematically rigorous way (Kholmetskii et al., Phys Scr 83:055406, 2011), we obtained a novel expression for field momentum, which is fully compatible with the Lorentz transformation for total energy-momentum. The results obtained are discussed along with the novel expression for the electromagnetic energy-momentum tensor.

  12. On total cross sections and slopes at superhigh energies

    International Nuclear Information System (INIS)

    Eremyan, Sh.S.; Zhamkochyan, V.M.

    1985-01-01

    A comparative analysis of hadron-hadron interactions in theories with critical and supercritical pomerons is carried out. The main characteristics of binary interactions in both theories are shown practically to coincide to each other in the whole range of accessible energies. Also an analysis of characteristics of hadron-nuclei interactions is given in the framework of Reggeon field theory with critical and supercritical pomerons and multiple scattering theory. The results obtained agree with available experimental data on proton-nuclei interactions at superhigh energies

  13. Investigation of the energy-averaged double transition density of isoscalar monopole excitations in medium-heavy mass spherical nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Gorelik, M.L.; Shlomo, S. [National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation); Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Tulupov, B.A. [National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation); Institute for Nuclear Research, RAS, Moscow 117312 (Russian Federation); Urin, M.H., E-mail: urin@theor.mephi.ru [National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation)

    2016-11-15

    The particle–hole dispersive optical model, developed recently, is applied to study properties of high-energy isoscalar monopole excitations in medium-heavy mass spherical nuclei. The energy-averaged strength functions of the isoscalar giant monopole resonance and its overtone in {sup 208}Pb are analyzed. In particular, we analyze the energy-averaged isoscalar monopole double transition density, the key quantity in the description of the hadron–nucleus inelastic scattering, and studied the validity of the factorization approximation using semi classical and microscopic one body transition densities, respectively, in calculating the cross sections for the excitation of isoscalar giant resonances by inelastic alpha scattering.

  14. Inner-shell/subshell photoionization cross section measurements using a gamma excited variable energy X-ray source

    Energy Technology Data Exchange (ETDEWEB)

    Sood, B S; Allawadhi, K L; Arora, S K [Punjabi Univ., Patiala (India). Nuclear Science Labs.

    1982-02-15

    The method developed for the determination of K/L shell photoionization cross sections in various elements, 39 <= Z <= 92, in the characteristic X-ray energy region using a gamma excited variable energy X-ray source has been used for the measurement of Lsub(III) subshell photoionization cross section in Pb, Th and U. The measurements are made at the K X-ray energies of Rb, Nb and Mo, since these are able to excite selectively the Lsub(III) subshells of Pb, Th and U, respectively. The results, when compared with theoretical calculations of Scofield, are found to agree within the uncertainties of determination.

  15. Total-energy global optimizations using nonorthogonal localized orbitals

    International Nuclear Information System (INIS)

    Kim, J.; Mauri, F.; Galli, G.

    1995-01-01

    An energy functional for orbital-based O(N) calculations is proposed, which depends on a number of nonorthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical potential, determining the number of electrons. We show that the minimization of the functional with respect to overlapping localized orbitals can be performed so as to attain directly the ground-state energy, without being trapped at local minima. The present approach overcomes the multiple-minima problem present within the original formulation of orbital-based O(N) methods; it therefore makes it possible to perform O(N) calculations for an arbitrary system, without including any information about the system bonding properties in the construction of the input wave functions. Furthermore, while retaining the same computational cost as the original approach, our formulation allows one to improve the variational estimate of the ground-state energy, and the energy conservation during a molecular dynamics run. Several numerical examples for surfaces, bulk systems, and clusters are presented and discussed

  16. Crystal field and low energy excitations measured by high resolution RIXS at the L edge of Cu, Ni and Mn

    DEFF Research Database (Denmark)

    Ghiringhelli, G.; Piazzalunga, A.; Wang, X.

    2009-01-01

    of the 3d transition metals with unprecedented energy resolution, of the order of 100 meV for Mn, Ni and Cu. We present here some preliminary spectra on CuO, malachite, NiO, , MnO and . The dd excitations are very well resolved allowing accurate experimental evaluation of 3d state energy splitting. The low...

  17. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations

    NARCIS (Netherlands)

    van Meer, R.; Gritsenko, O.V.; Baerends, E.J.

    2014-01-01

    In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We

  18. Low-energy d-d excitations in MnO studied by resonant x-ray fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Butorin, S.M.; Guo, J.; Magnuson, M.

    1997-01-01

    Resonant soft X-ray emission spectroscopy has been demonstrated to possess interesting abilities for studies of electronic structure in various systems, such as symmetry probing, alignment and polarization dependence, sensitivity to channel interference, etc. In the present abstract the authors focus on the feasibility of resonant soft X-ray emission to probe low energy excitations by means of resonant electronic X-ray Raman scattering. Resonant X-ray emission can be regarded as an inelastic scattering process where a system in the ground state is transferred to a low excited state via a virtual core excitation. The energy closeness to a core excitation of the exciting radiation enhances the (generally) low probability for inelastic scattering at these wavelengths. Therefore soft X-ray emission spectroscopy (in resonant electronic Raman mode) can be used to study low energy d-d excitations in transition metal systems. The involvement of the intermediate core state allows one to use the selection rules of X-ray emission, and the appearance of the elastically scattered line in the spectra provides the reference to the ground state

  19. Low-energy d-d excitations in MnO studied by resonant x-ray fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Butorin, S.M.; Guo, J.; Magnuson, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Resonant soft X-ray emission spectroscopy has been demonstrated to possess interesting abilities for studies of electronic structure in various systems, such as symmetry probing, alignment and polarization dependence, sensitivity to channel interference, etc. In the present abstract the authors focus on the feasibility of resonant soft X-ray emission to probe low energy excitations by means of resonant electronic X-ray Raman scattering. Resonant X-ray emission can be regarded as an inelastic scattering process where a system in the ground state is transferred to a low excited state via a virtual core excitation. The energy closeness to a core excitation of the exciting radiation enhances the (generally) low probability for inelastic scattering at these wavelengths. Therefore soft X-ray emission spectroscopy (in resonant electronic Raman mode) can be used to study low energy d-d excitations in transition metal systems. The involvement of the intermediate core state allows one to use the selection rules of X-ray emission, and the appearance of the elastically scattered line in the spectra provides the reference to the ground state.

  20. Low energy total cross section of 36Ar

    International Nuclear Information System (INIS)

    Mughabghab, S.F.; Magurno, B.A.

    1975-01-01

    To compare the predictions of the valence model with measured partial radiative widths of 36 Ar an accurate knowledge of the bound-level parameters is required. This is achieved by carrying out a Breit-Wigner parameter fit to the total cross section of 36 Ar measured by Chrien et al and renormalized to the recommended values of the thermal capture and scattering cross sections. (1 figure, 1 table) (U.S.)

  1. Aspects of kinematical coincidence measurements of excitation energy division in damped reactions

    International Nuclear Information System (INIS)

    Toke, J.; Schroeder, W.U.; Huizenga, J.R.; Rochester Univ., NY

    1990-01-01

    It is shown that the finite resolution inherent in the kinematical coincidence method leads to systematic errors in the deduced (primary) physical quantities if the latter are calculated based on mass and linear momentum conservation equations alone. As an example, application of this method for measuring excitation energy of the fragments from damped reactions is reviewed. In such a case, finite resolution effects generate significant instrumental, or 'background' correlations between the physical quantities reconstructed in a straightforward fashion, hence, if not accounted for, they may lead to the qualitative misinterpretation of the data. Experimental measures are discussed which appear necessary in order to ensure proper accuracy of the finite resolution corrections. An alternative method of data analysis is presented which is much less susceptible to the finite resolution effects discussed. (orig.)

  2. Energy dispersive soft X-ray fluorescence analysis by radioisotopic α-particle excitation

    International Nuclear Information System (INIS)

    Robertson, R.

    1977-01-01

    A Si(Li) X-ray detector system and 210 Po α-particle excitation source are combined to form a spectrometer for low energy X-rays. Its response in terms of Ksub(α) X-ray rate is shown for thick targets of elements from fluorine to copper. Potential applications of the equipment to useful quantitative elemental analysis of geological, biological and organic materials are explored. The results of analyses for oxygen and silicon in rocks and potassium in vegetation samples are included. A semi-empirical method of correcting for absorption and enhancement effects is employed. This is based upon X-ray production and photon absorption cross-sections taken from the literature and upon a minimal number of experimentally derived coefficients. (Auth.)

  3. Formation of H{sub 2} from internally heated polycyclic aromatic hydrocarbons: Excitation energy dependence

    Energy Technology Data Exchange (ETDEWEB)

    Chen, T., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se; Gatchell, M.; Stockett, M. H.; Schmidt, H. T.; Cederquist, H.; Zettergren, H., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Delaunay, R.; Rousseau, P.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Université de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Domaracka, A.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Micelotta, E. R. [Université Paris Sud, Institut d’Astrophysique Spatiale, UMR 8617, 91405 Orsay (France); Tielens, A. G. G. M. [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands)

    2015-04-14

    We have investigated the effectiveness of molecular hydrogen (H{sub 2}) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H{sub 2} formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis also suggests that H{sub 2} emission is correlated with multi-fragmentation processes, which means that the [PAH-2H]{sup +} peak intensities in the mass spectra may not be used for estimating H{sub 2}-formation rates.

  4. Mean excitation energy of polystyrene extracted from proton-stopping-power measurements

    International Nuclear Information System (INIS)

    Porter, L.E.

    1980-01-01

    The measured stopping power of polystyrene for 2.2- to 5.9-MeV protons has been analyzed with the Bloch projectile-z 4 correction term and a modified low-velocity projectile-z 3 term included in the Bethe-Bloch formula. When the full-strength Walske K-shell correction was utilized, the mean excitation energy corresponding to the best fit of the measurements was (71.1 +- 1.8) eV. This result was obtained for a value of the free parameter of the low-velocity projectile-z 3 effect formalism of 1.90 +- 0.05, whether or not a Walske L-shell correction was included

  5. Ab initio configuration interaction description of excitation energy transfer between closely packed molecules

    International Nuclear Information System (INIS)

    Fink, R.F.; Pfister, J.; Schneider, A.; Zhao, H.; Engels, B.

    2008-01-01

    We present new, generally applicable protocols for the computation of the coupling parameter, J, of excitation energy transfer with quantum chemical ab initio methods. The protocols allow to select the degree of approximation and computational demand such that they are applicable for realistic systems and still allow to control the quality of the approach. We demonstrate the capabilities of the different protocols using the CO dimer as a first example. Correlation effects are found to scale J by a factor of about 0.7 which is in good agreement to earlier results obtained for the ethene dimer. The various levels of the protocol allow to assess the influence of ionic configurations and the polarisation within the dimer. Further, the interplay between the Foerster and Dexter contribution to J is investigated. The computations also show error compensation within approximations that are widely used for extended systems as in particular the transition density cube method

  6. Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces

    International Nuclear Information System (INIS)

    Barbatti, M.; Paier, J.; Lischka, H.

    2004-01-01

    Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of reference spaces for the MR-CISD calculations have been investigated. The crossing seam between the S 0 and S 1 states has been explored in detail. This seam connects all conical intersections presently known for ethylene. Major emphasis has been laid on the hydrogen-migration path. Starting in the V state of twisted-orthogonal ethylene, a barrierless path to ethylidene was found. The feasibility of ethylidene formation will be important for the explanation of the relative yield of cis and trans H 2 elimination

  7. Excitation energy deactivation funnel in 3-substituted BODIPY-porphyrin conjugate

    International Nuclear Information System (INIS)

    Nguyen, Nguyen Tran; Verbelen, Bram; Leen, Volker; Waelkens, Etienne; Dehaen, Wim; Kruk, Mikalai

    2016-01-01

    BODIPYs absorb in the visible region which is complementary to that of porphyrins and therefore can be suggested as promising antenna groups to improve the light-harvesting potential of porphyrins. A boron-dipyrromethene dye was combined at the 3-position with a Zn-porphyrin to afford a conjugate. The fluorescence of the conjugate was found to originate from the BODIPY moiety independently of the excitation wavelength due to an unique set of energy transfer rates between the BODIPY and Zn-porphyrin moieties. The fluorescence intensity was shown to be tunable over a wide range using the solvent properties. This feature makes the studied BODIPY-porphyrin conjugate a promising compound for the design of new photochromic devices.

  8. Nuclei far from stability. Individual and collective excitations at low energy

    International Nuclear Information System (INIS)

    Meyer, M.

    1984-01-01

    The low energy structure of exotic nuclei is discussed in terms of self-consistent microscopic models. The experimental striking features of the spectroscopy of these nuclei are briefly surveyed and the schematic steps performed to obtain from effective N-N interactions their spectroscopic properties are presented. Their saturation and deformation properties are given by the Hartree-Fock approximation (HF). Then it is shown how to describe the dynamics of even-even exotic nuclei excited states by solving the complete Bohr Hamiltonian, built microscopically using the HF approximation and the adiabatic limit (and its derivatives) of the time-dependent HF approximation (ATDHF). The structure of odd and doubly odd nuclei is discussed in the framework of the unified model, ie the microscopic rotor + quasiparticles model. Finally possible future directions of experimental research concerning exotic nuclei are described and improvements or new theoretical approaches discussed [fr

  9. Study on germ toxicity of exciting energy resource 147Pm of fluorescent paint

    International Nuclear Information System (INIS)

    Zhu Shoupeng; Lun Minyue; Tao Feng

    1993-02-01

    The germ toxicity of exciting energy resource 147 Pm of fluorescent paint was studied. It was shown that the placenta was a barrier for 147 Pm entering into the fetus. The retention T 1/2 was 105 days in testes. The retention value of 147 Pm in testis was high and hardly to excrete. The results showed that 147 Pm can induce abnormal sperms, most of them were non-hock sperms. The chromosome aberrations in germ cells also can be induced. Among the type of chromosome aberrations of spermatogonia, chromatid breakage was predominant. The 147 Pm can cause the chromosome fragment and translocations of primary spermatocytes, and increasing of lethality. The dominant skeletal aberrations in offspring is proportional to the accumulated radioactivity of 147 Pm in tests

  10. Excitation energy deactivation funnel in 3-substituted BODIPY-porphyrin conjugate

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Nguyen Tran [Chemistry Department, University of Education, The University of DaNang, Ton Duc Thang 459, Da Nang (Viet Nam); Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Verbelen, Bram; Leen, Volker [Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Waelkens, Etienne [Department of Cellular and Molecular Medicine, KU Leuven, Herestraat 49, Box 901, 3000 Leuven (Belgium); Dehaen, Wim, E-mail: wim.dehaen@kuleuven.be [Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Kruk, Mikalai, E-mail: m.kruk@belstu.by [Belarusian State Technological University, Physics Department, Sverdlov Str., 13a, Minsk 220006 (Belarus)

    2016-11-15

    BODIPYs absorb in the visible region which is complementary to that of porphyrins and therefore can be suggested as promising antenna groups to improve the light-harvesting potential of porphyrins. A boron-dipyrromethene dye was combined at the 3-position with a Zn-porphyrin to afford a conjugate. The fluorescence of the conjugate was found to originate from the BODIPY moiety independently of the excitation wavelength due to an unique set of energy transfer rates between the BODIPY and Zn-porphyrin moieties. The fluorescence intensity was shown to be tunable over a wide range using the solvent properties. This feature makes the studied BODIPY-porphyrin conjugate a promising compound for the design of new photochromic devices.

  11. Excited baryon form-factors at high momentum transfer at CEBAF at higher energies

    Energy Technology Data Exchange (ETDEWEB)

    Stoler, P. [Rensselaer Polytechnic Inst., Troy, NY (United States)

    1994-04-01

    The possibilities of measuring the properties of excited nucleons at high Q{sup 2} by means of exclusive single meson production at CEBAF with an electron energy of 8 GeV is considered. The motivation is to access short range phenomena in baryon structure, and to investigate the transition from the low Q{sup 2} non-perturbative QCD regime, where constituent quark models are valid, to higher Q{sup 2} where it is believed perturbative QCD plays an increasingly important role. It is found that high quality baryon decay angular distributions can be obtained for the most prominent states up to Q{sup 2} {approximately} 12 GeV{sup 2}/c{sup 2} using a set of moderate resolution, large solid angle magnetic spectrometers.

  12. Energy levels of the single excited states in NaI and Na-like ions

    International Nuclear Information System (INIS)

    El-Sherbini, T.M.; Wahby, A.S.

    1987-08-01

    Energy levels of the single excited 1s 2 2s 2 2p 6 ns( 2 S), 1s 2 2s 2 2p 6 mp( 2 P), 1s 2 2s 2 2p 6 md( 2 D) and 1s 2 2s 2 2p 6 nf( 2 F); n=4-7, m=3-6 states for NaI and Na-like ions are calculated using the one configuration Hartree-Fock method. Good agreement is obtained between our results for the higher members of the NaI sequence and previous data from photo-absorption and beam foil experiments. (author). 11 refs, 3 figs, 9 tabs

  13. Ab initio configuration interaction description of excitation energy transfer between closely packed molecules

    Energy Technology Data Exchange (ETDEWEB)

    Fink, R.F. [University of Wuerzburg, Institute of Organic Chemistry, Am Hubland, D-97074 Wuerzburg (Germany)], E-mail: reinhold.fink@rub.de; Pfister, J.; Schneider, A.; Zhao, H.; Engels, B. [University of Wuerzburg, Institute of Organic Chemistry, Am Hubland, D-97074 Wuerzburg (Germany)

    2008-01-29

    We present new, generally applicable protocols for the computation of the coupling parameter, J, of excitation energy transfer with quantum chemical ab initio methods. The protocols allow to select the degree of approximation and computational demand such that they are applicable for realistic systems and still allow to control the quality of the approach. We demonstrate the capabilities of the different protocols using the CO dimer as a first example. Correlation effects are found to scale J by a factor of about 0.7 which is in good agreement to earlier results obtained for the ethene dimer. The various levels of the protocol allow to assess the influence of ionic configurations and the polarisation within the dimer. Further, the interplay between the Foerster and Dexter contribution to J is investigated. The computations also show error compensation within approximations that are widely used for extended systems as in particular the transition density cube method.

  14. Piezoelectric Wind Energy Harvesting from Self-Excited Vibration of Square Cylinder

    Directory of Open Access Journals (Sweden)

    Junlei Wang

    2016-01-01

    Full Text Available Self-excited vibration of a square cylinder has been considered as an effective way in harvesting piezoelectric wind energy. In present work, both of the vortex-induced vibration and unstable galloping phenomenon process are investigated in a reduced velocity (Ur=U/ωn·D range of 4≤Ur≤20 with load resistance ranging in 100 Ω≤R≤1 MΩ. The vortex-induced vibration covers presynchronization, synchronization, and postsynchronization branches. An aeroelectromechanical model is given to describe the coupling of the dynamic equation of the fluid-structure interaction and the equation of Gauss law. The effects of load resistance are investigated in both the open-circuit and close-circuit system by a linear analysis, which covers the parameters of the transverse displacement, aerodynamic force, output voltage, and harvested power utilized to measure the efficiency of the system. The highest level of the transverse displacement and the maximum value of harvested power of synchronization branch during the vortex-induced vibration and galloping are obtained. The results show that the large-amplitude galloping at high wind speeds can generate energy. Additionally, energy can be harvested by utilization of the lock-in phenomenon of vortex-induced vibration under low wind speed.

  15. High-sensitivity measurements of the excitation function for Bhabha scattering at MeV energies

    International Nuclear Information System (INIS)

    Tsertos, H.; Kozhuharov, C.; Armbruster, P.; Kienle, P.; Krusche, B.; Schreckenbach, K.

    1989-02-01

    Using a monochromatic e + beam scattered on a Be foil and a high-resolution detector device, the excitation function for elastic e + e - scattering was measured with a statistical accuracy of 0.25% in 1.4 keV steps in the c.m.-energy range between 770 keV and 840 keV (1.79 - 1.86 MeV/c 2 ) at c.m. scattering angles between 80 0 and 100 0 (FWHM). Within the experimental sensitivity of 0.5 b.eV/sr (c.m.) for the energy-integrated differential cross section no resonances were observed (97% CL). From this limit we infer that a hypothetical spinless resonant state should have a width of less than 1.9 meV corresponding to a lifetime limit of 3.5x10 -13 s. This limit establishes the most stringent bound for new particles in this mass range derived from Bhabha scattering and is independent of assumptions about the internal structure of the hypothetical particles. Less sensitivite limits were, in addition, derived around 520 keV c.m. energy (≅ 1.54 MeV/c 2 ) from an investigation with a thorium and a mylar foil as scatterers. (orig.)

  16. Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

    Science.gov (United States)

    Wladyslawski, Mark; Nooijen, Marcel

    The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit

  17. Measurement and analysis of excitation functions in 16O + 103Rh system in the excitation energy range ≅ 2-4 MeV/A

    International Nuclear Information System (INIS)

    Singh, Devendra P.; Unnati; Sharma, Manoj Kumar; Singh, Pushpendra P.; Singh, B.P.; Prasad, R.; Gupta, Sunita; Rakesh Kumar; Bhardwaj, H.D.

    2006-01-01

    In the present work, excitation functions for seven evaporation residues (ERs) produced via complete fusion and incomplete fusion processes in 16 O + 103 Rh system have been measured in the energy range ≅ 47-85 MeV, using recoil catcher technique followed by off-line gamma-ray spectrometry. Comparison of the experimental data with statistical model based computer code PACE 2 revealed dominance of incomplete fusion in reactions involving alpha-emission channels. To the best of our knowledge these reactions are being reported for the first time

  18. Energy cascades, excited state dynamics, and photochemistry in cob(III)alamins and ferric porphyrins.

    Science.gov (United States)

    Rury, Aaron S; Wiley, Theodore E; Sension, Roseanne J

    2015-03-17

    Porphyrins and the related chlorins and corrins contain a cyclic tetrapyrrole with the ability to coordinate an active metal center and to perform a variety of functions exploiting the oxidation state, reactivity, and axial ligation of the metal center. These compounds are used in optically activated applications ranging from light harvesting and energy conversion to medical therapeutics and photodynamic therapy to molecular electronics, spintronics, optoelectronic thin films, and optomagnetics. Cobalt containing corrin rings extend the range of applications through photolytic cleavage of a unique axial carbon-cobalt bond, permitting spatiotemporal control of drug delivery. The photochemistry and photophysics of cyclic tetrapyrroles are controlled by electronic relaxation dynamics including internal conversion and intersystem crossing. Typically the electronic excitation cascades through ring centered ππ* states, ligand to metal charge transfer (LMCT) states, metal to ligand charge transfer (MLCT) states, and metal centered states. Ultrafast transient absorption spectroscopy provides a powerful tool for the investigation of the electronic state dynamics in metal containing tetrapyrroles. The UV-visible spectrum is sensitive to the oxidation state, electronic configuration, spin state, and axial ligation of the central metal atom. Ultrashort broadband white light probes spanning the range from 270 to 800 nm, combined with tunable excitation pulses, permit the detailed unravelling of the time scales involved in the electronic energy cascade. State-of-the-art theoretical calculations provide additional insight required for precise assignment of the states. In this Account, we focus on recent ultrafast transient absorption studies of ferric porphyrins and corrin containing cob(III)alamins elucidating the electronic states responsible for ultrafast energy cascades, excited state dynamics, and the resulting photoreactivity or photostability of these compounds. Iron

  19. Solar total energy-large scale experiment, Shenandoah, Georgia

    Science.gov (United States)

    Hensley, W. R.

    1980-01-01

    The design and development of a 7 meter diameter parabolic dish solar collector are discussed. Each of the four main subsystems of the collector: (1) reflector, (2) mount and drives, (3) receiver and (4) the controls, is discussed briefly with the major emphasis on the receiver design. To minimize development risks and production costs, a dish design based on use of stamped aluminum petals (sectors) was chosen. This design is similar to the design of a communication antenna already commercially produced. The reflective surface of the petals has a total reflectance of .86 and a specularity (dispersion) of 8 mrd. This performance is obtained by mechanical polishing and chemical brightening of the petal surface, followed by application of a clear RTV silicone protective coating. Selection of the material and weather proofing coated are discussed. Results from performance tests on an engineering development dish collector are presented and compared with pretest predictions.

  20. Charge transfer and excitation in high-energy ion-atom collisions

    International Nuclear Information System (INIS)

    Schlachter, A.S.; Berkner, K.H.; McDonald, R.J.

    1986-11-01

    Coincidence measurements of charge transfer and simultaneous projectile electron excitation provide insight into correlated two-electron processes in energetic ion-atom collisions. Projectile excitation and electron capture can occur simultaneously in a collision of a highly charged ion with a target atom; this process is called resonant transfer and excitation (RTE). The intermediate excited state which is thus formed can subsequently decay by photon emission or by Auger-electron emission. Results are shown for RTE in both the K shell of Ca ions and the L shell of Nb ions, for simultaneous projectile electron loss and excitation, and for the effect of RTE on electron capture

  1. Intensities of two-quanta cascades at different excitation energies of compound nuclei 146Nd, 174Yb, 183W

    International Nuclear Information System (INIS)

    Boneva, S.T.; Khitrov, V.A.; Sukhovoj, A.M.; Vojnov, A.V.

    1990-01-01

    Intensities of two-quanta cascades are obtained for 2-3 final low-lying levels of the following nuclei 146 Nd, 174 Yb and 183 W. These measured intensities are compared with the intensities calculated in the frame of various models at primary transition energies ranging from 0.5 MeV to the neutron binding energy. Some excitation energy intervals are revealed, experimentally obtained intensities of cascade are inconsistent with model calculations. 15 refs.; 7 figs

  2. Ab initio calculations of dissociative excitation of water and methane molecules upon electron impact at low energies

    International Nuclear Information System (INIS)

    Gil, T.J.; McCurdy, C.W.; Rescigno, T.N.; Lengsfield, B.H. III

    1994-01-01

    The authors are reporting results of ab-initio calculations of electron-impact excitation of water and methane occurring at scattering energies up to 60 eV. The authors consider dissociative excited states of both systems since the understanding of their chemistry has considerable importance in plasma technology and atmospheric research. In the case of methane the authors are dealing with the promotion of a valence electron into Rydberg orbitals, while in water the excited states have one electron in an antibonding unoccupied valence orbital and support Feshbach resonances. The authors discuss issues related to convergence of the close-coupling expansion in the case of Rydberg excitation, where the authors have coupled up to 16 channels. The practical realization of the calculation within the framework of the complex Kohn variational principle represents merging of quantum chemistry and quantum scattering theory and is also discussed

  3. Excitation energy partition in deeply inelastic collisions between 40Ar and Ag at 27 MeV per nucleon

    International Nuclear Information System (INIS)

    Borderie, B.; Rivet, M.F.; Cabot, C.; Fuchs, H.; Gardes, D.; Hanappe, F.; Jouan, D.; Montoya, M.

    1991-01-01

    The dynamics of the two partners produced in dissipative collisions has been experimentally studied for the system 40 Ar+Ag at 27 MeV per nucleon. Primary masses of the fragments can then be calculated; the excitation energy partition between the two fragments is derived from the number of particles evaporated by each fragment. We found that this division evolves from equipartition to a repartition close to thermal equilibrium in the excitation energy range 300-350 MeV or interaction times 5-10x10 -22 s. (orig.)

  4. A constrained optimization algorithm for total energy minimization in electronic structure calculations

    International Nuclear Information System (INIS)

    Yang Chao; Meza, Juan C.; Wang Linwang

    2006-01-01

    A new direct constrained optimization algorithm for minimizing the Kohn-Sham (KS) total energy functional is presented in this paper. The key ingredients of this algorithm involve projecting the total energy functional into a sequence of subspaces of small dimensions and seeking the minimizer of total energy functional within each subspace. The minimizer of a subspace energy functional not only provides a search direction along which the KS total energy functional decreases but also gives an optimal 'step-length' to move along this search direction. Numerical examples are provided to demonstrate that this new direct constrained optimization algorithm can be more efficient than the self-consistent field (SCF) iteration

  5. Identification of an isomer in 110Ag at 1-keV excitation energy

    International Nuclear Information System (INIS)

    Clark, D.D.; Kostroun, V.O.; Siems, N.E.

    1975-01-01

    The existence of a new isomeric state in 110 Ag at approx. 1 keV excitation has been established in two experiments using a new instrument, the inner-shell-vacancy (ISV) detector. In the first experiment, a transition with a half-life of 660 plus-or-minus 40 ns was observed to follow the well-known 116-keV M4 transition that depopulates the 6 + 250-day isomeric level in 110 Ag; the energy of the new transition was deduced to be 109 Ag(n, γ) 110 Ag reaction to follow γ transitions previously assigned by others to populate a 1-keV excited state. The two results indicate the existence of a 2 - 660-ns isomer at 1.11 keV. Under the assumption that the newly observed transition is from a 2 - 1.11-keV state to the 1 + ground state, its hindrance factor with respect to the Moszkowski estimate is approx. 2.6 times 10 3 . Possible chemical-state perturbations of the measured half-life are estimated to be much smaller than the measurement error. In both experiments the approx. 1-keV transition was detected with the ISV detector, a new device based on the well-established atomic effect that within approx. 10 -14 s after the formation of an inner shell vacancy an atom will undergo a multiple loss of []lectrons ranging from several to 20 or more, the number being a function of Z and subshell. The emitted electrons, which are very soft, are collected with an accelerating and focusing electrostatic lens and detected with a plastic scintillator and a photomultiplier tube. Nuclear transitions that cause ISVs can thus be sensed. Experiments are described that show the detector is fast, sensitive, selective, and efficient in responding to ISVs.

  6. Principal component analysis acceleration of rovibrational coarse-grain models for internal energy excitation and dissociation

    Science.gov (United States)

    Bellemans, Aurélie; Parente, Alessandro; Magin, Thierry

    2018-04-01

    The present work introduces a novel approach for obtaining reduced chemistry representations of large kinetic mechanisms in strong non-equilibrium conditions. The need for accurate reduced-order models arises from compression of large ab initio quantum chemistry databases for their use in fluid codes. The method presented in this paper builds on existing physics-based strategies and proposes a new approach based on the combination of a simple coarse grain model with Principal Component Analysis (PCA). The internal energy levels of the chemical species are regrouped in distinct energy groups with a uniform lumping technique. Following the philosophy of machine learning, PCA is applied on the training data provided by the coarse grain model to find an optimally reduced representation of the full kinetic mechanism. Compared to recently published complex lumping strategies, no expert judgment is required before the application of PCA. In this work, we will demonstrate the benefits of the combined approach, stressing its simplicity, reliability, and accuracy. The technique is demonstrated by reducing the complex quantum N2(g+1Σ) -N(S4u ) database for studying molecular dissociation and excitation in strong non-equilibrium. Starting from detailed kinetics, an accurate reduced model is developed and used to study non-equilibrium properties of the N2(g+1Σ) -N(S4u ) system in shock relaxation simulations.

  7. Rate for energy transfer from excited cyclohexane to nitrous oxide in the liquid phase

    International Nuclear Information System (INIS)

    Wada, T.; Hatano, Y.

    1975-01-01

    Pure liquid cyclohexane and cyclohexane solutions of nitrous oxide have been photolyzed at 163 nm. The quantum yield of the product hydrogen in the photolysis of pure cyclohexane is found to be 1.0. The addition of nitrous oxide results in the reduction in the yield of hydrogen and in the formation of nitrogen. The decrement of the hydrogen yield is approximately equal to the increment of the nitrogen yield. About 40 percent of the hydrogen yield in pure cyclohexane is found to be produced through a path which is not affected by the addition of nitrous oxide. The effect of the addition of nitrous oxide is attributed to energy transfer from excited cyclohexane to nitrous oxide with the rate constant of k = 1.0 x 10 11 M -1 sec -1 (at 15 0 C). This value is about a factor of 10 larger than that expected as for diffusion-controlled rate. A contribution of the energy transfer process to the formation of nitrogen in the radiolysis of cyclohexane solutions of nitrous oxide has also been discussed. (auth)

  8. Power Management of Islanded Self-Excited Induction Generator Reinforced by Energy Storage Systems

    Directory of Open Access Journals (Sweden)

    Nachat N. Nasser

    2018-02-01

    Full Text Available Self-Excited Induction Generators (SEIGs, e.g., Small-Scale Embedded wind generation, are increasingly used in electricity distribution networks. The operational stability of stand-alone SEIG is constrained by the local load conditions: stability can be achieved by maintaining the load’s active and reactive power at optimal values. Changes in power demand are dependent on customers’ requirements, and any deviation from the pre-calculated optimum setting will affect a machine’s operating voltage and frequency. This paper presents an investigation of the operation of the SEIG in islanding mode of operation under different load conditions, with the aid of batteries as an energy storage source. In this research a current-controlled voltage-source converter is proposed to regulate the power exchange between a direct current (DC energy storage source and an alternating current (AC grid, the converter’s controller is driven by any variation between machine capability and load demand. In order to prolong the system stability when the battery reaches its operation constraints, it is recommended that an ancillary generator and a dummy local load be embedded in the system. The results show the robustness and operability of the proposed system in the islanding mode of the SEIG under different load conditions.

  9. General theory of excitation energy transfer in donor-mediator-acceptor systems.

    Science.gov (United States)

    Kimura, Akihiro

    2009-04-21

    General theory of the excitation energy transfer (EET) in the case of donor-mediator-acceptor system was constructed by using generalized master equation (GME). In this theory, we consider the direct and indirect transitions in the EET consistently. Hence, our theory includes the quantum mechanical interference between the direct and indirect transitions automatically. Memory functions in the GME were expressed by the overlap integrals among the time-dependent emission spectrum of the donor, the absorption spectrum of the mediator, the time-dependent emission spectrum of the mediator, and the absorption spectrum of the acceptor. In the Markov limit of the memory functions, we obtained the rate of EET which consists of three terms due to the direct transition, the indirect transition, and the interference between them. We found that the interference works effectively in the limit of slow thermalization at the intermediate state. The formula of EET rate in this limit was expressed by the convolution of the EET interaction and optical spectra. The interference effect strongly depends on the width of the absorption spectrum of mediator molecule and the energy gap between the donor and the mediator molecules.

  10. Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant.

    Science.gov (United States)

    Bose, Samik; Chakrabarty, Suman; Ghosh, Debashree

    2016-05-19

    Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for ∼0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores.

  11. A coherent modified Redfield theory for excitation energy transfer in molecular aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Hwang-Fu, Yu-Hsien; Chen, Wei; Cheng, Yuan-Chung, E-mail: yuanchung@ntu.edu.tw

    2015-02-02

    Highlights: • A CMRT method for coherent energy transfer in molecular aggregates was developed. • Applicability of the method was verified in two-site systems with various parameters. • CMRT accurately describes population dynamics in the FMO-complex. • The method is accurate in a large parameter space and computationally efficient. - Abstract: Excitation energy transfer (EET) is crucial in photosynthetic light harvesting, and quantum coherence has been recently proven to be a ubiquitous phenomenon in photosynthetic EET. In this work, we derive a coherent modified Redfield theory (CMRT) that generalizes the modified Redfield theory to treat coherence dynamics. We apply the CMRT method to simulate the EET in a dimer system and compare the results with those obtained from numerically exact path integral calculations. The comparison shows that CMRT provides excellent computational efficiency and accuracy within a large EET parameter space. Furthermore, we simulate the EET dynamics in the FMO complex at 77 K using CMRT. The results show pronounced non-Markovian effects and long-lasting coherences in the ultrafast EET, in excellent agreement with calculations using the hierarchy equation of motion approach. In summary, we have successfully developed a simple yet powerful framework for coherent EET dynamics in photosynthetic systems and organic materials.

  12. YIELDS OF IONS AND EXCITED STATES IN NONPOLAR LIQUIDS EXPOSED TO X-RAYS OF 1 TO 30 KEV ENERGY

    International Nuclear Information System (INIS)

    HOLROYD, R.A.

    1999-01-01

    When x-rays from a synchrotron source are absorbed in a liquid, the x-ray energy (E x ) is converted by the photoelectric effect into the kinetic energy of the electrons released. For hydrocarbons, absorption by the K-electrons of carbon dominates. Thus the energy of the photoelectron (E pe ) is E x -E b , where E b is the K-shell binding energy of carbon. Additional electrons with energy equal to E b is released in the Auger process that fills the hole in the K-shell. These energetic electrons will produce many ionizations, excitations and products. The consequences of the high density of ionizations and excitations along the track of the photoelectron and special effects near the K-edge are examined here

  13. Effects of Isospin on Pre-scission Particle Multiplicity of Heavy Systems and Its Excitation Energy Dependence

    Institute of Scientific and Technical Information of China (English)

    YE Wei; CHEN Na

    2004-01-01

    Isospin effects on particle emission of fissioning isobaric sources 202Fr, 202po, 202Tl and isotopic sources 189,202,212Po, and its dependence on the excitation energy are studied via Smoluchowski equations. It is shown that with increasing the isospin of fissioning systems, charged-particle emission is not sensitive to the strength of nuclear dissipation. In addition, we have found that increasing the excitation energy not only increases the influence of nuclear dissipation on particle emission but also greatly enhances the sensitivity of the emission of pre-scission neutrons or charged particles to the isospin of the system. Therefore, in order to extract dissipation strength more accurately by taking light particle multiplicities it is important to choose both a highly excited compound nucleus and a proper kind of particles for systems with different isospins.

  14. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    Science.gov (United States)

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2015-12-14

    We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

  15. Statistical properties of kinetic and total energy densities in reverberant spaces

    DEFF Research Database (Denmark)

    Jacobsen, Finn; Molares, Alfonso Rodriguez

    2010-01-01

    Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete....... With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically...... positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high...

  16. X-ray yields by low energy heavy ion excitation in alkali halide solid targets

    International Nuclear Information System (INIS)

    Kurup, M.B.; Prasad, K.G.; Sharma, R.P.

    1981-01-01

    Solid targets of the alkali halides KCl, NaCl and KBr are bombarded with ion beams of 35 Cl + , 40 Ar + and 63 Cu + in the energy range 165 keV to 320 keV. The MO and characteristic K X-ray yields resulting from the ion-atom collision have been systematically studied. Both MO and Cl K X-ray yields are enhanced by factors 3.5 and 2 respectively in KCl targets as compared to that in NaCl when bombarded with either Cl + or Ar + projectiles. An intercomparison of MO and K X-ray yields for a given projectile-target combination has shown that the latter increases ten times faster than the former as the energy of the projectile is increased from 165 to 320 keV indicating a correspondingly stronger velocity dependence of the K X-ray production process. The X-ray yields observed in the symmetric Cl-Cl collision are identical to those observed in the asymmetric Ar-Cl collision for the same projectile velocities in both KCl and NaCl targets. It is inferred that the multiple ionization of the projectile resulting in an increase in the binding energy of its inner shells offsets the expected enhancement in the X-ray yields in a symmetric collision. The same projectiles, Ar or Cl, incident on KBr targets have produced only Br L X-rays. Using substantially heavier projectiles than the target atoms (Na, K and Cl), like 63 Cu + ions, the inner shell excitation by recoiling atoms is shown. (orig.)

  17. Theoretical Study of the Relationships between Excited State Geometry Changes and Emission Energies of Oxyluciferin

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhong Wei; Min, Chun Gang; Ren, Ai Min; Feng, Ji Kang [Jilin University, Changchun (China); Guo, Jing Fu [Northeast Normal University, Jilin (China); Goddard, John D. [University of Guelph, Ontario (Canada); Zuo, Liang [North China Mineral and Geology Testing Center of CNNC, Tianjin (China)

    2010-04-15

    In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) and time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the excited substrate are important in determining the emission spectra. Analysis of these bonds suggests the mechanism whereby luciferases restrict more or less the excited substrate geometries and to produce multicolor bioluminescence.

  18. Calculation of total cross sections and effective emission coefficients for B5+ collisions with ground-state and excited hydrogen

    International Nuclear Information System (INIS)

    Guzman, F; Errea, L F; Illescas, Clara; Mendez, L; Pons, B

    2010-01-01

    Classical and semiclassical calculations of nl-resolved charge exchange cross sections in B 5 + collisions with H(n i ) are performed to compute effective emission coefficients for the n = 7 → n = 6 transition in B 4 + for plasma conditions typical of the ASDEX-U tokamak. For n i = 1, the value of the emission coefficient is larger than that obtained from ADAS database by a factor of 2 at energies of 10 keV amu -1 , but no differences are found at energies above 50 keV amu -1 . For n i = 2, our calculation yields emission coefficients close to those derived from ADAS data from low to high impact energies. The emission coefficients corresponding to B 5 + + H(n i = 3) collisions are of the same order of magnitude as those for n i = 2.

  19. Empirical regularities in the excitation cross-section behavior of the lead atom (transitions from energy levels of 6pnd configurations)

    Science.gov (United States)

    Smirnov, Yu M.

    2018-03-01

    Electron-impact excitation of lead atom levels belonging to 6pnd configurations has been studied in experiment. One hundred two excitation cross-sections have been measured at an incident electron energy of 50 eV. Eleven optical excitation functions (OEFs) have been recorded in the exciting electron energy range of E = 0-200 eV. The resulting findings were used to study the excitation cross-sections dependence on the principal quantum number of upper levels for thirteen PbI spectral series.

  20. Energy transfer in LH2 of Rhodospirillum Molischianum, studied by subpicosecond spectroscopy and configuration interaction excition calculations.

    NARCIS (Netherlands)

    Ihalainen, J.A.; Linnanto, J.; Myllyperkiö, P.; van Stokkum, I.H.M.; Ücker, B.; Scheer, H.; Korppi-Tommola, J.E.I.

    2001-01-01

    Two color transient absorption measurements were performed on a LH2 complex from Rhodospirillum molischianum by using several excitation wavelengths (790, 800, 810, and 830 nm) and probing in the spectral region from 790 to 870 nm at room temperature. The observed energy transfer time of ∼1.0 ps

  1. Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments

    Science.gov (United States)

    Mester, Dávid; Nagy, Péter R.; Kállay, Mihály

    2018-03-01

    A reduced-cost implementation of the second-order algebraic-diagrammatic construction [ADC(2)] method is presented. We introduce approximations by restricting virtual natural orbitals and natural auxiliary functions, which results, on average, in more than an order of magnitude speedup compared to conventional, density-fitting ADC(2) algorithms. The present scheme is the successor of our previous approach [D. Mester, P. R. Nagy, and M. Kállay, J. Chem. Phys. 146, 194102 (2017)], which has been successfully applied to obtain singlet excitation energies with the linear-response second-order coupled-cluster singles and doubles model. Here we report further methodological improvements and the extension of the method to compute singlet and triplet ADC(2) excitation energies and transition moments. The various approximations are carefully benchmarked, and conservative truncation thresholds are selected which guarantee errors much smaller than the intrinsic error of the ADC(2) method. Using the canonical values as reference, we find that the mean absolute error for both singlet and triplet ADC(2) excitation energies is 0.02 eV, while that for oscillator strengths is 0.001 a.u. The rigorous cutoff parameters together with the significantly reduced operation count and storage requirements allow us to obtain accurate ADC(2) excitation energies and transition properties using triple-ζ basis sets for systems of up to one hundred atoms.

  2. Evaluation of excitation energy and spin in fission fragments using the statistical model, and the FIPPS project

    International Nuclear Information System (INIS)

    Faust, H.; Koester, U.; Kessedjian, G.; Sage, C.; Chebboubi, A.

    2013-01-01

    We review the statistical model and its application for the process of nuclear fission. The expressions for excitation energy and spin distributions for the individual fission fragments are given. We will finally emphasize the importance of measuring prompt gamma decay to further test the statistical model in nuclear fission with the FIPPS project. (authors)

  3. Low energy excitations in superconducting La1.86Sr0.14CuO4

    DEFF Research Database (Denmark)

    Mason, T.E.; Aeppli, G.; Hayden, S.M.

    1993-01-01

    We present magnetic neutron scattering and specific heat data on the high-T(c) superconductor La1.86Sr0.14CuO4. Even when the samples are superconducting and the magnetic response, chi'', is suppressed, there are excitations with energies well below 3.5k(B)T(c). The wave-vector dependence of chi...

  4. Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

    Science.gov (United States)

    Heßelmann, Andreas

    2015-04-14

    Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

  5. Energies of the ground state and first excited 0 sup + state in an exactly solvable pairing model

    CERN Document Server

    Dinh Dang, N

    2003-01-01

    Several approximations are tested by calculating the ground-state energy and the energy of the first excited 0 sup + state using an exactly solvable model with two symmetric levels interacting via a pairing force. They are the BCS approximation (BCS), Lipkin-Nogami (LN) method, random-phase approximation (RPA), quasiparticle RPA (QRPA), the renormalized RPA (RRPA), and renormalized QRPA (RQRPA). It is shown that, in the strong-coupling regime, the QRPA which neglects the scattering term of the model Hamiltonian offers the best fit to the exact solutions. A recipe is proposed using the RRPA and RQRPA in combination with the pairing gap given by the LN method. Applying this recipe, it is shown that the superfluid-normal phase transition is avoided, and a reasonably good description for both of the ground-state energy and the energy of the first excited 0 sup + state is achieved. (orig.)

  6. Effect of neutron irradiation on the density of low-energy excitations in vitreous silica

    International Nuclear Information System (INIS)

    Smith, T.L.

    1979-01-01

    Systematic low-temperature measurements of the thermal conductivity, specific heat, dielectric constant, and temperature-dependent ultrasound velocity were made on a single piece of vitreous silica. These measurements were repeated after fast neutron irradiation of the material. It was found that the irradiation produced changes of the same relative magnitude in the low-temperature excess specific heat C/sub ex/, the thermal conductivity kappa, and the anomalous temperature dependence of the ultrasound velocity Δv/v. A corresponding change in the temperature dependent dielectric constant was not observed. It is therefore likely that kappa and Δv/v are determined by the same localized excitations responsible for C/sub ex/, but the temperature dependence of the dielectric constant may have a different, though possibly related, origin. A consistent account for the measured C/sub ex/, kappa, and Δv/v of unirradiated silica is given by the tunneling-state model with a single, energy-dependent density of states. Changes in these three properties due to irradiation can be explained by altering only the density of tunneling states incorporated in the model

  7. Low-energy excitations in impurity substituted CuGeO3

    International Nuclear Information System (INIS)

    Jones, B. R.; Sushkov, A. B.; Musfeldt, J. L.; Wang, Y. J.; Revcolevschi, A.; Dhalenne, G.

    2001-01-01

    We report far-infrared reflectance measurements of Zn- and Si-doped CuGeO 3 single crystals as a function of applied magnetic field at low temperature. Overall, the low-energy far-infrared spectra are extraordinarily sensitive to the various phase boundaries in the H-T diagram, with the features being especially rich in the low-temperature dimerized state. Zn impurity substitution rapidly collapses the 44 cm -1 zone-boundary spin Peierls gap, although broadened magnetic excitations are observed at the lightest doping level (0.2%) and a remnant is still observable at 0.7% substitution. In a 0.7% Si-doped sample, there is no evidence of the spin gap. Impurity substitution effects on the intensity of the 98 cm -1 zone-folding mode are striking as well. The lightly doped Zn crystals display an enhanced response, and even at intermediate doping levels, the mode intensity is larger than that in the pristine material. The Si-doped sample also displays an increased intensity of the 98 cm -1 mode in the spin Peierls phase relative to the pure material. The observed trends are discussed in terms of the effect of disorder on the spin gap and 98 cm -1 mode, local oscillator strength sum rules, and broken selection rules

  8. The surrogate-reaction method and excitation-energy sorting in nuclear fission

    International Nuclear Information System (INIS)

    Jurado, Beatriz

    2015-01-01

    This manuscript summarises the main activities that I have carried out during the last ten years of research at the Centre d'etudes Nucleaires de Bordeaux-Gradignan (CENBG). It is, to a great extent, a synthesis of nine articles. They can be consulted by the reader that would like to have more detailed information. These articles are denoted as Article I, II.. all along the manuscript. The manuscript is intended to be accessible to PhD students not familiar with the topic. Chapter 1 recalls some of the basic ideas of statistical mechanics and discusses the applicability of its concepts to nuclei. Some of these concepts, in particular the concept of statistical equilibrium, are essential for the topics covered by chapters 2 and 3. Chapter 2 summarises the studies performed by the CENBG collaboration on the surrogate-reaction method in the last ten years. Chapter 3 summarises part of the work done on the modelling of nuclear fission in collaboration with Karl-Heinz Schmidt, it considers the partition of excitation energy and unpaired nucleons in fission on the basis of statistical mechanics. Chapters 2 and 3 contain the bulk of my work, each of them has its own introduction and conclusion sections. Chapter 4 presents the medium and long-term experimental perspectives for the topics described in chapters 2 and 3. (author)

  9. Excitation of short wavelength Alfven oscillations by high energy ions in tokamak

    International Nuclear Information System (INIS)

    Beasley, C.O. Jr.; Lominadze, J.G.; Mikhailovskii, A.B.

    1975-08-01

    The excitation of Alfven waves by fast untrapped ions in axisymmetric tokamaks is described by the dispersion relation epsilon 11 - c 2 k/sub parallel bars/ 2 /ω 2 = 0. Using this relation a new class of instability connected with the excitation of Alfven oscillations is described. (U.S.)

  10. Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies.

    Science.gov (United States)

    Khoromskaia, Venera; Khoromskij, Boris N

    2015-12-21

    We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, first appeared as an accurate tensor calculus for the 3D Hartree potential using 1D complexity operations, and have evolved to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in O(n log n) complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D n × n × n Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D "density fitting" scheme, which yield an almost irreducible number of product basis functions involved in the 3D convolution integrals, depending on a threshold ε > 0. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excitation energies, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is towards the tensor-based Hartree-Fock numerical scheme for finite lattices, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a L × L × L lattice manifests the linear in L computational work, O(L), instead of the usual O(L(3) log L) scaling by the Ewald-type approaches.

  11. Energy relaxation in IR laser excited Hg1-xCdxTe

    International Nuclear Information System (INIS)

    Storebo, A K; Brudevoll, T; Olsen, O; Norum, O C; Breivik, M

    2009-01-01

    IR laser excitation of Hg l-x Cd x Te by low-fluence femtosecond and high fluence microsecond pulses was explored for the technologically important alloy fractions x ∼ 0.2 and x ∼ 0.28. We have used first principles (LAPW) electronic structure calculations and finite element modelling, supported by Monte Carlo simulation for the description of femtosecond pulse carrier relaxation and the transport parameters. Laser wavelengths considered were 6.4 - 10.6 μm for x ∼ 0.2 and 3.8 - 4.8 μm for x ∼ 0.28, with an incident 1 microsecond pulse fluence of 2 J/cm 2 . Many energy transfer mechanisms are invoked due to the long timescales of the microsecond pulses, and a main challenge is therefore to elucidate how these interplay in situations away from thermal equilibrium. Mechanisms studied include one- and two-photon absorption (OPA and TPA) across the band gap, inter-valence band absorption (IVA) between light- and heavy hole bands, electron-hole recombination/impact ionization, band gap renormalisation, intra-band free carrier absorption (FCA), excess carrier temperatures, non-equilibrium phonon generation, and refractive index changes. In the high fluence case, lattice temperatures evolve considerably during the laser pulse in response to the heated carriers. The chosen photon energies lie just above the band gap at the starting lattice temperature of 77 K, and nonlinear effects therefore dominate as the material heats up and the band gap begins to exceed the photon energy. Because of the low photon energy we must rely on Auger recombination, inter-valence band absorption and free carrier absorption to heat the carrier plasma. Although some Hg l-x Cd x Te material parameters are now relatively well known, existing data for many of the processes are inadequate for cases far away from thermal equilibrium. Furthermore, the role of Auger recombination in relation to non-intrinsic recombination has been a matter of debate lately. In this respect, information from

  12. Assessment and Decomposition of Total Factor Energy Efficiency: An Evidence Based on Energy Shadow Price in China

    Directory of Open Access Journals (Sweden)

    Peihao Lai

    2016-04-01

    Full Text Available By adopting an energy-input based directional distance function, we calculated the shadow price of four types of energy (i.e., coal, oil, gas and electricity among 30 areas in China from 1998 to 2012. Moreover, a macro-energy efficiency index in China was estimated and divided into intra-provincial technical efficiency, allocation efficiency of energy input structure and inter-provincial energy allocation efficiency. It shows that total energy efficiency has decreased in recent years, where intra-provincial energy technical efficiency drops markedly and extensive mode of energy consumption rises. However, energy structure and allocation improves slowly. Meanwhile, lacking an integrated energy market leads to the loss of energy efficiency. Further improvement of market allocation and structure adjustment play a pivotal role in the increase of energy efficiency.

  13. Electron distribution function in electron-beam-excited plasmas

    International Nuclear Information System (INIS)

    Brau, C.A.

    1976-01-01

    In monatomic plasmas excited by high-intensity relativistic electron beams, the electron secondary distribution function is dominated by elastic electron-electron collisions at low electron energies and by inelastic electron-atom collisions at high electron energies (above the excitation threshold). Under these conditions, the total rate of excitation by inelastic collisions is limited by the rate at which electron-electron collisions relax the distribution function in the neighborhood of the excitation threshold. To describe this effect quantitatively, an approximate analytic solution of the electron Boltzmann equation is obtained, including both electron-electron and inelastic collisions. The result provides a simple formula for the total rate of excitation

  14. Prediction of interior noise due to random acoustic or turbulent boundary layer excitation using statistical energy analysis

    Science.gov (United States)

    Grosveld, Ferdinand W.

    1990-01-01

    The feasibility of predicting interior noise due to random acoustic or turbulent boundary layer excitation was investigated in experiments in which a statistical energy analysis model (VAPEPS) was used to analyze measurements of the acceleration response and sound transmission of flat aluminum, lucite, and graphite/epoxy plates exposed to random acoustic or turbulent boundary layer excitation. The noise reduction of the plate, when backed by a shallow cavity and excited by a turbulent boundary layer, was predicted using a simplified theory based on the assumption of adiabatic compression of the fluid in the cavity. The predicted plate acceleration response was used as input in the noise reduction prediction. Reasonable agreement was found between the predictions and the measured noise reduction in the frequency range 315-1000 Hz.

  15. On mechanism of Ar(3p54p) states excitation in low-energy Ar-Ar collisions

    International Nuclear Information System (INIS)

    Kurskov, S Y; Kashuba, A S

    2009-01-01

    The present work is devoted to study of Ar(3p 5 4p) states excitation in binary low-energy Ar-Ar collisions. The results of the experimental investigation of excitation cross sections of Ar I 4p'[l/2] 1 , 4p'[3/2] 1 , 4p'[3/2] 2 and 4p[3/2] 2 levels in the collision energy range from threshold up to 500 eV (cm) and degree of polarization for 4s[3/2] 2 0 -4p'[l/2] 1 and 4s[3/2] 2 0 -4p[3/2] 2 transitions in this energy range are represented.

  16. Research on the decomposition model for China’s National Renewable Energy total target

    International Nuclear Information System (INIS)

    Liu, Zhen; Shi, Yuren; Yan, Jianming; Ou, Xunmin; Lieu, Jenny

    2012-01-01

    It is crucial that China’s renewable energy national target in 2020 is effectively decomposed into respective period targets at the provincial level. In order to resolve problems arising from combining the national and local renewable energy development plan, a total target and period target decomposition model of renewable energy is proposed which considers the resource distribution and energy consumption of different provinces as well as the development characteristics of various renewable energy industries. In the model, the total proposed target is comprised of three shares: basic share, fixed share and floating share target. The target distributed for each province is then determined by the preference relation. That is, when total renewable energy target is distributed, the central government is more concerned about resources potential or energy consumption. Additionally, the growth models for various renewable energy industries are presented, and the period targets of renewable energy in various provinces are proposed in line with regional economic development targets. In order to verify whether the energy target can be achieved, only wind power, solar power, and hydropower are considered in this study. To convenient to assess the performance of local government, the two year period is chosen as an evaluation cycle in the paper. The renewable energy targets per two-year period for each province are calculated based on the overall national renewable energy target, energy requirements and resources distribution. Setting provincial period targets will help policy makers to better implement and supervise the overall renewable energy plan. - Highlights: It is very importance that the national target of renewable energy in 2020 can be effectively decomposed into the stages target of various province. In order to resolve the relation the plan between the national and local renewable energy development planning, a total target and phase target decomposition model

  17. Molecular approaches to solar energy conversion: the energetic cost of charge separation from molecular-excited states.

    Science.gov (United States)

    Durrant, James R

    2013-08-13

    This review starts with a brief overview of the technological potential of molecular-based solar cell technologies. It then goes on to focus on the core scientific challenge associated with using molecular light-absorbing materials for solar energy conversion, namely the separation of short-lived, molecular-excited states into sufficiently long-lived, energetic, separated charges capable of generating an external photocurrent. Comparisons are made between different molecular-based solar cell technologies, with particular focus on the function of dye-sensitized photoelectrochemical solar cells as well as parallels with the function of photosynthetic reaction centres. The core theme of this review is that generating charge carriers with sufficient lifetime and a high quantum yield from molecular-excited states comes at a significant energetic cost-such that the energy stored in these charge-separated states is typically substantially less than the energy of the initially generated excited state. The role of this energetic loss in limiting the efficiency of solar energy conversion by such devices is emphasized, and strategies to minimize this energy loss are compared and contrasted.

  18. The Use of Trust Regions in Kohn-Sham Total Energy Minimization

    International Nuclear Information System (INIS)

    Yang, Chao; Meza, Juan C.; Wang, Lin-wang

    2006-01-01

    The Self Consistent Field (SCF) iteration, widely used for computing the ground state energy and the corresponding single particle wave functions associated with a many-electron atomistic system, is viewed in this paper as an optimization procedure that minimizes the Kohn-Sham total energy indirectly by minimizing a sequence of quadratic surrogate functions. We point out the similarity and difference between the total energy and the surrogate, and show how the SCF iteration can fail when the minimizer of the surrogate produces an increase in the KS total energy. A trust region technique is introduced as a way to restrict the update of the wave functions within a small neighborhood of an approximate solution at which the gradient of the total energy agrees with that of the surrogate. The use of trust region in SCF is not new. However, it has been observed that directly applying a trust region based SCF(TRSCF) to the Kohn-Sham total energy often leads to slow convergence. We propose to use TRSCF within a direct constrained minimization(DCM) algorithm we developed in dcm. The key ingredients of the DCM algorithm involve projecting the total energy function into a sequence of subspaces of small dimensions and seeking the minimizer of the total energy function within each subspace. The minimizer of a subspace energy function, which is computed by TRSCF, not only provides a search direction along which the KS total energy function decreases but also gives an optimal 'step-length' that yields a sufficient decrease in total energy. A numerical example is provided to demonstrate that the combination of TRSCF and DCM is more efficient than SCF

  19. Oleate induces KATP channel-dependent hyperpolarization in mouse hypothalamic glucose-excited neurons without altering cellular energy charge.

    Science.gov (United States)

    Dadak, Selma; Beall, Craig; Vlachaki Walker, Julia M; Soutar, Marc P M; McCrimmon, Rory J; Ashford, Michael L J

    2017-03-27

    The unsaturated fatty acid, oleate exhibits anorexigenic properties reducing food intake and hepatic glucose output. However, its mechanism of action in the hypothalamus has not been fully determined. This study investigated the effects of oleate and glucose on GT1-7 mouse hypothalamic cells (a model of glucose-excited (GE) neurons) and mouse arcuate nucleus (ARC) neurons. Whole-cell and perforated patch-clamp recordings, immunoblotting and cell energy status measures were used to investigate oleate- and glucose-sensing properties of mouse hypothalamic neurons. Oleate or lowered glucose concentration caused hyperpolarization and inhibition of firing of GT1-7 cells by the activation of ATP-sensitive K + channels (K ATP ). This effect of oleate was not dependent on fatty acid oxidation or raised AMP-activated protein kinase activity or prevented by the presence of the UCP2 inhibitor genipin. Oleate did not alter intracellular calcium, indicating that CD36/fatty acid translocase may not play a role. However, oleate activation of K ATP may require ATP metabolism. The short-chain fatty acid octanoate was unable to replicate the actions of oleate on GT1-7 cells. Although oleate decreased GT1-7 cell mitochondrial membrane potential there was no change in total cellular ATP or ATP/ADP ratios. Perforated patch and whole-cell recordings from mouse hypothalamic slices demonstrated that oleate hyperpolarized a subpopulation of ARC GE neurons by K ATP activation. Additionally, in a separate small population of ARC neurons, oleate application or lowered glucose concentration caused membrane depolarization. In conclusion, oleate induces K ATP- dependent hyperpolarization and inhibition of firing of a subgroup of GE hypothalamic neurons without altering cellular energy charge. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  20. How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study.

    Science.gov (United States)

    Komoto, Keenan T; Kowalczyk, Tim

    2016-10-06

    To support the development and characterization of chromophores with targeted photophysical properties, excited-state electronic structure calculations should rapidly and accurately predict how derivatization of a chromophore will affect its excitation and emission energies. This paper examines whether a time-independent excited-state density functional theory (DFT) approach meets this need through a case study of BODIPY chromophore photophysics. A restricted open-shell Kohn-Sham (ROKS) treatment of the S 1 excited state of BODIPY dyes is contrasted with linear-response time-dependent density functional theory (TDDFT). Vertical excitation energies predicted by the two approaches are remarkably different due to overestimation by TDDFT and underestimation by ROKS relative to experiment. Overall, ROKS with a standard hybrid functional provides the more accurate description of the S 1 excited state of BODIPY dyes, but excitation energies computed by the two methods are strongly correlated. The two approaches also make similar predictions of shifts in the excitation energy upon functionalization of the chromophore. TDDFT and ROKS models of the S 1 potential energy surface are then examined in detail for a representative BODIPY dye through molecular dynamics sampling on both model surfaces. We identify the most significant differences in the sampled surfaces and analyze these differences along selected normal modes. Differences between ROKS and TDDFT descriptions of the S 1 potential energy surface for this BODIPY derivative highlight the continuing need for validation of widely used approximations in excited state DFT through experimental benchmarking and comparison to ab initio reference data.

  1. A pair natural orbital based implementation of CCSD excitation energies within the framework of linear response theory

    Science.gov (United States)

    Frank, Marius S.; Hättig, Christof

    2018-04-01

    We present a pair natural orbital (PNO)-based implementation of coupled cluster singles and doubles (CCSD) excitation energies that builds upon the previously proposed state-specific PNO approach to the excited state eigenvalue problem. We construct the excited state PNOs for each state separately in a truncated orbital specific virtual basis and use a local density-fitting approximation to achieve an at most quadratic scaling of the computational costs for the PNO construction. The earlier reported excited state PNO construction is generalized such that a smooth convergence of the results for charge transfer states is ensured for general coupled cluster methods. We investigate the accuracy of our implementation by applying it to a large and diverse test set comprising 153 singlet excitations in organic molecules. Already moderate PNO thresholds yield mean absolute errors below 0.01 eV. The performance of the implementation is investigated through the calculations on alkene chains and reveals an at most cubic cost-scaling for the CCSD iterations with the system size.

  2. Fission lifetime measured by the blocking technique as a function of excitation energy in the 24 A.MeV 238U+28Si reaction

    International Nuclear Information System (INIS)

    Morjean, M.; Galin, J.; Goldenbaum, F.; Lienard, E.; Chevallier, M.; Dauvergne, D.; Kirsch, R.; Jacquet, D.; and others.

    1997-01-01

    The blocking technique was used to infer fission lifetimes as a function of excitation energy for uranium-like nuclei formed in the U+Si reactions at 24 MeV/nucleon. The fission lifetimes are found larger than 10 -19 s for excitation energies up to about 250 MeV. (K.A.)

  3. The total Hartree-Fock energy-eigenvalue sum relationship in atoms

    International Nuclear Information System (INIS)

    Sen, K.D.

    1979-01-01

    Using the well known relationships for the isoelectronic changes in the total Hartree-Fock energy, nucleus-electron attraction energy and electron-electron repulsion energy in atoms a simple polynomial expansion in Z is obtained for the sum of the eigenvalues which can be used to calculate the total Hartree-Fock energy. Numerical results are presented for 2-10 electron series to show that the present relationship is a better approximation than the other available energy-eigenvalue relationships. (author)

  4. Energy efficiency improvement: A strong driver for Total operations and R and D

    Energy Technology Data Exchange (ETDEWEB)

    Garnaud, Frederic; Rocher, Anne

    2010-09-15

    Total has implemented an energy efficiency action plan for both producing fields and new projects linked to a dedicated R and D program. The Energy efficiency assessment methodology is described, with an example: base line of the current situation, energy efficiency plan, contribution to best practices at corporate level. A methodology to assess the energy efficiency of a new development has been defined and implemented within Total. This methodology as well as related indicators is presented. Examples of R and D results dedicated to improve energy efficiency in two major areas of future developments are given: sour gas production and deep offshore field architecture.

  5. Impact of dietary fiber energy on the calculation of food total energy value in the Brazilian Food Composition Database.

    Science.gov (United States)

    Menezes, Elizabete Wenzel de; Grande, Fernanda; Giuntini, Eliana Bistriche; Lopes, Tássia do Vale Cardoso; Dan, Milana Cara Tanasov; Prado, Samira Bernardino Ramos do; Franco, Bernadette Dora Gombossy de Melo; Charrondière, U Ruth; Lajolo, Franco Maria

    2016-02-15

    Dietary fiber (DF) contributes to the energy value of foods and including it in the calculation of total food energy has been recommended for food composition databases. The present study aimed to investigate the impact of including energy provided by the DF fermentation in the calculation of food energy. Total energy values of 1753 foods from the Brazilian Food Composition Database were calculated with or without the inclusion of DF energy. The energy values were compared, through the use of percentage difference (D%), in individual foods and in daily menus. Appreciable energy D% (⩾10) was observed in 321 foods, mainly in the group of vegetables, legumes and fruits. However, in the Brazilian typical menus containing foods from all groups, only D%foods, when individually considered. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Cross sections for energy transfer in collisions between two excited sodium atoms

    International Nuclear Information System (INIS)

    Huennekens, J.; Gallagher, A.

    1983-01-01

    We have measured cross sections, sigma/sub n/L, for the excitation transfer process Na(3P)+Na(3P)→Na(3S)+Na(nL), where nL is the 4D or 5S level. Our results are sigma/sub 4D/ = 23 A 2 +- 35% and sigma/sub 5S/ = 16 A 2 +- 35% at Tapprox.600 K. To obtain these cross sections we have used pulsed excitation and measured the intensities of 4D, 5S, and 3P fluorescence emissions, and the spatial distribution of excited atoms resulting from radiation diffusion, as well as the excited atom density as a function of time. Additionally, we have accounted for (time-dependent) radiation trapping of 3P and nL level radiation and for the resulting anisotropies of these fluorescence emissions. Comparisons of our results with theory have been made, and their relevance to other experiments is discussed

  7. Electron-impact rotationally elastic total cross sections for H2CO and HCOOH over a wide range of incident energy (0.01-2000 eV)

    International Nuclear Information System (INIS)

    Vinodkumar, Minaxi; Bhutadia, Harshad; Antony, Bobby; Mason, Nigel

    2011-01-01

    This paper reports computational results of the total cross sections for electron impact on H 2 CO and HCOOH over a wide range of electron impact energies from 0.01 eV to 2 keV. The total cross section is presented as sum of the elastic and electronic excitation cross sections for incident energies. The calculation uses two different methodologies, below the ionization threshold of the target the cross section is calculated using the UK molecular R-matrix code through the Quantemol-N software package while cross sections at higher energies are evaluated using the spherical complex optical potential formalism. The two methods are found to be consistent at the transition energy (∼15 eV). The present results are, in general, found to be in good agreement with previous experimental and theoretical results (wherever available) and, thus, the present results can serve as a benchmark for the cross section over a wide range of energy.

  8. Validations of CNDOL approximate Hamiltonian as a fast and reliable method to obtain vertical excitation energies in polyatomic systems

    International Nuclear Information System (INIS)

    Montero-Alejo, Ana L.; Gonzalez-Santana, Susana; Montero-Cabrera, Luis A.; Hernandez-Rodriguez, Erix Wiliam; Fuentes-Montero, Maria Elena; Bunge-Molina, Carlos F.; Gonzalez, Augusto

    2008-01-01

    Theoretical prediction of vertical excitation energies and an estimation of charge distributions of polyatomic systems can be calculated, through the configuration interaction of single (CIS) excited determinants procedure, with the CNDOL (Complete Neglect of Differential Overlap considering the l azimuthal quantum number) Hamiltonians. This method does not use adjusted parameters to fit experimental data and only employ a priori data on atomic orbitals and simple formulas to substitute large computations of electronic integrals. In this sense, different functions for bi-electron integrals have been evaluated in order to improve the approximate Hamiltonian. The reliability of predictions and theoretical consistence has been tested with a benchmark set of organic molecules that covers important classes of chromophores including polyenes and other unsaturated aliphatic compounds, aromatic, hydrocarbons, heterocycles, carbonyl compounds, and nucleobases. The calculations are done at identical geometries (MP2) with the same basis set (6-31G) for these medium-sized molecules and the obtained results were statistically compared with other analogous methods and experimental data. The accuracy of prediction of each CNDOL vertical transitions energy increases while the active space is more complete allowing the best variational optimization of CIS matrices i.e. molecular excited states. Moreover and due to the feasible computation procedure for large polyatomic systems, the studies have been extended, as a preliminary work, in the field of optoelectronic materials for photovoltaic applications. Hence, the excitation energies of different conjugated Phenyl-cored Thiophene Dendrimers optimized by DFT (Density Functional Theory) were calculated and show good agreement with the experiment data. The predicted charge distribution during the excitation contributes to understand the photophysics process on these kind materials. (Full text)

  9. Ergodicity, configurational entropy and free energy in pigment solutions and plant photosystems: influence of excited state lifetime.

    Science.gov (United States)

    Jennings, Robert C; Zucchelli, Giuseppe

    2014-01-01

    We examine ergodicity and configurational entropy for a dilute pigment solution and for a suspension of plant photosystem particles in which both ground and excited state pigments are present. It is concluded that the pigment solution, due to the extreme brevity of the excited state lifetime, is non-ergodic and the configurational entropy approaches zero. Conversely, due to the rapid energy transfer among pigments, each photosystem is ergodic and the configurational entropy is positive. This decreases the free energy of the single photosystem pigment array by a small amount. On the other hand, the suspension of photosystems is non-ergodic and the configurational entropy approaches zero. The overall configurational entropy which, in principle, includes contributions from both the single excited photosystems and the suspension which contains excited photosystems, also approaches zero. Thus the configurational entropy upon photon absorption by either a pigment solution or a suspension of photosystem particles is approximately zero. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. New even parity energy levels of Pr I found by excitation of transitions in the region 560 - 695 nm

    Energy Technology Data Exchange (ETDEWEB)

    Syed, Tanweer Iqbal; Khan, Shamim; Imran, Siddiqui; Zaheer, Uddin; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)

    2011-07-01

    The knowledge of electronic levels is essentially needed for a description of the interactions between the electrons of an atom and for the classification of an atomic spectrum. We have studied the hyperfine structure of Praseodymium spectral lines in the region from 560 to 695 nm. The hyperfine structure of a large number of unclassified Pr I-lines have been investigated by using the method of laser induced fluorescence in a hollow cathode discharge. During this investigation, we have discovered twelve energy levels with even parity, which were previously unknown. The excitation source was a ring dye laser operated with R6G, Kiton red, or DCM. J-quantum numbers and magnetic dipole interaction constants A for upper and lower levels have been determined from the recorded hyperfine structures. The energies of new levels have been determined by using these constants, excitation and fluorescence wavelengths. Promising excitation wavelengths have been taken from Fourier transform spectra. The new levels were confirmed by at least one second laser excitation.

  11. Projectile excitation energy evolution in peripheral collisions for 16O + 197Au at 32.5, 50 and 70 MeV/N

    International Nuclear Information System (INIS)

    Pouliot, J.; Dore, D.; Houde, S.; Laforest, R.; Roy, R.; St-Pierre, C.; Chan, Y.; Horn, D.; Horn, D.

    1991-01-01

    A comparison of the multiple breakup of 16 O projectiles scattered by a Au target at three different energies (32.5, 50 and 70 MeV/N) is presented. The excitation energy spectra of the primary projectile-like nuclei decaying into specific output channels were reconstructed. The excitation energy of the target is found to increase faster with beam energy than the one for the quasi-projectile

  12. Continuum corrections to the level density and its dependence on excitation energy, n-p asymmetry, and deformation

    International Nuclear Information System (INIS)

    Charity, R.J.; Sobotka, L.G.

    2005-01-01

    In the independent-particle model, the nuclear level density is determined from the neutron and proton single-particle level densities. The single-particle level density for the positive-energy continuum levels is important at high excitation energies for stable nuclei and at all excitation energies for nuclei near the drip lines. This single-particle level density is subdivided into compound-nucleus and gas components. Two methods are considered for this subdivision: In the subtraction method, the single-particle level density is determined from the scattering phase shifts. In the Gamov method, only the narrow Gamov states or resonances are included. The level densities calculated with these two methods are similar; both can be approximated by the backshifted Fermi-gas expression with level-density parameters that are dependent on A, but with very little dependence on the neutron or proton richness of the nucleus. However, a small decrease in the level-density parameter is predicted for some nuclei very close to the drip lines. The largest difference between the calculations using the two methods is the deformation dependence of the level density. The Gamov method predicts a very strong peaking of the level density at sphericity for high excitation energies. This leads to a suppression of deformed configurations and, consequently, the fission rate predicted by the statistical model is reduced in the Gamov method

  13. Excitation of contained modes by high energy nuclei and correlated cyclotron emission

    International Nuclear Information System (INIS)

    Coppi, B.; Penn, G.; Riconda, C.

    1997-01-01

    In experiments with fusing plasmas, enhanced radiation emission at the harmonics of the cyclotron frequency of fusion reaction products has been observed. A theory is presented that explains key features of these observations and indicates the possibility of extracting significant information about the fusion product population distribution, both in velocity space and over the plasma cross section. The considered model is consistent in particular with the fact that, in DT plasmas, the radiation peaks occur at frequencies corresponding to harmonics of the α particles cyclotron frequency Ω a evaluated at the outer edge of the plasma column, and that a transition to a open-quotes continuumclose quotes spectrum at high frequencies (ω approx-gt 7Ω α ) can be identified. In this model, the radiation is the result of the excitation of radially open-quotes containedclose quotes modes which are driven unstable by the fusion products. The modes considered to be responsible for the discrete part of the spectrum are spatially localized near the plasma edge. The radial containment, which is associated mainly with the inhomogeneity of the plasma density, is in fact a fundamental characteristic since only contained modes can grow out of a relatively weak mode-particle interaction and justify the detected emission power levels. The contained mode is a solution to a set of macroscopic equations, in which the electron motion is tied to that of the magnetic field (Hall effect). The growth rate has been evaluated considering the particle orbits in a toroidal confinement configuration and modelling the distribution function of the interacting particles with the energy at birth before slowing down occurs. The growth rate depends linearly on the α-particle density and can be larger than, or of the order of, the bounce frequency of the magnetically trapped α-particles, which can have a resonant interaction with the mode. According to the theoretical model presented, the discrete

  14. Measurements of effective total macroscopic cross sections and effective energy of continuum beam

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Hisao [Rikkyo Univ., Yokosuka, Kanagawa (Japan). Inst. for Atomic Energy

    1998-03-01

    Two practically useful quantities are introduced in this study to characterize a continuum neutron beam and to describe transmission phenomena of the beam in field of quantitative neutron radiography: an effective energy instead of a peak energy or a mean energy of the spectrum and an effective total macroscopic (ETM) cross section instead of a total macroscopic (TM) cross section defined at the monochromatic energy. The effective energy was evaluated by means of energy dependence of ETM cross section. To realize the method a beam quality indicator (BQI) has been proposed recently. Several effective energies were measured for non-filtered, filtered neutron beams, and outputs of neutron guide tubes in world by the BQI. A thermal neutron beam and three beams modulated by Pb filters with different thicknesses are studied to measure ETM cross sections for various materials and summarized in a table. Validity of the effective energy determined by the BQI is discussed relating with ETM cross sections of materials. (author)

  15. Machine Learning methods in fitting first-principles total energies for substitutionally disordered solid

    Science.gov (United States)

    Gao, Qin; Yao, Sanxi; Widom, Michael

    2015-03-01

    Density functional theory (DFT) provides an accurate and first-principles description of solid structures and total energies. However, it is highly time-consuming to calculate structures with hundreds of atoms in the unit cell and almost not possible to calculate thousands of atoms. We apply and adapt machine learning algorithms, including compressive sensing, support vector regression and artificial neural networks to fit the DFT total energies of substitutionally disordered boron carbide. The nonparametric kernel method is also included in our models. Our fitted total energy model reproduces the DFT energies with prediction error of around 1 meV/atom. The assumptions of these machine learning models and applications of the fitted total energies will also be discussed. Financial support from McWilliams Fellowship and the ONR-MURI under the Grant No. N00014-11-1-0678 is gratefully acknowledged.

  16. Testing an excited-state energy density functional and the associated potential with the ionization potential theorem

    International Nuclear Information System (INIS)

    Hemanadhan, M; Shamim, Md; Harbola, Manoj K

    2014-01-01

    The modified local spin density (MLSD) functional and the related local potential for excited states is tested by employing the ionization potential theorem. The exchange functional for an excited state is constructed by splitting k-space. Since its functional derivative cannot be obtained easily, the corresponding exchange potential is given by an analogy to its ground-state counterpart. Further, to calculate the highest occupied orbital energy ϵ max accurately, the potential is corrected for its asymptotic behaviour by employing the van Leeuwen and Baerends (LB) correction to it. ϵ max so obtained is then compared with the ΔSCF ionization energy calculated using the MLSD functional with self-interaction correction for the orbitals involved in the transition. It is shown that the two match quite accurately. The match becomes even better by tuning the LB correction with respect to a parameter in it. (paper)

  17. Lowest excited-state impurity binding energy in InGaN/GaN parabolic QWW: magnetic field effect

    International Nuclear Information System (INIS)

    Haddou El Ghazi; Anouar Jorio; Izeddine Zorkani

    2013-01-01

    In this paper, we have investigated the magnetic field effect on the lowest excited-state binding energy of hydrogenic shallow-donor impurity in wurtzite (In,Ga)N/GaN parabolic transversal-section quantum-well wire (PQWW) using the finite-difference method within the quasi-one-dimensional effective potential model. The calculations are performed within the framework of the effective mass approximation. A cylindrical QWW effective radius is taken into account to describe the lateral confinement strength. The numerical results show that: (i) the probability density is the largest on a circularity whose radius is the effective radius and (ii) the lowest excited-state binding energy is the largest when an impurity is located on this circularity while it starts to decrease as the impurity is away from the circularity. (author)

  18. Fission of 255,256Es, 255-257Fm, and 258Md at moderate excitation energies

    NARCIS (Netherlands)

    Britt, H.C.; Hoffman, D.C.; Plicht, J. van der; Wilhelmy, J.; Cheifetz, E.; Dupzyk, R.J.; Lougheed, R.W.

    1984-01-01

    The fission of 255,256Es, 255-257Fm, and 258Md has been studied in the excitation energy range from threshold to 25 MeV. A target of 254Es was used in the direct reaction studies; (d,pf), (t,pf), (3He,df), (3He,pf), and in the compound induced fission reactions formed with p, d, t, and α particle

  19. Influence of excitation and ionization of the atoms on the velocity of nuclear processes at low energies

    International Nuclear Information System (INIS)

    Gareev, F.A.; Zhidkova, I.E.; Ratis, Yu.L.

    2004-01-01

    We have concluded that cold transmutation of nuclei is possible in the framework of the modern physical theory - excitation and ionization of atoms and the universal resonance synchronization principle are responsible for it. Investigation of this phenomenon requires knowledge of different branches of science: nuclear and atomic physics, chemistry and electrochemistry, condensed matter and solid state physics. The results of this research field can provide a new source of energy, substances and technologies. (author)

  20. Neutron total, scattering and inelastic gamma-ray cross sections of yttrium at few MeV energies

    International Nuclear Information System (INIS)

    Budtz-Joergensen, C.; Guenther, P.; Smith, A.; Whalen, J.; McMurray, W.R.; Renan, M.J.; Heerden, I.J. van

    1984-01-01

    Neutron total, scattering and (n; n', γ) cross sections of elemental yttrium ( 89 Y) were measured in the few-MeV region. The neutron total-cross-section measurements were made with broad resolutions from approx.=0.5 to 4.2 MeV in steps of < or approx.0.1 MeV. Neutron elastic- and inelastic-scattering cross sections were measured from approx.=1.5 to 4.0 MeV, at incident-neutron energy intervals of approx.=50 keV and at ten or more scattering angles distributed between 20 and 160 degrees using neutron detection. Inelastic-scattering cross sections were also determined using the (n; n', γ) reaction at incident energies from 1.6 to 3.8 MeV at intervals of 0.1 MeV. Gamma-rays and/or inelastically-scattered neutrons were observed corresponding to the excitation of levels at: 909.0+-0.5, 1,507.4+-0.3, 1,744.5+-0.3, 2,222.6+-0.5, 2,530+-0.8, 2,566.4+-1.0, 2,622.5+-1.0, 2,871.9+-1.5, 2,880.6+-2.0, 3,067.0+-2.0, 3,107.0+-2.0, 3,140.0+-2.0, 3,410.0+-2.0, 3,450.0+-2.0, 3,504.0+-1.5, 3,514.0+-2.0, 3,556.0+-2.0, 3,619.0+-3.0, 3,629.0+-3.0 and 3,715.0+-3.0 keV. The experimental results are discussed in terms of the spherical-optical-statistical, coupled-channels, and core-coupling models, and in the context of previously reported excited-level structure. (orig.)

  1. 6,7Li + 28Si total reaction cross sections at near barrier energies

    International Nuclear Information System (INIS)

    Pakou, A.; Musumarra, A.; Pierroutsakou, D.; Alamanos, N.; Assimakopoulos, P.A.; Divis, N.; Doukelis, G.; Gillibert, A.; Harissopulos, S.; Kalyva, G.; Kokkoris, M.; Lagoyannis, A.; Mertzimekis, T.J.; Nicolis, N.G.; Papachristodoulou, C.; Perdikakis, G.; Roubos, D.; Rusek, K.; Spyrou, S.; Zarkadas, Ch.

    2007-01-01

    Total reaction cross section measurements for the 6,7 Li + 28 Si systems have been performed at near-barrier energies. The results indicate that, with respect to the potential anomaly at barrier, 6 Li and 7 Li on light targets exhibit similar energy dependence on the imaginary potential. Comparisons are made with 6,7 Li cross sections on light and heavy targets, extracted via previous elastic scattering measurements and also with CDCC calculations. Energy dependent parametrisations are also obtained for total reaction cross sections of 6,7 Li on Si, as well as on any target, at near barrier energies

  2. How fast is the growth of Total Cross Section at High Energies?

    CERN Document Server

    Fazal-e-Aleem, M; Sohail-Afzal, Tahir; Ayub-Faridi, M; Qadee-Afzal, M

    2003-01-01

    Relativistic Heavy Ion Collider and Large Hadron Colliders have special agenda for the measurements of the total cross sections at high energies giving us an opportunity to touch cosmic ray energies. Recent analyses of the cosmic ray data together with earlier experimental measurements at ISR and SPS gives us an insight about the behaviour of this important parameter at asymptotic energies. We will study the growth of total cross section at high energies in the light of various theoretical approaches with special reference to measurements at RHIC and LHC.

  3. The study of quasi-projectiles produced in Ni+Ni and Ni+Au collisions: excitation energy and spin

    International Nuclear Information System (INIS)

    Buta, A.

    2003-02-01

    During the collision between the projectile and the target nuclei in the intermediate energy regime (E < 100 MeV/nucleon) two excited nuclei are mainly observed in the exit channel, the quasi projectile (QP) and the quasi target. They disintegrate by particle emission. However, this binary picture is perturbed by the emission of particles and light fragments with velocities intermediate between the projectile velocity and the target one, all along the interaction (midrapidity component). This work aim to determine the excitation energy and the intrinsic angular momentum (or spin) of quasi-projectiles produced in the Ni+Ni and Ni+Au collisions at 52 and 90 MeV/nucleon. The excitation energy is deduced from the kinematical characteristics of particles emitted by the quasi-projectile. They have to be separated from midrapidity particles. Three different scenarios have been used for this purpose. The spin of the quasi-projectile has been extracted from the experimental data by mean of proton and alpha particles multiplicities emitted by the QP in the Ni+Au at 52 MeV/nucleon reaction. The results have been compared to the predictions of a theoretical model based on nucleon transfers. Their evolution is qualitatively reproduced as a function of the violence of the collision. (author)

  4. Proton-proton elastic scattering excitation functions at intermediate energies: Cross sections and analyzing powers

    CERN Document Server

    Hinterberger, F; Altmeier, M; Bauer, F; Bisplinghoff, J; Büsser, K; Busch, M; Colberg, T; Diehl, O; Dohrmann, F; Engelhardt, H P; Eversheim, P D; Felden, O; Gebel, R; Glende, M; Greiff, J; Gross-Hardt, R; Hinterberger, F; Jahn, R; Jonas, E; Krause, H; Langkau, R; Lindemann, T; Lindlein, J; Maier, R; Maschuw, R; Mayer-Kuckuk, T; Meinerzhagen, A; Naehle, O; Prasuhn, D; Rohdjess, H; Rosendaal, D; Von Rossen, P; Schirm, N; Schulz-Rojahn, M; Schwarz, V; Scobel, W; Trelle, H J; Weise, E; Wellinghausen, A; Woller, K; Ziegler, R

    2000-01-01

    The EDDA experiment at the cooler synchrotron COSY measures proton-proton elastic scattering excitation functions in the momentum range 0.8 - 3.4 GeV/c. In phase 1 of the experiment, spin-averaged differential cross sections were measured continuously during acceleration with an internal polypropylene (CH sub 2) fiber target, taking particular care to monitor luminosity as a function of beam momentum. In phase 2, excitation functions of the analyzing power A sub N and the polarization correlation parameters A sub N sub N , A sub S sub S and A sub S sub L are measured using a polarized proton beam and a polarized atomic hydrogen beam target. The paper presents recent d sigma/d OMEGA and A sub N data. The results provide excitation functions and angular distributions of high precision and internal consistency. No evidence for narrow structures was found. The data are compared to recent phase shift solutions.

  5. Industry-level total-factor energy efficiency in developed countries: A Japan-centered analysis

    International Nuclear Information System (INIS)

    Honma, Satoshi; Hu, Jin-Li

    2014-01-01

    Highlights: • This study compares Japan with other developed countries for energy efficiency at the industry level. • We compute the total-factor energy efficiency (TFEE) for industries in 14 developed countries in 1995–2005. • Energy conservation can be further optimized in Japan’s industry sector. • Japan experienced a slight decrease in the weighted TFEE from 0.986 in 1995 to 0.927 in 2005. • Japan should adapt energy conservation technologies from the primary benchmark countries: Germany, UK, and USA. - Abstract: Japan’s energy security is more vulnerable today than it was before the Fukushima Daiichi nuclear power plant accident in March 2011. To alleviate its energy vulnerability, Japan has no choice but to improve energy efficiency. To aid in this improvement, this study compares Japan’s energy efficiency at the industry level with that of other developed countries. We compute the total-factor energy efficiency (TFEE) of industries in 14 developed countries for 1995–2005 using data envelopment analysis. We use four inputs: labor, capital stock, energy, and non-energy intermediate inputs. Value added is the only relevant output. Results indicate that Japan can further optimize energy conservation because it experienced only a marginal decrease in the weighted TFEE, from 0.986 in 1995 to 0.927 in 2005. To improve inefficient industries, Japan should adapt energy conservation technologies from benchmark countries such as Germany, the United Kingdom, and the United States

  6. Reparameterization invariance of NRQED self-energy corrections and improved theory for excited D states in hydrogenlike systems

    International Nuclear Information System (INIS)

    Wundt, Benedikt J.; Jentschura, Ulrich D.

    2008-01-01

    Canonically, the quantum electrodynamic radiative corrections in bound systems have been evaluated in photon energy regularization, i.e., using a noncovariant overlapping parameter that separates the high-energy relativistic scales of the virtual quanta from the nonrelativistic domain. Here, we calculate the higher-order corrections to the one-photon self-energy calculation with three different overlapping parameters (photon energy, photon mass and dimensional regularization) and demonstrate the reparameterization invariance of nonrelativistic quantum electrodynamics (NRQED) using this particular example. We also present new techniques for the calculation of the low-energy part of this correction, which lead to results for the Lamb shift of highly excited states that are important for high-precision spectroscopy

  7. Reparameterization invariance of NRQED self-energy corrections and improved theory for excited D states in hydrogenlike systems

    Energy Technology Data Exchange (ETDEWEB)

    Wundt, Benedikt J. [Max-Planck-Institut fuer Kernphysik, Postfach 103980, 69029 Heidelberg (Germany); Jentschura, Ulrich D. [Max-Planck-Institut fuer Kernphysik, Postfach 103980, 69029 Heidelberg (Germany); Institut fuer Theoretische Physik, Philosophenweg 16, 69120 Heidelberg (Germany)], E-mail: ulrich.jentschura@mpi-hd.mpg.de

    2008-01-24

    Canonically, the quantum electrodynamic radiative corrections in bound systems have been evaluated in photon energy regularization, i.e., using a noncovariant overlapping parameter that separates the high-energy relativistic scales of the virtual quanta from the nonrelativistic domain. Here, we calculate the higher-order corrections to the one-photon self-energy calculation with three different overlapping parameters (photon energy, photon mass and dimensional regularization) and demonstrate the reparameterization invariance of nonrelativistic quantum electrodynamics (NRQED) using this particular example. We also present new techniques for the calculation of the low-energy part of this correction, which lead to results for the Lamb shift of highly excited states that are important for high-precision spectroscopy.

  8. Total kinetic energy in four global eddying ocean circulation models and over 5000 current meter records

    KAUST Repository

    Scott, Robert B.; Arbic, Brian K.; Chassignet, Eric P.; Coward, Andrew C.; Maltrud, Mathew; Merryfield, William J.; Srinivasan, Ashwanth; Varghese, Anson

    2010-01-01

    We compare the total kinetic energy (TKE) in four global eddying ocean circulation simulations with a global dataset of over 5000, quality controlled, moored current meter records. At individual mooring sites, there was considerable scatter between

  9. Low-energy scattering of excited helium atoms by rare gases

    International Nuclear Information System (INIS)

    Peach, G.

    1978-01-01

    The construction of semi-empirical model potentials for systems composed of helium in an excited state (Hestar) and a rare-gas atom (He or Ne) is described. The model of the atom-atom pair which has been adopted is one in which the excited electron is included explicitly, but the residual He + ion and the rare-gas atom are treated simply as cores which may be polarised. The results obtained are in satisfactory agreement with other calculations where they are available. (author)

  10. Excitation energy and angular momentum of quasiprojectiles produced in the Xe+Sn collisions at incident energies between 25 and 50 MeV/nucleon

    International Nuclear Information System (INIS)

    Steckmeyer, J.C.; Genouin-Duhamel, E.; Vient, E.; Colin, J.; Durand, D.; Auger, G.; Bacri, C.O.; Bellaize, N.; Borderie, B.; Bougault, R.; Bouriquet, B.; Brou, R.; Buchet, P.; Charvet, J.L.; Chbihi, A.; Cussol, D.; Dayras, R.; De Cesare, N.; Demeyer, A.; Dore, D.; Frankland, J.D.; Galichet, E.; Gerlic, E.; Guinet, D.; Hudan, S.; Lautesse, P.; Lavaud, F.; Laville, J.L.; Lecolley, J.F.; Leduc, C.; Legrain, R.; Le Neindre, N.; Lopez, O.; Louvel, M.; Maskay, A.M.; Nalpas, L.; Normand, J.; Parlog, M.; Pawlowski, P.; Plagnol, E.; Rivet, M.F.; Rosato, E.; Saint-Laurent, F.; Tabacaru, G.; Tamain, B.; Tassan-Got, L.; Tirel, O.; Turzo, K.; Vigilante, M.; Volant, C.; Wieleczko, J.P.

    2001-01-01

    The excitation energy and angular momentum transferred to quasiprojectiles have been measured in the 129 Xe+ nat Sn collisions at bombarding energies between 25 and 50 MeV/nucleon. The excitation energy of quasiprojectiles has been determined from the kinetic energy of all decay products (calorimetry). It increases with the violence of the collision, approaching 10 MeV/nucleon in the most dissipative ones. The angular momentum has been deduced from the kinetic energies and angular distributions of the emitted light charged particles (p, d, t, 3 He and α). The (apparent) spin value decreases with the violence of the collision. Larger spin values are observed at the lowest bombarding energy. Data are compared with the predictions of dynamical and statistical models. They reproduce the data in a quantitative way indicating that large spin values are transferred to quasiprojectiles during the interaction. The results show that the one-body dissipation formalism still applies at intermediate bombarding energies and low-energy dissipations. With the increase of the energy, the data seem to be better described when the two-body interaction is accounted for

  11. Associative ionization of neon and helium atoms by collisions of excited helium (31p) atoms of thermal energies

    International Nuclear Information System (INIS)

    Runge, Serge.

    1980-12-01

    The relative cross-sections of ionizing collisions between He + He and He + Ne atoms, have been studied, the helium being excited in a state (3 1 p) by a laser beam. The results obtained made it possible (a) to reveal in a direct manner the production of molecular ions He 2 + and He Ne + and (b) to determine the relative change in the associative ionizing cross-section in the area (0.035 - 0.17 eV) in the He (3 1 P) + Ne collision, despite the very short life of the He (3 1 P) excited state (1.7 ns). The production of He 2 + ions from an He (3 1 P) + He collision sets an upper limit to the appearance potential of these ions. The experimental study of the associative ionization in the He (3 1 P) + Ne system made it possible to extend the utilization of the GAMMA(R) self ionization model, already tested for the metastable states, to the radiative states. The GAMMA(R) model seems well suited for the description of collisions of the A excited + B type, where the excitation energy of A is greater than the ionization potential of B [fr

  12. Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties.

    Science.gov (United States)

    Freundorfer, Katrin; Kats, Daniel; Korona, Tatiana; Schütz, Martin

    2010-12-28

    A new multistate local CC2 response method for calculating excitation energies and first-order properties of excited triplet states in extended molecular systems is presented. The Laplace transform technique is employed to partition the left/right local CC2 eigenvalue problems as well as the linear equations determining the Lagrange multipliers needed for the properties. The doubles part in the equations can then be inverted on-the-fly and only effective equations for the singles part must be solved iteratively. The local approximation presented here is adaptive and state-specific. The density-fitting method is utilized to approximate the electron-repulsion integrals. The accuracy of the new method is tested by comparison to canonical reference values for a set of 12 test molecules and 62 excited triplet states. As an illustrative application example, the lowest four triplet states of 3-(5-(5-(4-(bis(4-(hexyloxy)phenyl)amino)phenyl)thiophene-2-yl)thiophene-2-yl)-2-cyanoacrylic acid, an organic sensitizer for solar-cell applications, are computed in the present work. No triplet charge-transfer states are detected among these states. This situation contrasts with the singlet states of this molecule, where the lowest singlet state has been recently found to correspond to an excited state with a pronounced charge-transfer character having a large transition strength.

  13. Relativistic total energy and chemical potential of heavy atoms and positive ions

    International Nuclear Information System (INIS)

    Hill, S.H.; Grout, P.J.; March, N.H.

    1984-01-01

    The relativistic Thomas-Fermi theory, with a finite nucleus, is used to study the variation of the chemical potential μ with atomic number Z and number of electrons N (N <= Z). The difference between the total energy of positive ions and that of the corresponding neutral atom has been obtained. The scaling predictions are confirmed by numerical calculations. The first principles calculation of the relativistic Thomas-Fermi total energy of neutral atoms is also studied. (author)

  14. Priority listing of industrial processes by total energy consumption and potential for savings. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Streb, A.J.

    1977-01-01

    A survey of eight of the most energy-intensive segments of the U.S. industry is made to quantify the energy consumed in the principal process units, to identify areas in which significant improvement appear possible, and to rank the process units in terms of total energy consumption and the potential for improvement. Data on the steel, paper, aluminum, textile, cement, and glass industries, petroleum refineries, and olefins and derivative products industries were compiled to help plan the development of new energy sources and to provide targets for energy conservation activities. (MCW)

  15. Regional total factor energy efficiency: An empirical analysis of industrial sector in China

    International Nuclear Information System (INIS)

    Wang, Zhao-Hua; Zeng, Hua-Lin; Wei, Yi-Ming; Zhang, Yi-Xiang

    2012-01-01

    Highlights: ► We evaluate energy efficiency under framework of total factor energy efficiency. ► We focus on industry sector of China. ► We use statistical data of industrial enterprises above designated size. ► Energy efficiencies among regions in China are obvious because of technological differences. ► Large scale of investment should be stopped especially in central and western regions. -- Abstract: The rapid growth of the Chinese economy has resulted in great pressure on energy consumption, especially the energy intensive sector – the industrial sector. To achieve sustainable development, China has to consider how to promote energy efficiency to meet the demand of Chinese rapid economic growth, as the energy efficiency of China is relatively low. Meanwhile, the appeal of energy saving and emission reduction has been made by the Chinese central government. Therefore, it is important to evaluate the energy efficiency of industrial sector in China and to assess efficiency development probabilities. The framework of total factor energy efficiency index is adopted to determine the discrepancy of energy efficiency in Chinese industrial sector based on the provincial statistical data of industrial enterprises above designated size in 30 provinces from 2005 to 2009, with gross industrial output as the output value and energy consumption, average remaining balance of capital assets and average amount of working force as the input values. Besides, in considerate of the regional divide of China, namely eastern, central, and western, and economic development differences in each region, energy efficiency of each region is also analysed in this paper. The results show that there is room for China to improve its energy efficiency, especially western provinces which have large amount of energy input excess. Generally speaking, insufficient technological investment and fail of reaching best scale of manufacture are two factors preventing China from energy

  16. POSITRON-ELECTRON DECAY OF SI-28, AT AN EXCITATION-ENERGY OF 50-MEV

    NARCIS (Netherlands)

    BUDA, A; BACELAR, JC; BALANDA, A; VANDERPLOEG, H; SUJKOWSKI, Z; VANDERWOUDE, A

    1993-01-01

    The electron-positron pair decay of Si-28 at 50 MeV excitation produced by the isospin T=0 (alpha + Mg-24) and the mixed isospin T=0,1 (He-3 + Mg-25) reactions has been studied using a special designed Positron-Electron pair spectrometer PEPSI.

  17. Positron-electron decay of 28Si at an excitation energy of 50 MeV

    International Nuclear Information System (INIS)

    Buda, A.; Bacelar, J.C.; Balanda, A.; Ploeg, H. van der; Sujkowski, Z.; Woude, A. van der

    1993-01-01

    The electron-positron pair decay of 28 Si at 50 MeV excitation produced by the isospin T=0 (α+ 24 Mg) and the mixed isospin T=0, 1 ( 3 He+ 25 Mg) reactions has been studied using a special designed Positron-Electron pair spectrometer PEPSI. (orig.)

  18. Oxygen auroral transition laser system excited by collisional and photolytic energy transfer

    International Nuclear Information System (INIS)

    Murray, J.R.; Powell, H.T.; Rhodes, C.K.

    1975-06-01

    The properties of laser media involving the auroral transition of atomic oxygen and analogous systems are examined. A discussion of the atomic properties, collisional mechanisms, excitation processes, and collisionally induced radiative phenomena is given. Crossing phenomena play a particularly important role in governing the dynamics of the medium

  19. Size-dependent piezoelectric energy-harvesting analysis of micro/nano bridges subjected to random ambient excitations

    Science.gov (United States)

    Radgolchin, Moeen; Moeenfard, Hamid

    2018-02-01

    The construction of self-powered micro-electro-mechanical units by converting the mechanical energy of the systems into electrical power has attracted much attention in recent years. While power harvesting from deterministic external excitations is state of the art, it has been much more difficult to derive mathematical models for scavenging electrical energy from ambient random vibrations, due to the stochastic nature of the excitations. The current research concerns analytical modeling of micro-bridge energy harvesters based on random vibration theory. Since classical elasticity fails to accurately predict the mechanical behavior of micro-structures, strain gradient theory is employed as a powerful tool to increase the accuracy of the random vibration modeling of the micro-harvester. Equations of motion of the system in the time domain are derived using the Lagrange approach. These are then utilized to determine the frequency and impulse responses of the structure. Assuming the energy harvester to be subjected to a combination of broadband and limited-band random support motion and transverse loading, closed-form expressions for mean, mean square, correlation and spectral density of the output power are derived. The suggested formulation is further exploited to investigate the effect of the different design parameters, including the geometric properties of the structure as well as the properties of the electrical circuit on the resulting power. Furthermore, the effect of length scale parameters on the harvested energy is investigated in detail. It is observed that the predictions of classical and even simple size-dependent theories (such as couple stress) appreciably differ from the findings of strain gradient theory on the basis of random vibration. This study presents a first-time modeling of micro-scale harvesters under stochastic excitations using a size-dependent approach and can be considered as a reliable foundation for future research in the field of

  20. Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States.

    Science.gov (United States)

    Tajti, Attila; Szalay, Péter G

    2016-11-08

    Describing electronically excited states of molecules accurately poses a challenging problem for theoretical methods. Popular second order techniques like Linear Response CC2 (CC2-LR), Partitioned Equation-of-Motion MBPT(2) (P-EOM-MBPT(2)), or Equation-of-Motion CCSD(2) (EOM-CCSD(2)) often produce results that are controversial and are ill-balanced with their accuracy on valence and Rydberg type states. In this study, we connect the theory of these methods and, to investigate the origin of their different behavior, establish a series of intermediate variants. The accuracy of these on excitation energies of singlet valence and Rydberg electronic states is benchmarked on a large sample against high-accuracy Linear Response CC3 references. The results reveal the role of individual terms of the second order similarity transformed Hamiltonian, and the reason for the bad performance of CC2-LR in the description of Rydberg states. We also clarify the importance of the T̂ 1 transformation employed in the CC2 procedure, which is found to be very small for vertical excitation energies.

  1. A Strategy for Magnifying Vibration in High-Energy Orbits of a Bistable Oscillator at Low Excitation Levels

    International Nuclear Information System (INIS)

    Wang Guang-Qing; Liao Wei-Hsin

    2015-01-01

    This work focuses on how to maintain a high-energy orbit motion of a bistable oscillator when subjected to a low level excitation. An elastic magnifier (EM) positioned between the base and the bistable oscillator is used to magnify the base vibration displacement to significantly enhance the output characteristics of the bistable oscillator. The dimensionless electromechanical equations of the bistable oscillator with an EM are derived, and the effects of the mass and stiffness ratios between the EM and the bistable oscillator on the output displacement are studied. It is shown that the jump phenomenon occurs at a lower excitation level with increasing the mass and stiffness ratios. With the comparison of the displacement trajectories and the phase portraits obtained from experiments, it is validated that the bistable oscillator with an EM can effectively oscillate in a high-energy orbit and can generate a superior output vibration at a low excitation level as compared with the bistable oscillator without an EM. (paper)

  2. Simple relations for the excitation energies E2 and the transition probabilities B (E2) of neighboring doubly even nuclides

    International Nuclear Information System (INIS)

    Patnaik, R.; Patra, R.; Satpathy, L.

    1975-01-01

    For even-even nuclei, the excitation energy E2 and the reduced transition probability B (E2) between the ground state and the first excited 2 + state have been considered. On the basis of different models, it is shown that for a nucleus N, Z the relations E2N, Z + E2N + 2,Z + 2 - E2N + 2, Z - E2N, Z + 2 approx. = 0 and B (E2)N, Z + B (E2)N + 2,Z + 2 - B (E2)N + 2,Z - B (E2)N, Z + 2 approx. = 0 hold good, except in certain specified regions. The goodness of these difference equations is tested with the available experimental data. The difference equation of Ross and Bhaduri is shown to follow from our approach. Some predictions of unmeasured E2 and B (E2) values have been made

  3. Spectroscopy of nitrophenolates in vacuo: effect of spacer, configuration, and microsolvation on the charge-transfer excitation energy.

    Science.gov (United States)

    Brøndsted Nielsen, Steen; Brøndsted Nielsen, Mogens; Rubio, Angel

    2014-04-15

    In a charge-transfer (CT) transition, electron density moves from one end of the molecule (donor) to the other end (acceptor). This type of transition is of paramount importance in nature, for example, in photosynthesis, and it governs the excitation of several protein biochromophores and luminophores such as the oxyluciferin anion that accounts for light emission from fireflies. Both transition energy and oscillator strength are linked to the coupling between the donor and acceptor groups: The weaker the coupling, the smaller the excitation energy. But a weak coupling necessarily also causes a low oscillator strength possibly preventing direct excitation (basically zero probability in the noncoupling case). The coupling is determined by the actual spacer between the two groups, and whether the spacer acts as an insulator or a conductor. However, it can be difficult or even impossible to distinguish the effect of the spacer from that of local solvent molecules that often cause large solvent shifts due to different ground-state and excited-state stabilization. This calls for gas-phase spectroscopy experiments where absorption by the isolated molecule is identified to unequivocally establish the intrinsic molecular properties with no perturbations from a microenvironment. From such insight, the effect of a protein microenvironment on the CT excited state can be deduced. In this Account, we review our results over the last 5 years from mass spectroscopy experiments using specially designed apparatus on several charged donor-acceptor ions that are based on the nitrophenolate moiety and π-extended derivatives, which are textbook examples of donor-acceptor chromophores. The phenolate oxygen is the donor, and the nitro group is the acceptor. The choice of this system is also based on the fact that phenolate is a common structural motif of biochromophores and luminophores, for example, it is a constituent of the oxyluciferin anion. A presentation of the setups used for

  4. Low-energy excitations of the correlation-gap insulator SmB6: A light-scattering study

    International Nuclear Information System (INIS)

    Nyhus, P.; Cooper, S.L.; Fisk, Z.; Sarrao, J.

    1997-01-01

    We present the results of Raman scattering studies of single-crystal SmB 6 for temperatures down to 4 K and in magnetic fields up to 8 T. At temperatures below T * ∼50K the electronic Raman continuum exhibits an abrupt redistribution of scattering intensity around a temperature-independent (open-quotes isobesticclose quotes) energy, Δ c ∼290cm -1 , reflecting the opening of a pseudogap which is larger than previously suggested by transport measurements. Additionally, the Raman response exhibits at least four well-defined excitations within the gap below T * . The field dependencies of some of these in-gap states are consistent with the expected g factor (g eff =2/7) for the Sm 3+ Γ 8 level, suggesting that these gap edge states are crystal-electric-field excitations of the Sm 3+ ion split by magnetoelastic coupling. copyright 1997 The American Physical Society

  5. Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

    2013-07-17

    We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV.

  6. Statistical description of massless excitations within a sphere with a linear equation of state and the dark energy case

    Science.gov (United States)

    Viaggiu, S.

    2018-04-01

    In this paper, we continue the investigations present in Refs. 1-3. In particular, we extend the theorem proved in Ref. 3 to any massless excitation in a given spherical box. As a first interesting result, we show that it is possible, contrary to the black hole case studied in detail in Refs. 1-3, to build macroscopic configurations with a dark energy equation of state. To this purpose, by requiring a stable configuration, a macroscopic dark fluid is obtained with an internal energy U scaling as the volume V, but with a fundamental correction looking like ˜ 1/R motivated by quantum fluctuations. Thanks to the proposition in Sec. 3 (and in Ref. 3 for gravitons), one can depict the dark energy in terms of massless excitations with a discrete spectrum. This fact opens the possibility to test a possible physical mechanism converting usual radiation into dark energy in a macroscopic configuration, also in a cosmological context. In fact, for example, in a Friedmann flat universe with a cosmological constant, particles are marginally trapped at the Hubble horizon for any given comoving observer.

  7. The fluorescence action spectra of some saturated hydrocarbon liquids for excitation energies above and below their ionization thresholds

    International Nuclear Information System (INIS)

    Ostafin, A.E.; Lipsky, S.

    1993-01-01

    Fluorescence action spectra have been obtained for the neat liquids, cis-decalin, trans-decalin, bicyclohexyl, cyclohexane, methylcyclohexane, isobutylcyclohexane, 2,3,4-trimethylpentane, 2,3-dimethylbutane, 3-methylhexane, 3-methylpentane, n-decane, n-dodecane, and n-pentadecane at excitation energies, ε, ranging from their absorption onsets (at ca. 7 eV) to 10.3 eV. For all compounds, with the exception of cis-decalin, the fluorescence quantum yield is observed to monotonically decline with increasing ε, reaching a minimum value at an energy, ε m (a few tenths of an eV above the liquid phase ionization threshold, ε l ) followed by a slow increase. In the case of cis-decalin, the fluorescence quantum yield remains constant over the entire range of excitation energies studied, permitting its use as a quantum counter replacing the standard sodium salicylate, at least over a spectral range from 185 to 120 nm. The recovery of the fluorescence quantum yield for ε>ε m is attributed to an increasing probability for electron ejection followed by e - +RH + geminate recombination, to produce an excited state of RH with energy less than ε l . From a simple analysis of the action spectrum, a lower bound estimate of the electron ejection probability, φ ± , is obtained as a function of ε. In the case of cyclohexane, where φ ± has been obtained by other techniques at ε congruent 10 eV, the lower bound estimate agrees with the experimental value. From this agreement, arguments are presented to make plausible the conjecture that in all these liquids, the initially produced e - +RH + geminate ion pair first rapidly internally converts to an ion-pair state ca

  8. The total kinetic energy release in the fast neutron-induced fission of {sup 232}Th

    Energy Technology Data Exchange (ETDEWEB)

    King, Jonathan; Yanez, Ricardo; Loveland, Walter; Barrett, J. Spencer; Oscar, Breland [Oregon State University, Dept. of Chemistry, Corvallis, OR (United States); Fotiades, Nikolaos; Tovesson, Fredrik; Young Lee, Hye [Los Alamos National Laboratory, Physics Division, Los Alamos, NM (United States)

    2017-12-15

    The post-emission total kinetic energy release (TKE) in the neutron-induced fission of {sup 232}Th was measured (using white spectrum neutrons from LANSCE) for neutron energies from E{sub n} = 3 to 91 MeV. In this energy range the average post-neutron total kinetic energy release decreases from 162.3 ± 0.3 at E{sub n} = 3 MeV to 154.9 ± 0.3 MeV at E{sub n} = 91 MeV. Analysis of the fission mass distributions indicates that the decrease in TKE with increasing neutron energy is a combination of increasing yields of symmetric fission (which has a lower associated TKE) and a decrease in the TKE release in asymmetric fission. (orig.)

  9. Solar Total Energy Project (STEP) Performance Analysis of High Temperature Energy Storage Subsystem

    Science.gov (United States)

    Moore, D. M.

    1984-01-01

    The 1982 milestones and lessons learned; performance in 1983; a typical day's operation; collector field performance and thermal losses; and formal testing are highlighted. An initial test that involves characterizing the high temperature storage (hts) subsystem is emphasized. The primary element is on 11,000 gallon storage tank that provides energy to the steam generator during transient solar conditions or extends operating time. Overnight, thermal losses were analyzed. The length of time the system is operated at various levels of cogeneration using stored energy is reviewed.

  10. Total Energy of Charged Black Holes in Einstein-Maxwell-Dilaton-Axion Theory

    Directory of Open Access Journals (Sweden)

    Murat Korunur

    2012-01-01

    Full Text Available We focus on the energy content (including matter and fields of the Møller energy-momentum complex in the framework of Einstein-Maxwell-Dilaton-Axion (EMDA theory using teleparallel gravity. We perform the required calculations for some specific charged black hole models, and we find that total energy distributions associated with asymptotically flat black holes are proportional to the gravitational mass. On the other hand, we see that the energy of the asymptotically nonflat black holes diverge in a limiting case.

  11. Relation between total shock energy and mortality in patients with implantable cardioverter-defibrillator.

    Science.gov (United States)

    Tenma, Taro; Yokoshiki, Hisashi; Mitsuyama, Hirofumi; Watanabe, Masaya; Mizukami, Kazuya; Kamada, Rui; Takahashi, Masayuki; Sasaki, Ryo; Maeno, Motoki; Okamoto, Kaori; Chiba, Yuki; Anzai, Toshihisa

    2018-05-15

    Implantable Cardioverter-Defibrillator (ICD) shocks have been associated with mortality. However, no study has examined the relation between total shock energy and mortality. The aim of this study is to assess the association of total shock energy with mortality, and to determine the patients who are at risk of this association. Data from 316 consecutive patients who underwent initial ICD implantation in our hospital between 2000 and 2011 were retrospectively studied. We collected shock energy for 3 years from the ICD implantation, and determined the relation of shock energy on mortality after adjusting confounding factors. Eighty-seven ICD recipients experienced shock(s) within 3 years from ICD implantation and 43 patients had died during the follow-up. The amount of shock energy was significantly associated with all-cause death [adjusted hazard ratio (HR) 1.26 (per 100 joule increase), p energy accumulation (≥182 joule) was lower (p energy accumulation (energy accumulation and all-cause death was remarkable in the patients with low left ventricular ejection fraction (LVEF ≤40%) or atrial fibrillation (AF). Increase of shock energy was related to mortality in ICD recipients. This relation was evident in patients with low LVEF or AF. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. Photon energy dependence of left-right asymmetry parameters of Kr 4p photoelectrons in the vicinity of 3d resonant excitations

    International Nuclear Information System (INIS)

    Ricz, S.; Holste, K.; Borovik, Jr.A.A.; Bernhardt, D.; Schippers, S.; Muller, A.; Kover, A.; Varga, D.

    2011-01-01

    Complete text of publication follows. A left-right asymmetry was observed experimentally for the outer s-shell photoelectrons of noble gases and of the H 2 molecule in our previous studies (see the cited articles for the definition of 'left' and 'right' as well as for the details of the experimental method). Recently, the angular distribution of 4p photoelectrons of Kr was measured with linearly polarized synchrotron radiation in the photon energy range (90 - 94.4 eV) of the 3d -1 → np resonant excitations in order to determine the anisotropy parameters. Now, also the left-right asymmetry parameters have been determined from the measured spectra of Ref. [3]. The experiment was performed at beamline BW3 of the DORIS III storage ring at HASYLAB (Hamburg, Germany). The emitted electrons were analyzed using the ESA-22D electrostatic electron spectrometer. Fig. 1 shows the measured left-right asymmetry parameters (A LR ) of the two fine structure components of Kr 4p photoelectrons. The asymmetry parameters (A LR ) are increasing with increasing photon energies reaching a maximum value of 0.04, definitely different from zero when considering the error bars. Furthermore, the left-right asymmetry parameters oscillate around the (3d 3/2,5/2 ) -1 → 5p resonant excitation for both fine structure components. Currently, we do not know what kind of interaction can produce a left-right asymmetry in photon-atom collisions but the shape of the oscillations shows interference between the unknown and the resonant excitation channels. One of the most important observations is that the sign of A LR changes from positive to negative and then back again to positive just within a narrow photon energy range of only 250 meV around the (3d 5/2 ) -1 → 5p resonant excitation. Within such a narrow range artificial asymmetry of the experimental setup is totally unconceivable. Acknowledgements. The authors thank the DORIS III staff for providing excellent working conditions. This work was

  13. Excitation energy transfer in ruthenium (II)-porphyrin conjugates led to enhanced emission quantum yield and 1O2 generation

    International Nuclear Information System (INIS)

    Pan, Jie; Jiang, Lijun; Chan, Chi-Fai; Tsoi, Tik-Hung; Shiu, Kwok-Keung; Kwong, Daniel W.J.; Wong, Wing-Tak; Wong, Wai-Kwok; Wong, Ka-Leung

    2017-01-01

    Porphyrins are good photodynamic therapy (PDT) agents due to its flexibility for modifications to achieve tumor localization and photo-cytotoxicity against cancer. Yet they are not perfect. In a Ru(polypyridyl)-porphyrin system, the Ru(polypyridyl) moiety improves the water solubility and cell permeability. Consider the similar excited state energies between Ru(polypyridyl) and porphyrin moieties; a small perturbation (e.g. Zn(II) metalation) would lead to a marked change in the energy migration process. In this work, we have synthesized a series of porphyrins conjugated with Ru(polypyridyl) complexes using different linkers and investigated their photophysical properties, which included singlet oxygen quantum yield and their in vitro biological properties, resulting from linker variation and porphyrin modification by Zn(II) metalation. - Graphical abstract: Four amphiphilic ruthenium(II)-porphyrin complexes were prepared that display energy transfer conversion with zinc coordination, lysosome specific target, low dark toxicity and efficient photodynamic therapy.

  14. An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

    Science.gov (United States)

    Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

    2015-09-28

    We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

  15. Comparison of stress and total energy methods for calculation of elastic properties of semiconductors.

    Science.gov (United States)

    Caro, M A; Schulz, S; O'Reilly, E P

    2013-01-16

    We explore the calculation of the elastic properties of zinc-blende and wurtzite semiconductors using two different approaches: one based on stress and the other on total energy as a function of strain. The calculations are carried out within the framework of density functional theory in the local density approximation, with the plane wave-based package VASP. We use AlN as a test system, with some results also shown for selected other materials (C, Si, GaAs and GaN). Differences are found in convergence rate between the two methods, especially in low symmetry cases, where there is a much slower convergence for total energy calculations with respect to the number of plane waves and k points used. The stress method is observed to be more robust than the total energy method with respect to the residual error in the elastic constants calculated for different strain branches in the systems studied.

  16. Suppression of Squeal Noise Excited by the Pressure Pulsation from the Flapper-Nozzle Valve inside a Hydraulic Energy System

    Directory of Open Access Journals (Sweden)

    Meng Chen

    2018-04-01

    Full Text Available Squeal noise often occurs in a two-stage electrohydraulic servo-valve, which is an unfavorable issue of modern hydraulic energy systems. The root causes of such noise from the servo-valve are still unclear. The objective of this paper is to explore the noise mechanism in a servo-valve excited by the pressure pulsations from the hydraulic energy system perspective. The suppressing capability of squeal noise energy is investigated by changing the pressure pulsation frequency and natural frequency of the flapper-armature assembly. The frequencies of the pressure pulsations are adjusted by setting different speeds of the hydraulic pump varying from 10,400–14,400 rpm, and two flapper-armature assemblies with different armature lengths are used in the tested hydraulic energy system. The first eight vibration mode shapes and natural frequencies of the flapper-armature assembly are obtained by numerical modal analysis using two different armature lengths. The characteristics of pressure pulsations at the pump outlet and in the chamber of the flapper-nozzle valve, armature vibration and noise are tested and compared with the natural frequencies of the flapper-armature assembly. The results reveal that the flapper-armature assembly vibrates and makes the noise with the same frequencies as the pressure pulsations inside the hydraulic energy system. Resonance appears when the frequency of the pressure pulsations coincides with the natural frequency of the flapper-armature assembly. Therefore, it can be concluded that the pressure pulsation energy from the power supply may excite the vibration of the flapper-armature assembly, which may consequently cause the squeal noise inside the servo-valve. It is verified by the numerical simulations and experiments that setting the pressure pulsation frequencies different from the natural frequencies of the flapper-armature assembly can suppress the resonance and squeal noise.

  17. Design and Analysis of a Linear Hybrid Excitation Flux-Switching Generator for Direct Drive Wave Energy Converters

    Directory of Open Access Journals (Sweden)

    Lei Huang

    2013-01-01

    Full Text Available Linear generators have the advantage of a simple structure of the secondary, which is suitable for the application of wave energy conversion. Based on the vernier hybrid machines (VHMs, widely used for direct drive wave energy converters, this paper proposes a novel hybrid excitation flux-switching generator (LHEFSG, which can effectively improve the performance of this kind of generators. DC hybrid excitation windings and multitooth structure were used in the proposed generator to increase the magnetic energy and overcome the disadvantages of easily irreversible demagnetization of VHMs. Firstly, the operation principle and structure of the proposed generator are introduced. Secondly, by using the finite element method, the no-load performance of the proposed generator is analyzed and composed with ones of conventional VHM. In addition, the on-load performance of the proposed generator is obtained by finite element analysis (FEA. A dislocation of pole alignments method is implemented to reduce the cogging force. Lastly, a prototype of the linear flux-switching generator is used to verify the correctness of FEA results. All the results validate that the proposed generator has better performance than its counterparts.

  18. Charge transfer in low-energy collisions of H with He+ and H+ with He in excited states

    Science.gov (United States)

    Loreau, J.; Ryabchenko, S.; Muñoz Burgos, J. M.; Vaeck, N.

    2018-04-01

    The charge transfer process in collisions of excited (n = 2, 3) hydrogen atoms with He+ and in collisions of excited helium atoms with H+ is studied theoretically. A combination of a fully quantum-mechanical method and a semi-classical approach is employed to calculate the charge-exchange cross sections at collision energies from 0.1 eV u‑1 up to 1 keV u‑1. These methods are based on accurate ab initio potential energy curves and non-adiabatic couplings for the molecular ion HeH+. Charge transfer can occur either in singlet or in triplet states, and the differences between the singlet and triplet spin manifolds are discussed. The dependence of the cross section on the quantum numbers n and l of the initial state is demonstrated. The isotope effect on the charge transfer cross sections, arising at low collision energy when H is substituted by D or T, is investigated. Rate coefficients are calculated for all isotopes up to 106 K. Finally, the impact of the present calculations on models of laboratory plasmas is discussed.

  19. Towards limits of excitation energy in the reaction 3He(1.8 GeV) + natAg

    International Nuclear Information System (INIS)

    Pollacco, E.C.; Brzychczyk, J.; Volant, C.; Legrain, R.; Nalpas, L.; Bracken, D.S.; Kwiatkowski, K.; Morley, K.B.; Foxford, E.R.; Viola, V.E.; Yoder, N.R.

    1996-03-01

    Hot nuclei are studied, where through an appropriate choice of incident channel and event selection, dynamical effects are attenuated and multifragmentation is limited. Three preparatory results are given, the 3 He(1.8 GeV) + nat Ag can be described using an intranuclear cascade, INC, model; through a suitable selection of events a limit of the excitation energy that a nucleus can absorb without breaking into large pieces is given, it is shown that corresponding alpha decay is consistent with an evaporative process. (K.A.)

  20. The energy gap at Z=64 and its implications for the structure of excited states in the A approximately 150

    International Nuclear Information System (INIS)

    Broda, R.

    1980-01-01

    The experimental results are presented indicating the existence of the energy gap in the single particle level sequence at proton number Z=64. Studied experimentally yrast states of the 64 146 Gd 82 closed core nucleus and of the neighbouring nuclei are interpreted within the framework of the spherical shell model. The consideration of the simple shell model multiparticle configurations is suggested to explain the observed frequent appearance of the high-spin isomers in nuclei of the A approximately 150 region. Emphasized is the role of the octupole excitations in the level structures of considered nuclei and some aspects of the coupling of octupole vibrations with valence nucleons are discussed. (author)

  1. Excited baryons

    International Nuclear Information System (INIS)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested

  2. Excited baryons

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested. (LEW)

  3. Environment-adjusted total-factor energy efficiency of Taiwan's service sectors

    International Nuclear Information System (INIS)

    Fang, Chin-Yi; Hu, Jin-Li; Lou, Tze-Kai

    2013-01-01

    This study computes the pure technical efficiency (PTE) and energy-saving target of Taiwan's service sectors during 2001–2008 by using the input-oriented data envelopment analysis (DEA) approach with the assumption of a variable returns-to-scale (VRS) situation. This paper further investigates the effects of industry characteristics on the energy-saving target by applying the four-stage DEA proposed by Fried et al. (1999). We also calculate the pre-adjusted and environment-adjusted total-factor energy efficiency (TFEE) scores in these service sectors. There are three inputs (labor, capital stock, and energy consumption) and a single output (real GDP) in the DEA model. The most energy efficient service sector is finance, insurance and real estate, which has an average TFEE of 0.994 and an environment-adjusted TFEE (EATFEE) of 0.807. The study utilizes the panel-data, random-effects Tobit regression model with the energy-saving target (EST) as the dependent variable. Those service industries with a larger GDP output have greater excess use of energy. The capital–labor ratio has a significantly positive effect while the time trend variable has a significantly negative impact on the EST, suggesting that future new capital investment should also be accompanied with energy-saving technology in the service sectors. - Highlights: • The technical efficiency and energy-saving target of service sectors are assessed. • The pre-adjusted and environment-adjusted total-factor energy efficiency scores in services are assessed. • The industrial characteristic differences are examined by the panel-data, random-effects Tobit regression model. • Labor, capital, and energy and an output (GDP) are included in the DEA model. • Future new capital investment should also be accompanied with energy-saving technology in the service sectors

  4. Low energy excitations in fermionic spin glasses: A quantum-dynamical image of Parisi symmetry breaking

    International Nuclear Information System (INIS)

    Oppermann, R.; Rosenow, B.

    1997-10-01

    We report large effects of Parisi replica permutation symmetry breaking (RPSB) on elementary excitations of fermionic systems with frustrated magnetic interactions. The electronic density of states is obtained exactly in the zero temperature limit for (K = 1)- step RPSB together with relations for arbitrary breaking K, which lead to a new fermionic and dynamical Parisi solution at K = ∞. The Ward identity for charge conservation indicates RPSB-effects on the conductivity in metallic quantum spin glasses. This implies that RPSB is essential for any fermionic system showing spin glass sections within its phase diagram. An astonishing similarity with a neural network problem is also observed. (author)

  5. Spin-orbit excitation energies, anisotropic exchange, and magnetic phases of honeycomb RuCl3

    OpenAIRE

    Yadav, Ravi; Bogdanov, Nikolay A.; Katukuri, Vamshi M.; Nishimoto, Satoshi; Brink, Jeroen van den; Hozoi, Liviu

    2016-01-01

    Large anisotropic exchange in 5d and 4d oxides and halides open the door to new types of magnetic ground states and excitations, inconceivable a decade ago. A prominent case is the Kitaev spin liquid, host of remarkable properties such as protection of quantum information and the emergence of Majorana fermions. Here we discuss the promise for spin-liquid behavior in the 4d 5 honeycomb halide ?-RuCl3. From advanced electronic-structure calculations, we find that the Kitaev interaction is ferro...

  6. Optimization of stand-alone photovoltaic systems with hydrogen storage for total energy self-sufficiency

    Energy Technology Data Exchange (ETDEWEB)

    Lund, P D [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

    1991-01-01

    A new method for optimization of stand-alone photovoltaic-hydrogen energy systems is presented. The methodology gives the optimum values for the solar array and hydrogen storage size for any given system configuration and geographical site. Sensitivity analyses have been performed to study the effect of subsystem efficiencies on the total system performance and sizing, and also to identify possibilities for further improvements. Optimum system configurations have also been derived. The results indicate that a solar-hydrogen energy system is a very promising potential alternative for low power applications requiring a total electricity self-sufficiency. (Author).

  7. DWBA differential and total pair production cross sections for intermediate energy photons

    International Nuclear Information System (INIS)

    Selvaraju, C.; Bhullar, A.S.; Sud, K.K.

    2001-01-01

    We present in this communication the theoretical differential and total cross section for electron-positron pair creation by intermediate energy photons (5.0-10.0 MeV) on different targets (Z=1, 30, 50, 68, 82 and 92). The computed cross sections are in distorted wave Born approximation (DWBA) in point Coulomb potential. The database of the differential and total pair production cross sections is presented in tabulated as well as in graphical form and the interpolation of differential cross sections for different atomic numbers, positron and photon energies is discussed

  8. Total electron scattering cross sections for methanol and ethanol at intermediate energies

    International Nuclear Information System (INIS)

    Silva, D G M; Tejo, T; Lopes, M C A; Muse, J; Romero, D; Khakoo, M A

    2010-01-01

    Absolute total cross section (TCS) measurements of electron scattering from gaseous methanol and ethanol molecules are reported for impact energies from 60 to 500 eV, using the linear transmission method. The attenuation of intensity of a collimated electron beam through the target volume is used to determine the absolute TCS for a given impact energy, using the Beer-Lambert law to first approximation. Besides these experimental measurements, we have also determined TCS using the additivity rule.

  9. Hadronic multiplicity and total cross-section: a new scaling in wide energy range

    International Nuclear Information System (INIS)

    Kobylinsky, N.A.; Martynov, E.S.; Shelest, V.P.

    1983-01-01

    The ratio of mean multiplicity to total cross-section is shown to be the same for all the Regge models and to rise with energy as lns which is confirmed by experimental data. Hence, a power of multiplicity growth is unambiguously connected with that of total cross-section. As regards the observed growth, approximately ln 2 s, it tells about a dipole character of pomeron singularity

  10. Total cross sections of hadron interactions at high energies in low constituents number model

    International Nuclear Information System (INIS)

    Abramovskij, V.A.; Radchenko, N.V.

    2009-01-01

    We consider QCD hadrons interaction model in which gluons density is low in initial state wave function in rapidity space and real hadrons are produced from color strings decay. In this model behavior of total cross sections of pp, pp bar, π ± p, K ± p, γp, and γγ interactions is well described. The value of proton-proton total cross section at LHC energy is predicted

  11. Energy Flow Exciting Field-Aligned Current at Substorm Expansion Onset

    Science.gov (United States)

    Ebihara, Y.; Tanaka, T.

    2017-12-01

    At substorm expansion onset, upward field-aligned currents (FACs) increase abruptly, and a large amount of electromagnetic energy starts to consume in the polar ionosphere. A question arises as to where the energy comes from. Based on the results obtained by the global magnetohydrodynamics simulation, we present energy flow and energy conversion associated with the upward FACs that manifest the onset. Our simulations show that the cusp/mantle region transmits electromagnetic energy to almost the entire region of the magnetosphere when the interplanetary magnetic field is southward. Integral curve of the Poynting flux shows a spiral moving toward the ionosphere, probably suggesting the pathway of electromagnetic energy from the cusp/mantle dynamo to the ionosphere. The near-Earth reconnection initiates three-dimensional redistribution of the magnetosphere. Flow shear in the near-Earth region results in the generation of the near-Earth dynamo and the onset FACs. The onset FACs are responsible to transport the electromagnetic energy toward the Earth. In the near-Earth region, the electromagnetic energy coming from the cusp/mantle dynamo is converted to the kinetic energy (known as bursty bulk flow) and the thermal energy (associated with high-pressure region in the inner magnetosphere). Then, they are converted to the electromagnetic energy associated with the onset FACs. A part of electromagnetic energy is stored in the lobe region during the growth phase. The release of the stored energy, together with the continuously supplied energy from the cusp/mantle dynamo, contributes to the energy supply to the ionosphere during the expansion phase.

  12. Analysis of the Dynamic Performance of Self-Excited Induction Generators Employed in Renewable Energy Generation

    Directory of Open Access Journals (Sweden)

    Mohamed E. A. Farrag

    2014-01-01

    Full Text Available Incentives, such as the Feed-in-tariff are expected to lead to continuous increase in the deployment of Small Scale Embedded Generation (SSEG in the distribution network. Self-Excited Induction Generators (SEIG represent a significant segment of potential SSEG. The quality of SEIG output voltage magnitude and frequency is investigated in this paper to support the SEIG operation for different network operating conditions. The dynamic behaviour of the SEIG resulting from disconnection, reconnection from/to the grid and potential operation in islanding mode is studied in detail. The local load and reactive power supply are the key factors that determine the SEIG performance, as they have significant influence on the voltage and frequency change after disconnection from the grid. Hence, the aim of this work is to identify the optimum combination of the reactive power supply (essential for self excitation of the SEIG and the active load (essential for balancing power generation and demand. This is required in order to support the SEIG operation after disconnection from the grid, during islanding and reconnection to the grid. The results show that the generator voltage and speed (frequency can be controlled and maintained within the statuary limits. This will enable safe disconnection and reconnection of the SEIG from/to the grid and makes it easier to operate in islanding mode.

  13. A comment on the calculation of the total-factor energy efficiency (TFEE) index

    International Nuclear Information System (INIS)

    Chang, Ming-Chung

    2013-01-01

    This study provides a no-output growth model to conveniently calculate the total-factor energy efficiency (TFEE) index originally proposed by Hu and Wang (2006). The TFEE index serves as a very well-known and popular means of estimating overall energy efficiency. While many previous studies have used the indicator of energy inefficiency, including the indicator of energy intensity (i.e., Energy input/Gross Domestic Product (GDP)) to measure energy efficiency, Hu and Kao (2007) point out that the indicator of energy intensity is not only a partial-factor energy efficiency indicator, but that this partial-factor ratio is also quite inappropriate for analyzing the impact of changing energy use over time. The TFEE index overcomes the disadvantage of the indicator of energy intensity as mentioned above, but five steps are needed to calculate the TFEE score. In this study, we provide a no-output growth model to conveniently calculate the TFEE score. Furthermore, we extend this no-output growth model to an output growth model. This study concludes that the output growth model not only makes it easier to calculate the TFEE index than the model proposed by Hu and Wang (2006) and Hu and Kao (2007), but that it can also obtain better TFEE scores. - Highlights: ► The comment is on the total-factor energy efficiency (TFEE) index. ► Two extension models are no-output growth model and output growth model. ► The model in this study makes it easier to calculate the TFEE index.

  14. Calculations of Excitation Functions of Some Structural Fusion Materials for ( n, t) Reactions up to 50 MeV Energy

    Science.gov (United States)

    Tel, E.; Durgu, C.; Aktı, N. N.; Okuducu, Ş.

    2010-06-01

    Fusion serves an inexhaustible energy for humankind. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, there is still a long way to go to penetrate commercial fusion reactors to the energy market. Tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. So, the working out the systematics of ( n, t) reaction cross sections is of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at different energies. In this study, ( n, t) reactions for some structural fusion materials such as 27Al, 51V, 52Cr, 55Mn, and 56Fe have been investigated. The new calculations on the excitation functions of 27Al( n, t)25Mg, 51V( n, t)49Ti, 52Cr( n, t)50V, 55Mn( n, t)53Cr and 56Fe( n, t)54Mn reactions have been carried out up to 50 MeV incident neutron energy. In these calculations, the pre-equilibrium and equilibrium effects have been investigated. The pre-equilibrium calculations involve the new evaluated the geometry dependent hybrid model, hybrid model and the cascade exciton model. Equilibrium effects are calculated according to the Weisskopf-Ewing model. Also in the present work, we have calculated ( n, t) reaction cross-sections by using new evaluated semi-empirical formulas developed by Tel et al. at 14-15 MeV energy. The calculated results are discussed and compared with the experimental data taken from the literature.

  15. The conditions for total reflection of low-energy atoms from crystal surfaces

    International Nuclear Information System (INIS)

    Hou, M.; Robinson, M.T.

    1978-01-01

    The critical angles for the total reflection of low-energy particles from Cu rows and (001) planes have been investigated, using the binary collision approximation computer simulation code MARLOWE Breakthrough angles were evaluated for H, N, Ne, Ar, Cu, Xe, and Au in the energy range from 0.1 to 7.5 keV. In both the axial and the planar cases, recoiling of the target atoms lowers the energy barrier which the target surface presents to the heavy projectiles. Consequently, the breakthrough angles are reduced for heavy projectiles below the values expected either from observations on light projectiles or from analytical channeling theory. (orig.) [de

  16. Total cross section for hadron production by e+e- annihilation at PETRA energies

    International Nuclear Information System (INIS)

    Bartel, W.; Canzler, T.; Cords, D.; Dittmann, P.; Eichler, R.; Felst, R.; Godermann, E.; Haidt, D.; Kawabata, S.; Krehbiel, H.

    1979-10-01

    The cross section for the process e + e - → multihadrons has been measured at the highest PETRA energies. We measure R (the total cross-section in units of the point-like e + e - → μ + μ - cross-section) to be 2.9 +- 0.7, 4.0 +- 0.5, 4.6 +- 0.4 and 4.2 +- 0.6 at √s of 22, 27.7, 30 and 31.6 GeV respectively. The observed average multiplicity, together with existing low energy data, indicate a rapid increase in multiplicity with increasing energy. (orig.)

  17. Activities Contributing to Total Energy Expenditure in the United States: Results from the NHAPS Study

    Directory of Open Access Journals (Sweden)

    Block Gladys

    2004-02-01

    Full Text Available Abstract Background Physical activity is increasingly recognized as an important factor influencing health and disease status. Total energy expenditure, both low-intensity and high-intensity, contributes to maintenance of healthy body weight. This paper presents the results of a quantitative approach to determining the activities that contribute to total energy expenditure in the United States. Methods Data from the National Human Activity Pattern Survey (NHAPS were used. In 1992–1994 the NHAPS sampled 4,185 females and 3,330 males, aged 18 years and over, weighted to be representative of the 48 contiguous United States. A detailed report of each activity performed in the previous 24 hours was obtained. A score was created for each activity, by multiplying duration and intensity for each individual and summing across individuals. This score was then used to rank each activity according to its contribution to total population energy expenditure, for the total sample and separately for each gender, race, age, region, and season. Results This analysis reveals our society to be primarily sedentary; leisure time physical activity contributed only approximately 5% of the population's total energy expenditure. Not counting sleeping, the largest contributor to energy expenditure was "Driving a car", followed by "Office work" and "Watching TV". Household activities accounted for 20.1% and 33.3% of energy expenditure for males and females respectively. Conclusion The information presented in this paper may be useful in identifying common activities that could be appropriate targets for behavioral interventions to increase physical activity.

  18. Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations

    OpenAIRE

    Ren, Xinguo; Rinke, Patrick; Tkatchenko, Alexandre; Scheffler, Matthias

    2010-01-01

    The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice-evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals-leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior ca...

  19. Changes in Energy Cost and Total External Work of Muscles in Elite Race Walkers Walking at Different Speeds

    Directory of Open Access Journals (Sweden)

    Chwała Wiesław

    2014-12-01

    Full Text Available The aim of the study was to assess energy cost and total external work (total energy depending on the speed of race walking. Another objective was to determine the contribution of external work to total energy cost of walking at technical, threshold and racing speed in elite competitive race walkers.

  20. A new ab initio potential energy surface for the collisional excitation of N2H+ by H2

    International Nuclear Information System (INIS)

    Spielfiedel, Annie; Balança, Christian; Feautrier, Nicole; Senent, Maria Luisa; Kalugina, Yulia; Scribano, Yohann; Lique, François

    2015-01-01

    We compute a new potential energy surface (PES) for the study of the inelastic collisions between N 2 H + and H 2 molecules. A preliminary study of the reactivity of N 2 H + with H 2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N 2 H + –H 2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm −1 . Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N 2 H + and H 2 should be very difficult to carry out. To overcome this difficulty, the “adiabatic-hindered-rotor” treatment, which allows para-H 2 (j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculations

  1. A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2.

    Science.gov (United States)

    Spielfiedel, Annie; Senent, Maria Luisa; Kalugina, Yulia; Scribano, Yohann; Balança, Christian; Lique, François; Feautrier, Nicole

    2015-07-14

    We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2H(+) and H2 molecules. A preliminary study of the reactivity of N2H(+) with H2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N2H(+)-H2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm(-1). Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N2H(+) and H2 should be very difficult to carry out. To overcome this difficulty, the "adiabatic-hindered-rotor" treatment, which allows para-H2(j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculations.

  2. Measurement of the total solar energy transmittance (g-value) for conventional glazings

    DEFF Research Database (Denmark)

    Duer, Karsten

    1998-01-01

    Three different glazings have been investigated in the Danish experimental setup METSET. (A device for calorimetric measurement of total solar energy transmittance - g-value).The purpose of the measurements is to increase the confidence in the calorimetric measurements. This is done by comparison...

  3. Mechanical properties of carbynes investigated by ab initio total-energy calculations

    DEFF Research Database (Denmark)

    Castelli, Ivano E.; Salvestrini, Paolo; Manini, Nicola

    2012-01-01

    As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab initio total-energy simulations. In particular, we evaluate their linear...

  4. Analyzing powers of inelastic dp-scattering in the energy region of delta and roper resonances excitation

    International Nuclear Information System (INIS)

    Malinina, L.V.; Alkhazov, G.D.; Augustyniak, W.

    2001-01-01

    A study of inelastic scattering of polarized 3.73 GeV/c deuterons on protons in the energy region of the Roper N* (1440) and the Δ(1232) resonances excitation has been performed in an exclusive experiment at LNS (Laboratoire National SATURNE, Saclay, France) using the SPES4-π setup. Tensor and vector analyzing powers of pion production for the reactions d+p→d+n+π + , d+p→d+p+π 0 , d+p→d+N+ππ have been measured as functions of the squared deuteron 4-momentum transfer t, of the effective mass of the subsystems (Nπ), (Nππ) and of the pion emission angle. A strong dependence of these analyzing powers upon the pion emission angle is observed. It is found that A yy values for the considered reaction channels are systematically larger than the known inclusive p(d,d')X world data at the nearest beam energy

  5. Analyzing Powers of Inelastic dp-Scattering in the Energy Region of Delta and Roper Resonances Excitation

    CERN Document Server

    Malinina, L V; Augustyniak, W; Boivin, M; Boyard, J L; Dahl, R; Drews, M; Ellegaard, C; Fahri, L; Gaarde, C; Hennino, T; Jourdain, J C; Kagarlis, M A; Kravtsov, A V; Künne, R A; Larsen, J C; Morsch, P; Mylnikov, V A; Orichtchin, E M; Perdrisat, C F; Piskunov, N M; Prokofiev, A N; Punjabi, V; Radvanyi, P; Ramstein, B; Razmyslovich, B V; Roy-Stephan, M; Sitnik, I M; Skousen, M; Strokovsky, E A; Tkach, I I; Tomasi-Gustafsson, E; Volkov, S S; Zhdanov, A A; Zupranski, P

    2001-01-01

    A study of inelastic scattering of polarized 3.73 GeV/c deuterons on protons in the energy region of the Roper N*(1440) and the {DELTA}(1232) resonances excitation has been performed in an exclusive experiment at LNS (Laboratoire National SATURNE, Saclay, France) using the SPES-{pi} setup.Tensor and vector analyzing powers of pion production for the reactions d + p {\\to} d + n + pi^{+}, d + p {\\to} d + p + pi^{0}, d + p {\\to} d + N + pi pi have been measured as functions of the squared deuteron 4-momentum transfer t, of the effective mass of the subsystems (N pi), (N pi pi) and of the pion emission angle. A strong dependence of these analyzing powers upon the pion emission angle is observed. It is found that A_{yy} values for the considered reaction channels are systematically larger than the known inclusive {p (d, d {\\prime}) X} world data at the nearest beam energy.

  6. Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states

    Energy Technology Data Exchange (ETDEWEB)

    Ledermüller, Katrin; Schütz, Martin, E-mail: martin.schuetz@chemie.uni-regensburg.de [Institute of Physical and Theoretical Chemistry, University of Regensburg, Universitätsstraße 31, D-93040 Regensburg (Germany)

    2014-04-28

    A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

  7. Local CC2 response method based on the Laplace transform: analytic energy gradients for ground and excited states.

    Science.gov (United States)

    Ledermüller, Katrin; Schütz, Martin

    2014-04-28

    A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

  8. Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states

    International Nuclear Information System (INIS)

    Ledermüller, Katrin; Schütz, Martin

    2014-01-01

    A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest

  9. Excitation energy distributions in fusion reactions induced by Ar projectiles at 50 and 70 MeV/u

    International Nuclear Information System (INIS)

    Vient, E.; Badala, A.; Barbera, R.; Bizard, G.; Bougault, R.; Brou, R.; Cussol, D.; Colin, J.; Durand, D.; Drouet, A.; Horn, D.; Laville, J.L.; Le Brun, C.; Lecolley, J.F.; Leflecher, C.; Louvel, M.; Patry, J.P.; Peter, J.; Regimbart, R.; Steckmeyer, J.C.; Tamain, B.; Eudes, P.; Guilbault, F.; Lebrun, C.; Oubahadou, A.

    1992-01-01

    In the present experiment, we have studied the Ar+Ag system at two bombarding energies: 50 and 70 MeV/u. We have first focused on the standard decay of the corresponding hot nuclei, i.e. on the formation of evaporated residues, which have been detected in coincidence with most of the decay charged particles (use of a 4 π device). From this very complete knowledge of the events, it has been possible to determine the excitation energy distribution of the initial hot nuclei. In a second step of the analysis, we have extended the triggering conditions to more complicated events including multi-fragment emission. In section 2 of this paper, we describe the experimental set up. Section 3 is devoted to the results involving an evaporation residue. Section 4 is devoted to triggering conditions based on the multiplicity detected in the 4 π device. Section 5 is a summary of the results

  10. Global Analysis of Response in the Piezomagnetoelastic Energy Harvester System under Harmonic and Poisson White Noise Excitations

    International Nuclear Information System (INIS)

    Yue Xiao-Le; Xu Wei; Zhang Ying; Wang Liang

    2015-01-01

    The piezomagnetoelastic energy harvester system subjected to harmonic and Poisson white noise excitations is studied by using the generalized cell mapping method. The transient and stationary probability density functions (PDFs) of response based on the global viewpoint are obtained by the matrix analysis method. Monte Carlo simulation results verify the accuracy of this method. It can be observed that evolutionary direction of transient and stationary PDFs is in accordance with the unstable manifold for this system, and a stochastic P-bifurcation occurs as the intensity of Poisson white noise increases. This study presents an efficient numerical tool to solve the stochastic response of a three-dimensional dynamical system and provides a new idea to analyze the energy harvester system. (paper)

  11. Non-linear vibrating systems excited by a nonideal energy source with a large slope characteristic

    Science.gov (United States)

    González-Carbajal, Javier; Domínguez, Jaime

    2017-11-01

    This paper revisits the problem of an unbalanced motor attached to a fixed frame by means of a nonlinear spring and a linear damper. The excitation provided by the motor is, in general, nonideal, which means it is affected by the vibratory response. Since the system behaviour is highly dependent on the order of magnitude of the motor characteristic slope, the case of large slope is considered herein. Some Perturbation Methods are applied to the system of equations, which allows transforming the original 4D system into a much simpler 2D system. The fixed points of this reduced system and their stability are carefully studied. We find the existence of a Hopf bifurcation which, to the authors' knowledge, has not been addressed before in the literature. These analytical results are supported by numerical simulations. We also compare our approach and results with those published by other authors.

  12. Model dependences of the deactivation of phytoplankton pigment excitation energy on environmental conditions in the sea

    Directory of Open Access Journals (Sweden)

    Mirosława Ostrowska

    2012-11-01

    Full Text Available A semi-empirical, physical models have been derived of the quantum yield ofthe deactivation processes (fluorescence, photosynthesis and heat productionof excited states in phytoplankton pigment molecules. Besides some alreadyknown models (photosynthesis and fluorescence, this novel approachincorporates the dependence of the dissipation yield of the excitation energyin phytoplankton pigment molecules on heat. The quantitative dependences ofthe quantum yields of these three processes on three fundamental parameters ofthe marine environment are defined: the chlorophyll concentration in the surface water layer Ca(0 (the basin trophicity,the irradiance PAR(z and the temperature temp(z at the study site.The model is complemented with two other relevant models describing thequantum yield of photosynthesis and of natural Sun-Induced Chlorophyll a Fluorescence (SICF in the sea, derived earlier by the author or with herparticipation on the basis of statistical analyses of a vast amount ofempirical material. The model described in the present paper enables theestimation of the quantum yields of phytoplankton pigment heat production forany region and season, in waters of any trophicity at different depths fromthe surface to depths of ca 60 m. The model can therefore be used to estimatethe yields of these deactivation processes in more than half the thickness ofthe euphotic zone in oligotrophic waters and in the whole thickness (anddeeper of this zone in mesotrophic and eutrophic waters. In particular theserelationships may be useful for a component analysis of the budget of lightenergy absorbed by phytoplankton pigments, namely, its utilization influorescence, photochemical quenching and nonphotochemical radiationlessdissipation - i.e. direct heat production.

  13. Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces

    DEFF Research Database (Denmark)

    Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

    2009-01-01

    We present a model for desorption induced by (multiple) electronic transitions [DIET (DIMET)] based on potential energy surfaces calculated with the delta self-consistent field extension of density-functional theory. We calculate potential energy surfaces of CO and NO molecules adsorbed on variou...

  14. Parameterization of α-nucleus total reaction cross section at intermediate energies

    International Nuclear Information System (INIS)

    Alvi, M A; Abdulmomen, M A

    2008-01-01

    Applying a Coulomb correction factor to the Glauber model we have derived a closed expression for α-nucleus total reaction cross section, σ R . Under the approximation of rigid projectile model, the elastic S-matrix element S el (b) is evaluated from the phenomenological N-α amplitude and a Gaussian fit to the Helm's model form factor. Excellent agreements with the experimental data have been achieved by performing two-parameter fits to the α-nucleus σ R data in the energy range about 75 to 193 MeV. One of the parameters was found to be energy independent while the other, as expected, shows the energy dependence similar to that of N-α total cross section.

  15. Institutional applications of solar total-energy systems. Draft final report. Volume 2. Appendixes

    Energy Technology Data Exchange (ETDEWEB)

    None

    1978-07-01

    The appendices present the analytical basis for the analysis of solar total energy (STE) systems. A regional-climate model and a building-load requirements model are developed, along with fuel-price scenarios. Life-cycle costs are compared for conventional-utility, total energy, and STE systems. Thermal STE system design trade-offs are performed and thermal STE system performance is determined. The sensitivity of STE competitiveness to fuel prices is examined. The selection of the photovoltaic array is briefly discussed. The institutional-sector decision processes are analyzed. Hypothetical regional back-up rates and electrical-energy costs are calculated. The algorithms and equations used in operating the market model are given, and a general methodology is developed for projecting the size of the market for STE systems and applied to each of 8 institutional subsectors. (LEW)

  16. Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

    Science.gov (United States)

    Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

    2018-03-01

    The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

  17. Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

    International Nuclear Information System (INIS)

    Tavares, O.A.P.; Medeiros, E.L.; Morcelle, V.

    2010-06-01

    Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range 6 Li- 238 U, and 158 projectile nuclei from 2 H up to 84 Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

  18. Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Tavares, O.A.P.; Medeiros, E.L., E-mail: emil@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Morcelle, V. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica

    2010-06-15

    Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range {sup 6}Li-{sup 238}U, and 158 projectile nuclei from {sup 2}H up to {sup 84}Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

  19. Investigation of total cross sections for reactions induced by {sup 6}He interaction with silicon nuclei at energies between 5 and 50 MeV/A

    Energy Technology Data Exchange (ETDEWEB)

    Kabdrakhimova, G. D., E-mail: gaukharkd@gmail.com [L.N.Gumilyov Eurasian National University (Kazakhstan); Sobolev, Yu. G.; Kuhtina, I. N. [Joint Institute for Nuclear Research (Russian Federation); Kuterbekov, K. A. [L.N.Gumilyov Eurasian National University (Kazakhstan); Mendibaev, K. O.; Penionzhkevich, Yu. E. [Joint Institute for Nuclear Research (Russian Federation)

    2017-01-15

    Experimental excitation functions in terms of the total cross sections for {sup 6}He + Si nuclear reactions are analyzed in the energy range between 5 and 50 MeV/A, and a brief survey of the procedures used to obtain experimental data is given. Particular attention is given to describing experiments performed in beams of radioactive nuclei from the accelerators of the Laboratory of Nuclear Reactions at the Joint Institute for Nuclear Research (JINR, Dubna). The experimental data in question are analyzed on the basis of a semimicroscopic optical model.

  20. Nuclear spin and isospin excitations

    International Nuclear Information System (INIS)

    Osterfeld, F.

    1992-01-01

    A review is given of our present knowledge of collective spin-isospin excitations in nuclei. Most of this knowledge comes from intermediate-energy charge-exchange reactions and from inelastic electron- and proton-scattering experiments. The nuclear-spin dynamics is governed by the spin-isospin-dependent two-nucleon interaction in the medium. This interaction gives rise to collective spin modes such as the giant Gamow-Teller resonances. An interesting phenomenon is that the measured total Gamow-Teller transition strength in the resonance region is much less than a model-independent sum rule predicts. Two physically different mechanisms have been discussed to explain this so-called quenching of the total Gamow-Teller strength: coupling to subnuclear degrees of freedom in the form of Δ-isobar excitation and ordinary nuclear configuration mixing. Both detailed nuclear structure calculations and extensive analyses of the scattering data suggest that the nuclear configuration mixing effect is the more important quenching mechanism, although subnuclear degrees of freedom cannot be ruled out. The quenching phenomenon occurs for nuclear-spin excitations at low excitation energies (ω∼10--20 MeV) and small-momentum transfers (q≤0.5 fm -1 ). A completely opposite effect is anticipated in the high (ω,q)-transfer region (0≤ω≤500 MeV, 0.5≤q≤3 fm -1 ). The nuclear spin-isospin response might be enhanced due to the attractive pion field inside the nucleus. Charge-exchange reactions at GeV incident energies have been used to study the quasifree peak region and the Δ-resonance region. An interesting result of these experiments is that the Δ excitation in the nucleus is shifted downwards in energy relative to the Δ excitation of the free proton

  1. Energy harvesting from vibration of Timoshenko nanobeam under base excitation considering flexoelectric and elastic strain gradient effects

    Science.gov (United States)

    Managheb, S. A. M.; Ziaei-Rad, S.; Tikani, R.

    2018-05-01

    The coupling between polarization and strain gradients is called flexoelectricity. This phenomenon exists in all dielectrics with any symmetry. In this paper, energy harvesting from a Timoshenko beam is studied by considering the flexoelectric and strain gradient effects. General governing equations and related boundary conditions are derived using Hamilton's principle. The flexoelectric effects are defined by gradients of normal and shear strains which lead to a more general model. The developed model also covers the classical Timoshenko beam theory by ignoring the flexoelectric effect. Based on the developed model, flexoelectricity effect on dielectric beams and energy harvesting from cantilever beam under harmonic base excitation is investigated. A parametric study was conducted to evaluate the effects of flexoelectric coefficients, strain gradient constants, base acceleration and the attaching tip mass on the energy harvested from a cantilever Timoshenko beam. Results show that the flexoelectricity has a significant effect on the energy harvester performance, especially in submicron and nano scales. In addition, this effect makes the beam to behave softer than before and also it changes the harvester first resonance frequency. The present study provides guidance for flexoelectric nano-beam analysis and a method to evaluate the performance of energy harvester in nano-dielectric devices.

  2. Prediction equation for estimating total daily energy requirements of special operations personnel.

    Science.gov (United States)

    Barringer, N D; Pasiakos, S M; McClung, H L; Crombie, A P; Margolis, L M

    2018-01-01

    Special Operations Forces (SOF) engage in a variety of military tasks with many producing high energy expenditures, leading to undesired energy deficits and loss of body mass. Therefore, the ability to accurately estimate daily energy requirements would be useful for accurate logistical planning. Generate a predictive equation estimating energy requirements of SOF. Retrospective analysis of data collected from SOF personnel engaged in 12 different SOF training scenarios. Energy expenditure and total body water were determined using the doubly-labeled water technique. Physical activity level was determined as daily energy expenditure divided by resting metabolic rate. Physical activity level was broken into quartiles (0 = mission prep, 1 = common warrior tasks, 2 = battle drills, 3 = specialized intense activity) to generate a physical activity factor (PAF). Regression analysis was used to construct two predictive equations (Model A; body mass and PAF, Model B; fat-free mass and PAF) estimating daily energy expenditures. Average measured energy expenditure during SOF training was 4468 (range: 3700 to 6300) Kcal·d- 1 . Regression analysis revealed that physical activity level ( r  = 0.91; P  plan appropriate feeding regimens to meet SOF nutritional requirements across their mission profile.

  3. Dependence of the K x-ray energy on the mode of excitation

    International Nuclear Information System (INIS)

    Wang, K.C.; Boehm, F.; Hahn, A.A.; Vogel, P.

    1977-01-01

    The energy shifts in the Ta K x rays resulting from the K-capture of 181 W, fluorescence of Ta, and β - decay of 181 Hf followed by internal conversion in 181 Ta are reported. Both W metal and WO 3 on one hand, and Ta metal and Ta 2 O 5 on the other hand, were used. Comparison of the K x-ray energies of the K-capture sources 153 Gd (Eu x rays) and 175 Hf (Lu x rays) and the corresponding fluorescence sources was also made. Various effects which may influence the K x-ray energies are discussed. 9 references

  4. Direct determination of the excited state energies of the xanthophylls diadinoxanthin and diatoxanthin from Phaeodactylum tricornutum

    Science.gov (United States)

    Enriquez, Miriam M.; LaFountain, Amy M.; Budarz, James; Fuciman, Marcel; Gibson, George N.; Frank, Harry A.

    2010-06-01

    Steady-state and femtosecond time-resolved transient absorption spectra of diadinoxanthin and diatoxanthin were measured in the visible and near-infrared (NIR) regions at 293 K. The difference in energy between the visible S 0 → S 2 transitions from the steady-state absorption measurements and the S 1 → S 2 transitions observed in the transient absorption spectra in the NIR region yields precise values of the S 1 energies. The data are important for evaluating the mechanism by which excess energy is dissipated by algal systems that interconvert these xanthophylls in response to changes in photon flux levels in the marine environment.

  5. Approximate inclusion of triple excitations in combined coupled cluster/molecular mechanics: Calculations of electronic excitation energies in solution for acrolein, water, formamide, and n-methylacetamide

    DEFF Research Database (Denmark)

    Sneskov, Kristian; Gras, Eduard Matito; Kongsted, Jacob

    2010-01-01

    as being applicable for averaging over many solvent configurations derived from, for example, molecular simulations. We test the proposed model using as a benchmark the two lowest-lying valence singlet excitations (n → π* and π → π*) of acrolein, formamide, and N-methylacetamide in aqueous solution as well...

  6. Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

    Science.gov (United States)

    Samosvat, D. M.; Chikalova-Luzina, O. P.; Vyatkin, V. M.; Zegrya, G. G.

    2016-11-01

    In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones.

  7. Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

    International Nuclear Information System (INIS)

    Samosvat, D M; Chikalova-Luzina, O P; Zegrya, G G; Vyatkin, V M

    2016-01-01

    In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones. (paper)

  8. A comparative study on total reflection X-ray fluorescence determination of low atomic number elements in air, helium and vacuum atmospheres using different excitation sources

    Science.gov (United States)

    Misra, N. L.; Kanrar, Buddhadev; Aggarwal, S. K.; Wobrauschek, Peter; Rauwolf, M.; Streli, Christina

    2014-09-01

    A comparison of trace element determinations of low atomic number (Z) elements Na, Mg, Al, P, K and Ca in air, helium and vacuum atmospheres using W Lβ1, Mo Kα and Cr Kα excitations has been made. For Mo Kα and W Lβ1 excitations a Si (Li) detector with beryllium window was used and measurements were performed in air and helium atmospheres. For Cr Kα excitation, a Si (Li) detector with an ultra thin polymer window (UTW) was used and measurements were made in vacuum and air atmospheres. The sensitivities of the elemental X-ray lines were determined using TXRF spectra of standard solutions and processing them by IAEA QXAS program. The elemental concentrations of the elements in other solutions were determined using their TXRF spectra and pre-determined sensitivity values. The study suggests that, using the above experimental set up, Mo Kα excitation is not suited for trace determination of low atomic number element. Excitation by WLβ1 and helium atmosphere, the spectrometer can be used for the determination of elements with Z = 15 (P) and above with fairly good detection limits whereas Cr Kα excitation with ultra thin polymer window and vacuum atmosphere is good for the elements having Z = 11 (Na) and above. The detection limits using this set up vary from 7048 pg for Na to 83 pg for Ti.

  9. Impulse-Excited Energy Harvester based on Potassium-Ion- Electret

    Science.gov (United States)

    Ashizawa, H.; Mitsuya, H.; Ishibashi, K.; Ishikawa, T.; Fujita, H.; Hashiguchi, G.; Toshiyoshi, H.

    2015-12-01

    We have developed an energy harvester that is specifically desired for impulse acceleration of infrastructure vibrations such as sudden motion at railway bridges. The energy harvester based on potassium-ion-electret on the sidewalls of 1.8- μm-gap comb electrodes generated a 64 μAp-p current during low impulse acceleration, which was large enough to light a green LED.

  10. Total Factor Productivity and Energy Intensity in Indian Manufacturing: A Cross-Sectional Study

    Directory of Open Access Journals (Sweden)

    Santosh Kumar Sahu

    2011-01-01

    Full Text Available The objective of the paper is to estimate the transcendental logarithmic production function and further study the determinants of total factor productivity (TFP of Indian manufacturing industries. The estimation of TFP is based on four inputs model, where apart from labour and capital, material and energy are the other two inputs. The findings of the paper suggest that labour and material inputs play major role as compared to the capital and energy input. Age of the firm, ownership, energy intensity, embodied and disembodied technology imports, research and development and exports were considered as the possible determinants of the TFP in the second stage regression. The finding of the estimates suggest that age of the firm, export intensity and disembodied technology import are positively related to the TFP, where ownership, energy intensity, embodied technology import and R&D intensity are negatively related to the TFP of the firms for Indian manufacturing.

  11. Forward elastic scattering and total cross-section at very high energies

    International Nuclear Information System (INIS)

    Castaldi, R.

    1985-01-01

    The successful cooling technique of antiproton beams at CERN has recently allowed the acceleration of proton and antiproton bunches simultaneously circulating in opposite directions in the SPS. Hadron-hadron collisions could so be produced at a centre-of-mass energy one order of magnitude higher than previously available, thus opening a new wide range of energies to experimentation. This technique also made it possible to replace one of the two proton beams in the ISR by a beam of antiprotons, allowing a direct precise comparison, by the same detectors, of pp and anti pp processes at the same energies. The recent results are summarized of the forward elastic scattering and total cross-section in this new energy domain. (Mori, K.)

  12. Total integrated energy system (TIES) feasibility analysis for the downtown redevelopment project, Pasadena, California

    Energy Technology Data Exchange (ETDEWEB)

    None

    1977-04-01

    The purpose of this study is to determine the most desirable method of serving the energy needs of a commercial development to be constructed in Pasadena, California. The factors that determine maximum desirability consist of the following: (1) maximum economic benefit to the energy user and to the surrounding community; (2) minimum usage of energy by both the energy user and the surrounding community; and (3) minimum introduction of pollutants into the community. The methods studied were the Total Integrated Energy System (TIES) concept in several configurations. The TIES concept differs from the ''total energy concept'' in the respect that the electric power output of the local power generation plant goes into the utility company distribution grid, rather than to the user. The user is served power from the grid, as with a conventional system, but also receives heating and cooling media produced from power generation by-product heat from the TIES plant. The effect of this concept is that a very large source-sink for electric energy is provided by the utility company grid. This, in turn, permits the plant to operate in response to instantaneous thermal demand, rather than instantaneous power demand. No auxiliary firing is ever required. No waste of unneeded by-product energy to atmosphere ever occurs. Balance is achieved by either delivering excess power into the grid or by withdrawing power production deficiency from the grid. Near-optimum efficiency is achieved during all operating conditions. There is no need whatsoever for the power-generating plant to be sized to meet the power demand, since it seldom, if ever, tracks the power demand. Sizing of the electric generation is solely a function of economics and the demand for waste heat.

  13. Three-fold increase of M1 strength in 40Ar at 10 MeV excitation energy

    Science.gov (United States)

    Tornow, Werner; Finch, Sean; Krishichayan, Fnu; Tonchev, Anton

    2017-09-01

    We reexamined the excitation energy region of 40Ar around 9.8 MeV with the goal of determining the known M1 strength located at 9.76 MeV more accurately. The physics motivation was based on the fact that i) the neutrino-nucleus interaction cross section is proportional to the M1 strength of a nucleus, ii) DUNE, the Deep Underground Neutrino Experiment at SURF will be using liquid argon as detector medium, iii) the energy spectrum of supernova neutrinos is peaked at approximately 10 MeV. Mono-energetic and linearly polarized photons of 9.88 MeV were produced via Compton backscattering of 548 nm FEL photons from 543 MeV electrons at the High-Intensity γ-ray Source (HI γS) facility at TUNL. The 1.25 cm diameter photon beam with energy spread of 300 keV (FWHM) interacted with argon gas contained in a high-pressure cell. The cell was viewed with HPGe detectors placed at 90o relative to the incident photon beam in the horizontal and vertical planes to distinguish between E1 and M1 de-excitation γ-rays. Our re-measurement provided an increase in M1 strength by a factor of approximately 3, mostly due to the discovery that the known level in 40Ar at 9.84 MeV is of M1 character and not of E1 character, as previously thought. In addition to the already known M1 state at 9.76 MeV, we observed weaker M1 states at 9.70, 9.81, 9.87, and 9.89 MeV.

  14. Low-energy vibrational excitations in carbon nanotubes studied by heat capacity

    Science.gov (United States)

    Lasjaunias, J. C.; Biljakovic, K.; Monceau, P.; Sauvajol, J. L.

    2003-09-01

    We present low-temperature heat capacity measurements performed on two different kinds of single-walled carbon nanotube bundles which essentially differ in their mean number of tubes (NT) per bundle. For temperatures below a few kelvin, the vibrational heat capacity can be analysed as the sum of two contributions. The first one is a regular T3 phononic one, characteristic of the three-dimensional (3D) elastic character of the bundle for long-wavelength phonons. A crossover to a lower effective dimensionality appears at a few kelvin. From the 3D contribution, we estimate a mean sound velocity, and hence a mean shear modulus of the bundle. The difference in amplitude of the acoustic term and in the crossover temperature between the two samples is ascribed to the different bundle topology (i.e. NT). The second contribution, of similar amplitude in both kinds of samples, shows a peculiar power law Talpha variation (alpha < 1) indicative of localized excitations, very probably due to intrinsic structural defects of the nanotubes.

  15. Excitation function of (p,α) nuclear reaction on enriched {sup 67}Zn. Possibility of production of {sup 64}Cu at low energy cyclotron

    Energy Technology Data Exchange (ETDEWEB)

    Szelecsenyi, Ferenc; Kovacs, Zoltan [Hungarian Academy of Sciences, Debrecen (Hungary). Cyclotron Application Dept.; Nagatsu, Kotaro; Zhang, Ming-Rong; Suzuki, Kazutosi [National Institute of Radiological Sciences, Chiba (Japan). Molecular Imaging Center

    2014-09-01

    The potential for production of the medically relevant {sup 64}Cu has been investigated by proton irradiation of highly enriched {sup 67}Zn targets. The excitation function of the {sup 67}Zn(p,α){sup 64}Cu a nuclear reaction was measured by the stacked-foil technique up to 30 MeV. The prediction of the TALYS code was also compared to the measured cross section results. Based on the improved database of the {sup 67}Zn(p,α){sup 64}Cu reaction, thick target yield as a function of energy was also deduced. Production possibility of {sup 64}Cu is discussed in detail, employing different energy proton beams and with regards to the {sup 61}Cu and {sup 67}Cu contamination levels as a function of the target enrichment level. By using 1 μA beam intensity, 6.3505 h irradiation time and enriched {sup 67}Zn target ({sup 64}Zn ≤ 0.5%, {sup 66}Zn ≤ 9%, {sup 67}Zn ≥ 80%, {sup 68}Zn ≤ 10% and {sup 70}Zn ≤ 0.5%), the expected EOB (End Of bombardment) yields are 43.66, 88.80 and 156.14MBq/μA at 12, 15 and 18 MeV proton energies, respectively. Application time-frames were also deduced where the total radio-copper contamination level remains below 1%. (orig.)

  16. A piezoelectric energy harvester for broadband rotational excitation using buckled beam

    Directory of Open Access Journals (Sweden)

    Zhengqiu Xie

    2018-01-01

    Full Text Available This paper proposes a rotational energy harvester using a piezoelectric bistable buckled beam to harvest low-speed rotational energy. The proposed harvester consists of a piezoelectric buckled beam with a center magnet, and a rotary magnet pair with opposite magnetic poles mounted on a revolving host. The magnetic plucking is used to harvest the angular kinetic energy of the host. The nonlinear snap-through mechanism is utilized to improve the vibration displacement and output voltage of the piezoelectric layer over a wide rotation frequency range. Theoretical simulation and experimental results show that the proposed energy harvester can yield a stable average output power ranging between 6.91-48.01 μW over a rotation frequency range of 1-14 Hz across a resistance load of 110 kΩ. Furthermore, dual attraction magnets were employed to overcome the suppression phenomenon at higher frequencies, which yields a broadband and flat frequency response over 6-14 Hz with the output power reaching 42.19-65.44 μW, demonstrating the great potential of the bistable buckled beam for wideband rotation motion energy harvesting.

  17. A piezoelectric energy harvester for broadband rotational excitation using buckled beam

    Science.gov (United States)

    Xie, Zhengqiu; Kitio Kwuimy, C. A.; Wang, Zhiguo; Huang, Wenbin

    2018-01-01

    This paper proposes a rotational energy harvester using a piezoelectric bistable buckled beam to harvest low-speed rotational energy. The proposed harvester consists of a piezoelectric buckled beam with a center magnet, and a rotary magnet pair with opposite magnetic poles mounted on a revolving host. The magnetic plucking is used to harvest the angular kinetic energy of the host. The nonlinear snap-through mechanism is utilized to improve the vibration displacement and output voltage of the piezoelectric layer over a wide rotation frequency range. Theoretical simulation and experimental results show that the proposed energy harvester can yield a stable average output power ranging between 6.91-48.01 μW over a rotation frequency range of 1-14 Hz across a resistance load of 110 kΩ. Furthermore, dual attraction magnets were employed to overcome the suppression phenomenon at higher frequencies, which yields a broadband and flat frequency response over 6-14 Hz with the output power reaching 42.19-65.44 μW, demonstrating the great potential of the bistable buckled beam for wideband rotation motion energy harvesting.

  18. Dependence of the quasipotential on the total energy of a two-particle system

    International Nuclear Information System (INIS)

    Kapshai, V.N.; Savrin, V.I.; Skachkov, N.B.

    1987-01-01

    For a system of two relativistic particles described in the Logunov-Tavkhelidze one-time approach the dependence of the quasipotential of one-boson exchange on the total energy of the system is calculated. It is shown that despite the nonlocal form of the obtained quasipotential the three-dimensional equations for the waves function can be reduced by a partial expansion to one-dimensional equations. The influence of the energy dependence of the quasipotential on its behavior in the coordinate representation is discussed

  19. On the dependence of quasipotential on the total energy of a two-particle system

    International Nuclear Information System (INIS)

    Kapshaj, V.N.; Savrin, V.I.

    1986-01-01

    For a system of two relativistic particles described in the framework of the Logunov-Tavkhelidze one-time approach the dependence is calculated of the one-boson exchange potential on the total energy of the system. It is shown that in spite of a nonlocal form of the quasipotential obtained, three-dimensional equations for the wave function are reduced to one-dimensional ones by means of partial expansion. Influence of the energy dependence of the quasipotential on its behaviour in the coordinate representation is discussed

  20. Utilisation of total solar radiation energy in the photosynthetic production of radish, red beet and bean

    Directory of Open Access Journals (Sweden)

    Wiesław Nowakowski

    2014-01-01

    Full Text Available Utilisation of total solar radiation energy in the photosynthetic production of radish, red beet and bean is expressed as per cent of solar radiation accumulated in the carbon of -the dry mass per 1 cm2 of the assimilation surface area. Utilisation of this energy ranges from 2.6 to 8.4 per cent in radish, from 1.7 to 7.5 per cent in beet and from 1.9 to 4.9 per cent in bean.

  1. Mid-South solar total energy: institutional analysis. Final report, May 1, 1978-December 31, 1979

    Energy Technology Data Exchange (ETDEWEB)

    Powe, R.E.; Carley, C.T.; Forbes, R.E.; Johnson, L.R.; Stiffler, A.K.; Hodge, B.K.; Bouchillon, C.W.

    1979-01-01

    A comprehensive survey was undertaken to determine the current usage of energy by the Mississippi State University, considering electricity and fuel separately. A variety of individual components likely to be employed in total energy systems are then considered in detail, including: solar assisted space heating system, space cooling system design, solar electric system, flat plate solar collector system, central solar receiver, and geothermal heat pump system. Also, algorithms have been developed for the approximate prediction of building heating and cooling loads based on gross parameters such as floor area, type of wall construction, etc. System considerations and evaluation are then presented. (LEW)

  2. Time-resolved UV-excited microarray reader for fluorescence energy transfer (FRET) measurements

    Science.gov (United States)

    Orellana, Adelina; Hokkanen, Ari P.; Pastinen, Tomi; Takkinen, Kristina; Soderlund, Hans

    2001-05-01

    Analytical systems based on immunochemistry are largely used in medical diagnostics and in biotechnology. There is a significant pressure to develop the present assay formats to become easier to use, faster, and less reagent consuming. Further developments towards high density array--like multianalyte measurement systems would be valuable. To this aim we have studied the applicability of fluorescence resonance energy transfer and time-resolved fluorescence resonance energy transfer in immunoassays on microspots and in microwells. We have used engineered recombinant antibodies detecting the pentameric protein CRP as a model analyte system, and tested different assay formats. We describe also the construction of a time-resolved scanning epifluorometer with which we could measure the FRET interaction between the slow fluorescence decay from europium chelates and its energy transfer to the rapidly decaying fluorophore Cy5.

  3. Differential cross sections for intermediate-energy electron scattering from α-tetrahydrofurfuryl alcohol: Excitation of electronic-states

    Energy Technology Data Exchange (ETDEWEB)

    Chiari, L.; Jones, D. B.; Thorn, P. A.; Pettifer, Z. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Duflot, D. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR CNRS 8523, Université Lille, F-59655 Villeneuve d’Ascq Cedex (France); Hubin-Franskin, M.-J.; Delwiche, J. [Départment de Chimie, Université de Liège, Institut de Chimie-Bât. B6C, B-4000 Liège 1 (Belgium); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Madrid E-28006 (Spain); and others

    2014-07-14

    We report on measurements of differential cross sections (DCSs) for electron impact excitation of a series of Rydberg electronic-states in α-tetrahydrofurfuryl alcohol (THFA). The energy range of these experiments was 20–50 eV, while the scattered electron was detected in the 10°–90° angular range. There are currently no other experimental data or theoretical computations against which we can directly compare the present measured results. Nonetheless, we are able to compare our THFA DCSs with earlier cross section measurements for Rydberg-state electronic excitation for tetrahydrofuran, a similar cyclic ether, from Do et al. [J. Chem. Phys. 134, 144302 (2011)]. In addition, “rotationally averaged” elastic DCSs, calculated using our independent atom model with screened additivity rule correction approach are also reported. Those latter results give integral cross sections consistent with the optical theorem, and supercede those from the only previous study of Milosavljević et al. [Eur. Phys. J. D 40, 107 (2006)].

  4. Analysis of complete fusion excitation functions for 7Li+152Sm, 197Au and 209Bi reactions at around barrier energies

    International Nuclear Information System (INIS)

    Kharab, Rajesh; Chahal, Rajiv; Kumar, Rajiv

    2017-01-01

    In the present work we have analyzed the fusion excitation function for CF process using the simple Wong’s formula in conjunction with the energy dependent Woods-Saxon potential (EDWSP) in near barrier energy region for 7 Li+ 152 Sm, 197 Au and 209 Bi reactions

  5. Dipole-Dipole Electron Excitation Energy Transfer in the System CdSe/ZnS Quantum Dot - Eosin in Butyral Resin Matrix

    Science.gov (United States)

    Myslitskaya, N. A.; Samusev, I. G.; Bryukhanov, V. V.

    2014-11-01

    The electron excitation energy transfer from CdSe/ZnS quantum dots to eosin molecules in the polymer matrix of butyral resin is investigated. The main characteristics of energy transfer are determined. By means of luminescence microscopy and correlation spectroscopy methods we found that quantum dots in the polymer are in an aggregate state.

  6. High Excitation Transfer Efficiency from Energy Relay Dyes in Dye-Sensitized Solar Cells

    KAUST Repository

    Hardin, Brian E.; Yum, Jun-Ho; Hoke, Eric T.; Jun, Young Chul; Péchy, Peter; Torres, Tomás; Brongersma, Mark L.; Nazeeruddin, Md. Khaja; Grätzel, Michael; McGehee, Michael D.

    2010-01-01

    The energy relay dye, 4-(Dicyanomethylene)-2-methyl-6-(4- dimethylaminostyryl)-4H-pyran (DCM), was used with a near-infrared sensitizing dye, TT1, to increase the overall power conversion efficiency of a dye-sensitized solar cell (DSC) from 3

  7. Calculations of the excitation energies of all-trans and 11,12s-dicis retinals using localized molecular orbitals obtained by the elongation method

    Science.gov (United States)

    Kurihara, Youji; Aoki, Yuriko; Imamura, Akira

    1997-09-01

    In the present article, the excitation energies of the all-trans and the 11,12s-dicis retinals were calculated by using the elongation method. The geometries of these molecules were optimized with the 4-31G basis set by using the GAUSSIAN 92 program. The wave functions for the calculation of the excitation energies were obtained with CNDO/S approximation by the elongation method, which enables us to analyze electronic structures of aperiodic polymers in terms of the exciton-type local excitation and the charge transfer-type excitation. The excitation energies were calculated by using the single excitation configuration interaction (SECI) on the basis of localized molecular orbitals (LMOs). The LMOs were obtained in the process of the elongation method. The configuration interaction (CI) matrices were diagonalized by Davidson's method. The calculated results were in good agreement with the experimental data for absorption spectra. In order to consider the isomerization path from 11,12s-dicis to all-trans retinals, the barriers to the rotations about C11-C12 double and C12-C13 single bonds were evaluated.

  8. Nuclear de-excitation processes following medium energy heavy ion collisions

    International Nuclear Information System (INIS)

    Blann, M.

    1986-09-01

    As heavy ion reaction studies have progressed from beam energies below 10 MeV/nucleon to higher energies, many non-equilibrium reaction phenomena have been observed. Among these are nucleon emission with velocities in excess of the beam velocity, incomplete momentum transfer to evaporation residue and fission-like fragments, γ-rays with energies in excess of 100 MeV, and π 0 production when beam energies are below the threshold for production by the nucleon-nucleon collision mechanism. Additionally, prefission neutrons have been observed in excess of numbers expected from equilibrium models. A few of the approaches which have been applied to these phenomena are as follows: Intranuclear cascade: two body collisions are assumed to mediate the equilibration. The geometry and momentum space is followed semiclassically. The approach has many successes though it may suffer in a few applications is not following holes; TDHF considers one body processes only; in the energy regime of interest, two body processes are important so that this may not be a viable approach; Boltzmann-Uehling-Uhlenbeck or Vlasov-Uehling-Uhlenbeck (BUU/VUU) equations combine both one body and two body dynamics. The spatial and momentum evolution of the reactions are followed in a mean field. These should be the Cadillacs of the models. They are computationally tedious, and sometimes significant approximations are made in order to achieve computational tract ability; models of collective deceleration. A very simple model approach is discussed to interpret these phenomena, the Boltzmann master equation (BME). The hybrid model was the first to be applied to the question of heavy ion precompound decay, and the BME second. 26 refs., 5 figs., 2 tabs

  9. Total scattering investigation of materials for clean energy applications: the importance of the local structure.

    Science.gov (United States)

    Malavasi, Lorenzo

    2011-04-21

    In this Perspective article we give an account of the application of total scattering methods and pair distribution function (PDF) analysis to the investigation of materials for clean energy applications such as materials for solid oxide fuel cells and lithium batteries, in order to show the power of this technique in providing new insights into the structure-property correlation in this class of materials.

  10. Total β-decay energies of neutron-rich zinc isotopes, A=75-80

    International Nuclear Information System (INIS)

    Lund, E.; Aleklett, K.; Fogelberg, B.; Sangariyavanish, A.

    1984-01-01

    The present investigation involves improved measurements of the Qsub(β)-values of 75-78 Zn and determinations of the total decay energies of sup(79,80)Zn which are not reported in the literature before. Also 81 Zn was detected but at the time for the experiment the ion-source was not efficient enough to yield sufficient activity for an accurate Qsub(β)-determination. (orig./HSI)

  11. Total binding energy of heavy positive ions including density treatment of Darwin and Breit corrections

    International Nuclear Information System (INIS)

    Hill, S.H.; Grout, P.J.; March, N.H.

    1987-01-01

    Previous work on the relativistic Thomas-Fermi treatment of total energies of neutral atoms is first generalised to heavy positive ions. To facilitate quantitative contact with the numerical predictions of Dirac-Fock theory, Darwin and Breit corrections are expressed in terms of electron density, and computed using input again from relativistic Thomas-Fermi theory. These corrections significantly improve the agreement between the two seemingly very different theories. (author)

  12. Reaction and total cross sections for low energy π+ and π- on isospin zero nuclei

    International Nuclear Information System (INIS)

    Saunders, A.; Ho/ibraten, S.; Kraushaar, J.J.; Kriss, B.J.; Peterson, R.J.; Ristinen, R.A.; Brack, J.T.; Hofman, G.; Gibson, E.F.; Morris, C.L.

    1996-01-01

    Reaction and total cross sections for π + and π - on targets of 2 H, 6 Li, C, Al, Si, S, and Ca have been measured for beam energies from 42 to 65 MeV. The cross sections are proportional to the target mass at 50 MeV, consistent with transparency to these projectiles. The cross sections are compared to theoretical calculations. copyright 1996 The American Physical Society

  13. Misreporting of energy intake in the elderly using doubly labeled water to measure total energy expenditure and weight change.

    Science.gov (United States)

    Shahar, Danit R; Yu, Binbing; Houston, Denise K; Kritchevsky, Stephen B; Newman, Anne B; Sellmeyer, Deborah E; Tylavsky, Frances A; Lee, Jung Sun; Harris, Tamara B

    2010-02-01

    One of the major problems in dietary assessment is inaccuracy in reporting diet. To examine the association between self-reported energy intake (EI) by food frequency questionnaire (FFQ) and energy expenditure (EE), measured by doubly labeled water (DLW), among older persons. EE was assessed in 298 high-functioning, community-dwelling older adults (70-79 years of age) over a 2-week period using DLW. Dietary intake was assessed using a Block FFQ. The ratio between reported EI and total energy expenditure (TEE) was calculated. Misreporting was defined as follows: participants with an EI/TEE ratio of reporters, while participants with an EI/TEE ratio >1.28 were categorized as high energy reporters. Participants with an EI/TEE ratio of 0.77-1.28 were categorized as "true" energy reporters. One-year percent weight change prior to EE visit was used as another validation indicator. Participants who were low energy reporters but lost >2% of their body weight were categorized as undereaters. Two hundred ninety-six participants provided both FFQ and DLW measurements. Forty-three percent of participants were low energy reporters; among them, almost 30% lost weight and, therefore, were categorized as undereaters. The undereaters consumed significantly fewer calories. No difference in the frequency of low energy reporting was detected between genders or racial groups. Underreporters had significantly higher body weight than "true" or high reporters. Undereaters tended to have higher body mass index than the underreporters. Undereating is prevalent in the elderly and may be falsely perceived as underreporting. It should be further addressed and characterized in future studies.

  14. Sorting through the many total-energy-cycle pathways possible with early plug-in hybrids

    International Nuclear Information System (INIS)

    Gaines, L.; Burnham, A.; Rousseau, A.; Santini, D.

    2008-01-01

    Using the 'total energy cycle' methodology, we compare U.S. near term (to ∼2015) alternative pathways for converting energy to light-duty vehicle kilometers of travel (VKT) in plug-in hybrids (PHEVs), hybrids (HEVs), and conventional vehicles (CVs). For PHEVs, we present total energy-per-unit-of-VKT information two ways (1) energy from the grid during charge depletion (CD); (2) energy from stored on-board fossil fuel when charge sustaining (CS). We examine 'incremental sources of supply of liquid fuel such as (a) oil sands from Canada, (b) Fischer-Tropsch diesel via natural gas imported by LNG tanker, and (c) ethanol from cellulosic biomass. We compare such fuel pathways to various possible power converters producing electricity, including (i) new coal boilers, (ii) new integrated, gasified coal combined cycle (IGCC), (iii) existing natural gas fueled combined cycle (NGCC), (iv) existing natural gas combustion turbines, (v) wood-to-electricity, and (vi) wind/solar. We simulate a fuel cell HEV and also consider the possibility of a plug-in hybrid fuel cell vehicle (FCV). For the simulated FCV our results address the merits of converting some fuels to hydrogen to power the fuel cell vs. conversion of those same fuels to electricity to charge the PHEV battery. The investigation is confined to a U.S. compact sized car (i.e. a world passenger car). Where most other studies have focused on emissions (greenhouse gases and conventional air pollutants), this study focuses on identification of the pathway providing the most vehicle kilometers from each of five feedstocks examined. The GREET 1.7 fuel cycle model and the new GREET 2.7 vehicle cycle model were used as the foundation for this study. Total energy, energy by fuel type, total greenhouse gases (GHGs), volatile organic compounds (VOC), carbon monoxide (CO), nitrogen oxides (NO x ), fine particulate (PM2.5) and sulfur oxides (SO x ) values are presented. We also isolate the PHEV emissions contribution from varying k

  15. Effect of excitation energy and angular momentum on the characteristics of 208Po and 210Po compound nucleus fission fragments

    International Nuclear Information System (INIS)

    Itkis, M.G.; Kalpakchieva, R.; Okolovich, V.N.; Penionzhkevich, Yu.Eh.; Tolstikov, V.N.

    1982-01-01

    To study characteristics of fissioning nucleus fragments, investigated were reactiiiiiiiiiiiiiiiH8Pt+ 12 C → 210 Po in the 12 C ion energy range of 86-110.5 MeV, of 192 Os+ 16 O → 208 Po in 90-131 MeV range, 204 Pb+ 3 He → 207 Po, 206 Pb+ 3 He → 209 Po, 207 Pb+ 3 He → 210 Po with 60 MeV 3 He ion energy. Using a correlation technique for measuring energies of two fragments mass and energy distributions of fission fragments of 208 Po and 210 Po compound nuclei produced in the reactions have been studied. Mass and energy distributions of fragments from fission of 208 Po and 210 Po in the reactions with ions 16 O, 12 C and 3 He were investigated in an ample energy range, using the correlational techniques for measurement of energies of two fragments. An increase in the total kinetic energy with rise of the angular momentum was observed, the fact indicating a weak coupling of one-particle and collective modes of motion in the fissile nucleus resulting in that the rolational energy is transfered mainly to translation energies of the fragments

  16. Fission excitation function for 19F + 194,196,198Pt at near and above barrier energies

    Directory of Open Access Journals (Sweden)

    Singh Varinderjit

    2015-01-01

    Full Text Available Fission excitation functions for 19F + 194,196,198Pt reactions populating 213,215,217Fr compound nuclei are reported. Out of these three compound nuclei, 213Fr is a shell closed (N=126 compound nucleus and the other two are away from the shell closure. From a comparison of the experimental fission cross-sections with the statistical model predictions, it is observed that the fission cross-sections are underestimated by the statistical model predictions using shell corrected finite range rotating liquid drop model (FRLDM fission barriers. Further the FRLDM fission barriers are reduced to fit the fission cross-sections over the entire measured energy range.

  17. Field-orientation dependence of low-energy quasiparticle excitations in the heavy-electron superconductor UBe(13).

    Science.gov (United States)

    Shimizu, Yusei; Kittaka, Shunichiro; Sakakibara, Toshiro; Haga, Yoshinori; Yamamoto, Etsuji; Amitsuka, Hiroshi; Tsutsumi, Yasumasa; Machida, Kazushige

    2015-04-10

    Low-energy quasiparticle excitations in the superconducting (SC) state of UBe_{13} were studied by means of specific-heat (C) measurements in a rotating field. Quite unexpectedly, the magnetic-field dependence of C(H) is linear in H with no angular dependence at low fields in the SC state, implying that the gap is fully open over the Fermi surfaces, in stark contrast to previous expectations. In addition, a characteristic cubic anisotropy of C(H) was observed above 2 T with a maximum (minimum) for H∥[001] ([111]) within the (11[over ¯]0) plane, in the normal as well as in the SC states. This oscillation possibly originates from the anisotropic response of the heavy quasiparticle bands, and might be a key to understand the unusual properties of UBe_{13}.

  18. Excitation energy transfer in molecular complexes: transport processes, optical properties and effects of nearby placed metal nano-particles

    Science.gov (United States)

    May, Volkhard; Megow, Jörg; Zelinskyi, Iaroslav

    2012-04-01

    Excitation energy transfer (EET) in molecular systems is studied theoretically. Chromophore complexes are considered which are formed by a butanediamine dendrimer with four pheophorbide-a molecules. To achieve a description with an atomic resolution and to account for the effect of an ethanol solvent a mixed quantum classical methodology is utilized. Details of the EET and spectra of transient anisotropy showing signatures of EET are presented. A particular control of intermolecular EET is achieved by surface plasmons of nearby placed metal nanoparticles (MNP). To attain a quantum description of the molecule-MNP system a microscopic theory is introduced. As a particular application surface plasmon affected absorption spectra of molecular complexes placed in the proximity of a spherical MNP are discussed.

  19. Total energy supply for remote human habitations (Or 'Nuclear North of 60')

    International Nuclear Information System (INIS)

    Harris, J.

    2012-01-01

    This presentation will examine the direct application of nuclear energy solutions in the north, and remote areas of Canada. Further it will challenge the existing energy network based on the shipment of fossil fuels to remote areas, and examine the use of small, modular, and/or deployable nuclear plants in these communities. The use of these small reactors and some newly emerging technologies will likely provide a near total energy supply for these communities. In particular low grade heat processes, district heating, the 'local' production of motive fuels, and local food production will be examined. Additionally the economic and social impact of moving the value added side of many of these processes to the local communities will also be briefly discussed.

  20. Total and elastic electron scattering cross sections from Xe at intermediate and high energies

    International Nuclear Information System (INIS)

    Garcia, G; Pablos, J L de; Blanco, F; Williart, A

    2002-01-01

    Experimental total electron scattering cross sections from Xe in the energy range 300-5000 eV have been obtained with experimental errors of about 3%. The method was based on the measurement of the attenuation of a linear electron beam through a Xe gas cell in combination with an electron spectroscopy technique to analyse the energy of the transmitted electrons. Differential and integral elastic cross sections have been calculated using a scattering potential method which includes relativistic effects. The consistency of our theoretical and experimental results is also discussed in the paper. Finally, analytical formulae depending on two parameters, namely the number of target electrons and the atomic polarizability, are given to reproduce the experimental data for Ne, Ar, Kr and Xe in the energy range 500-10 000 eV