WorldWideScience

Sample records for energy loss calculations

  1. Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN

    CERN Document Server

    Jones, R; Gutiérrez-Sosa, A; Bangert, U; Heggie, M I; Blumenau, A T; Frauenheim, T; Briddon, P R

    2002-01-01

    First-principles calculations of electron energy loss (EEL) spectra for bulk GaN and diamond are compared with experimental spectra acquired with a scanning tunnelling electron microscope offering ultra-high-energy resolution in low-loss energy spectroscopy. The theoretical bulk low-loss EEL spectra, in the E sub g to 10 eV range, are in good agreement with experimental data. Spatially resolved spectra from dislocated regions in both materials are distinct from bulk spectra. The main effects are, however, confined to energy losses lying above the band edge. The calculated spectra for low-energy dislocations in diamond are consistent with the experimental observations, but difficulties remain in understanding the spectra of threading dislocations in GaN.

  2. Model calculation for energy loss in ion-surface collisions

    International Nuclear Information System (INIS)

    Miraglia, J.E.; Gravielle, M.S.

    2003-01-01

    The so-called local plasma approximation is generalized to deal with projectiles colliding with surfaces of amorphous solids and with a specific crystalline structure (plannar channeling). Energy loss of protons grazingly colliding with aluminum, SnTe alloy, and LiF surfaces is investigated. The calculations agree quite well with previous theoretical results and explain the experimental findings of energy loss for aluminum and SnTe alloy, but they fall short to explain the data for LiF surfaces

  3. High resolution electron energy loss spectroscopy of clean and hydrogen covered Si(001) surfaces: first principles calculations.

    Science.gov (United States)

    Patterson, C H

    2012-09-07

    Surface phonons, conductivities, and loss functions are calculated for reconstructed (2×1), p(2×2) and c(4×2) clean Si(001) surfaces, and (2×1) H and D covered Si(001) surfaces. Surface conductivities perpendicular to the surface are significantly smaller than conductivities parallel to the surface. The surface loss function is compared to high resolution electron energy loss measurements. There is good agreement between calculated loss functions and experiment for H and D covered surfaces. However, agreement between experimental data from different groups and between theory and experiment is poor for clean Si(001) surfaces. Formalisms for calculating electron energy loss spectra are reviewed and the mechanism of electron energy losses to surface vibrations is discussed.

  4. REFINED ALGORITHMS OF ELECTRICAL ENERGY LOSSES CALCULATION IN 0,38 KV NETWORKS IN REAL TIME

    Directory of Open Access Journals (Sweden)

    Miroshnyk A.

    2010-08-01

    Full Text Available An approach for closer definition of electrical energy losses size in air lines due to the accounting of environment temperature influence and flowing current size on the wire resistance is offered. Multifunctional microprocessor devices for energy losses calculation are elaborated.

  5. EELOSS: the program for calculation of electron energy loss data

    International Nuclear Information System (INIS)

    Tanaka, Shun-ichi

    1980-10-01

    A computer code EELOSS has been developed to obtain the electron energy loss data required for shielding and dosimetry of beta- and gamma-rays in nuclear plants. With this code, the following data are obtainable for any energy from 0.01 to 15 MeV in any medium (metal, insulator, gas, compound, or mixture) composed of any choice of 69 elements with atomic number 1 -- 94: a) Collision stopping power, b) Restricted collision stopping power, c) Radiative stopping power, and d) Bremsstrahlung production cross section. The availability of bremsstrahlung production cross section data obtained by the EELOSS code is demonstrated by the comparison of calculated gamma-ray spectrum with measured one in Pb layer, where electron-photon cascade is included implicitly. As a result, it is concluded that the uncertainty in the bremsstrahlung production cross sections is negligible in the practical shielding calculations of gamma rays of energy less than 15 MeV, since the bremsstrahlung production cross sections increase with the gamma-ray energy and the uncertainty for them decreases with increasing the gamma-ray energy. Furthermore, the accuracy of output data of the EELOSS code is evaluated in comparison with experimental data, and satisfactory agreements are observed concerning the stopping power. (J.P.N.)

  6. ANALYTICAL CALCULATION OF THE BASIC ELECTROMAGNETIC LOSSES OF THE ENERGY OF THE FREQUENCY-REGULATED ASYNCHRONOUS ENGINE IN POSITIONING

    Directory of Open Access Journals (Sweden)

    V. O. Volkov

    2018-02-01

    Full Text Available Purpose. Obtaining analytical dependencies for the calculation of the main electromagnetic energy losses of a frequency-controlled induction motor in positioning modes with small displacements for various types (linear, parabolic and quasi-optimal of its velocity variation. Methodology. Similarity methods, differential and integral calculus, analytical interpolation, mathematical analysis. Findings. Analytical dependencies for calculation of current electromagnetic power losses and basic electromagnetic energy losses of a frequency-controlled asynchronous motor in the modes of positioning with small displacements for various types (linear, parabolic and quasi-optimal of its velocity are obtained. A universal form of the analytical dependence for calculating the optimal acceleration and deceleration times for a frequency-controlled asynchronous motor for positioning with small displacements, corresponding to minimization of the main electromagnetic energy losses of this engine with the indicated positioning for various species (linear, parabolic and quasi-optimal, is obtained. A comparative quantitative assessment of the change is made: the optimum values of the main electromagnetic energy losses of the frequency-controlled asynchronous engine and the corresponding maximum speed and optimal acceleration and deceleration times, in the function of the set prescribed small displacements for the various engine speed trajectories under consideration. Originality. For the first time, analytical dependencies for the calculation of the main electromagnetic energy losses of a frequency-controlled asynchronous motor are obtained for positioning with small displacements as a function of the set values of the movement of the motor shaft and the set values of its acceleration and deceleration times for the specified specified displacements. For the first time, dependences are obtained for a quantitative estimate of the minimum fundamental electromagnetic

  7. Extended wave-packet model to calculate energy-loss moments of protons in matter

    Science.gov (United States)

    Archubi, C. D.; Arista, N. R.

    2017-12-01

    In this work we introduce modifications to the wave-packet method proposed by Kaneko to calculate the energy-loss moments of a projectile traversing a target which is represented in terms of Gaussian functions for the momentum distributions of electrons in the atomic shells. These modifications are introduced using the Levine and Louie technique to take into account the energy gaps corresponding to the different atomic levels of the target. We use the extended wave-packet model to evaluate the stopping power, the energy straggling, the inverse mean free path, and the ionization cross sections for protons in several targets, obtaining good agreements for all these quantities on an extensive energy range that covers low-, intermediate-, and high-energy regions. The extended wave-packet model proposed here provides a method to calculate in a very straightforward way all the significant terms of the inelastic interaction of light ions with any element of the periodic table.

  8. Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

    Science.gov (United States)

    Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

    2016-02-01

    A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

  9. Improved loss calculations for the HDM magnets

    International Nuclear Information System (INIS)

    Mallick, G.T. Jr.; Carr, W.J.; Krefta, M.P.; Johnson, D.

    1994-01-01

    Losses due to ramped fields and currents, quite adequate for the initial design, were calculated previously by Snitchler, Jayakumar, Kovachev, and Orrell for the high energy booster magnets to be used in the SSC. The present analysis considers the loss problem in more detail

  10. Improved calculations of the electronic and nuclear energy losses for light ions penetrating H and He targets at intermediate velocities

    Energy Technology Data Exchange (ETDEWEB)

    Grande, P.L. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica; Schiwietz, G. [Hahn-Meitner-Institut Berlin GmbH (Germany). Dept. FD

    1994-06-01

    A review is given on the use of the coupled-channel method to calculate the electronic and nuclear energy loss of ions penetrating the matter. This first principle calculation based on an expansion of the time dependent electronic wavefunction in terms of atomic orbitals has been applied to evaluate the impact parameter dependence of the electronic energy loss, the stopping cross-section and the fluctuation is energy loss of ions colliding with H and He atoms at energies of 10 keV/amu to 500 keV/amu. The results have been compared to experimental data as well as to others existing models, local density approximation in an electron gas target, harmonic oscillator target treatment and first order plane-wave-Born approximation. (author). 63 refs, 11 figs.

  11. Measurements of energy losses, distributions of energy loss and additivity of energy losses for 50 to 150 keV protons in hydrogen and nine hydrocarbon gases

    International Nuclear Information System (INIS)

    Thorngate, J.H.

    1976-05-01

    Measurements of energy-loss distributions were made for 51, 102, and 153 keV protons traversing hydrogen, methane, ethyne (acetylene), ethene (ethylene), ethane, propyne (methyl acetylene), propadiene (allene), propene (propylene), cyclopropane and propane. The objectives were to test the theories of energy-loss distribution in this energy range and to see if the type of carbon bonding in a hydrocarbon molecule affects the shape of the distribution. Stopping powers and stopping cross sections were also measured at these energies and at 76.5 and 127.5 keV to determine effects of chemical binding. All of the measurements were made at the gas density required to give a 4 percent energy loss. The mean energy, second central moment (a measure of the width of the distribution), and the third central moment (a measure of the skew) were calculated from the measured energy-loss distributions. Stopping power values, calculated using the mean energy, compared reasonably well with those calculated from the Bethe stopping power theory. For the second and third central moments, the best agreement between measurement and theory was when the classical scattering probability was used for the calculations, but even these did not agree well. In all cases, variations were found in the data that could be correlated to the type of carbon binding in the molecule. The differences were statistically significant at a 99 percent confidence interval for the stopping powers and second central moments measured with 51 keV protons. Similar trends were noted at other energies and for the third central moment, but the differences were not statistically significant at the 99 percent confidence interval

  12. Monte Carlo calculation of energy loss of hydrogen and helium ions transmitted under channelling conditions in silicon single crystal

    International Nuclear Information System (INIS)

    El Bounagui, O.; Erramli, H.

    2010-01-01

    In this work, we report on calculations of the electronic channelling energy loss of hydrogen and helium ions along Si and Si axial directions for the low energy range by using the Monte Carlo simulation code. Simulated and experimental data are compared for protons and He ions in the and axis of silicon. A reasonable agreement was found. Computer simulation was also employed to study the angular dependence of energy loss for 0.5, 0.8, 1, and 2 MeV channelled 4 He ions transmitted through a silicon crystal of 3 μm thickness along the axis.

  13. Surface energy loss processes in XPS studied by absolute reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Nagatomi, T.; Goto, K.

    2010-01-01

    The results of the investigation of the inelastic interaction of 300-3000 eV electrons with the Ni and Au surfaces by the analysis of absolute reflection electron energy loss spectroscopy (REELS) spectra were described. The present analysis enables the inelastic mean free path (IMFP), surface excitation parameter (SEP) and differential SEP (DSEP) to be obtained simultaneously from an absolute REELS spectrum. The obtained IMFPs for Ni and Au showed a good agreement with those calculated using the TPP-2M predictive equation. The present SEPs determined for Ni and Au were fitted to the Chen's formula describing the dependence of the SEP on the electron energy, and material parameters for Ni and Au in Chen's formula were proposed. The present DESPs were compared with the theoretical results, and a reasonable agreement between the experimentally determined DSEPs and theoretical results was confirmed. The MC modeling of calculating the REELS spectrum, in which energy loss processes due to surface excitations are taken into account, was also described. The IMFP, SEP and DSEP determined by the present absolute REELS analysis were employed to describe energy loss processes by inelastic scattering in the proposed MC simulation. The simulated REELS spectra were found to be in a good agreement with the experimental spectra for both Ni and Au.

  14. Effect of the van der Waals interaction on the electron energy-loss near edge structure theoretical calculation.

    Science.gov (United States)

    Katsukura, Hirotaka; Miyata, Tomohiro; Tomita, Kota; Mizoguchi, Teruyasu

    2017-07-01

    The effect of the van der Waals (vdW) interaction on the simulation of the electron energy-loss near edge structure (ELNES) by a first-principles band-structure calculation is reported. The effect of the vdW interaction is considered by the Tkatchenko-Scheffler scheme, and the change of the spectrum profile and the energy shift are discussed. We perform calculations on systems in the solid, liquid and gaseous states. The transition energy shifts to lower energy by approximately 0.1eV in the condensed (solid and liquid) systems by introducing the vdW effect into the calculation, whereas the energy shift in the gaseous models is negligible owing to the long intermolecular distance. We reveal that the vdW interaction exhibits a larger effect on the excited state than the ground state owing to the presence of an excited electron in the unoccupied band. Moreover, the vdW effect is found to depend on the local electron density and the molecular coordination. In addition, this study suggests that the detection of the vdW interactions exhibited within materials is possible by a very stable and high resolution observation. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Time-dependent density functional calculation of the energy loss of antiprotons colliding with metallic nanoshells

    International Nuclear Information System (INIS)

    Quijada, M.; Borisov, A.G.; Muino, R.D.

    2008-01-01

    Time-dependent density functional theory is used to study the interaction between antiprotons and metallic nanoshells. The ground state electronic properties of the nanoshell are obtained in the jellium approximation. The energy lost by the antiproton during the collision is calculated and compared to that suffered by antiprotons traveling in metal clusters. The resulting energy loss per unit path length of material in thin nanoshells is larger than the corresponding quantity for clusters. It is shown that the collision process can be interpreted as the antiproton crossing of two nearly bi-dimensional independent metallic systems. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

    Science.gov (United States)

    Ferreira da Silva, F.; Lange, E.; Limão-Vieira, P.; Jones, N. C.; Hoffmann, S. V.; Hubin-Franskin, M.-J.; Delwiche, J.; Brunger, M. J.; Neves, R. F. C.; Lopes, M. C. A.; de Oliveira, E. M.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Blanco, F.; García, G.; Lima, M. A. P.; Jones, D. B.

    2015-10-01

    The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

  17. Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

    International Nuclear Information System (INIS)

    Ferreira da Silva, F.; Lange, E.; Limão-Vieira, P.; Jones, N. C.; Hoffmann, S. V.; Hubin-Franskin, M.-J.; Delwiche, J.; Brunger, M. J.

    2015-01-01

    The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5–10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range

  18. Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira da Silva, F.; Lange, E. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Limão-Vieira, P., E-mail: plimaovieira@fct.unl.pt, E-mail: michael.brunger@flinders.edu.au, E-mail: maplima@ifi.unicamp.br [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Århus C (Denmark); Hubin-Franskin, M.-J.; Delwiche, J. [Départment de Chimie, Institut de Chimie-Bât. B6C, Université de Liège, B-4000 Liège 1 (Belgium); Brunger, M. J., E-mail: plimaovieira@fct.unl.pt, E-mail: michael.brunger@flinders.edu.au, E-mail: maplima@ifi.unicamp.br [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); and others

    2015-10-14

    The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5–10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

  19. Effect of the van der Waals interaction on the electron energy-loss near edge structure theoretical calculation

    Energy Technology Data Exchange (ETDEWEB)

    Katsukura, Hirotaka; Miyata, Tomohiro; Tomita, Kota; Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp

    2017-07-15

    The effect of the van der Waals (vdW) interaction on the simulation of the electron energy-loss near edge structure (ELNES) by a first-principles band-structure calculation is reported. The effect of the vdW interaction is considered by the Tkatchenko-Scheffler scheme, and the change of the spectrum profile and the energy shift are discussed. We perform calculations on systems in the solid, liquid and gaseous states. The transition energy shifts to lower energy by approximately 0.1 eV in the condensed (solid and liquid) systems by introducing the vdW effect into the calculation, whereas the energy shift in the gaseous models is negligible owing to the long intermolecular distance. We reveal that the vdW interaction exhibits a larger effect on the excited state than the ground state owing to the presence of an excited electron in the unoccupied band. Moreover, the vdW effect is found to depend on the local electron density and the molecular coordination. In addition, this study suggests that the detection of the vdW interactions exhibited within materials is possible by a very stable and high resolution observation. - Highlights: • Effect of van der Waals (vdW) interaction in ELNES calculation is investigated. • The vdW interaction influences more to the excited state owing to the presence of excited electron. • The vdW interaction makes spectral shift to lower energy side by 0.1–0.01 eV. • The vdW interaction is negligible in gaseous materials due to long intermolecular distance.

  20. Estimation of fluctuation in restricted energy loss

    International Nuclear Information System (INIS)

    Doke, T.; Hayashi, T.; Nagata, K.

    1983-01-01

    Restricted Energy Loss (REL) is defined as an energy loss [(dE/dX)/sub E//sub delta/<ν/] that produced the delta-rays of energies less than some specified energy ν and is often used as a simple measure of track structure. For example, REL is a measure of track formation threshold in plastic track detector and the growth rate of track in chemical etching solution is considered to depend only on REL given along the track. Using a stack of elastic sheets, recently, it became possible to identify isotopes of incident particles. In that case, the limit of mass resolution is determined by fluctuation of REL in the length of etch pit produced along the path of particle. A computer program was developed to calculate the probability distribution for energy deposition in absorber allowing for electron escape. In this calculation, it is assumed that all electrons with energies greater than a certain value epsilon/sub d/ escape. This means that this calculation directly gives the fluctuation of REL. Therefore, we tried to use the computer program to estimate the ultimate mass resolution in plastic detector. In this paper, we show firstly the comparison of ASB's calculation with the experimental results obtained by a gas counter and next the results of estimation of ultimate mass resolution in plastic detectors

  1. Energy loss and straggling of MeV Si ions in gases

    Energy Technology Data Exchange (ETDEWEB)

    Vockenhuber, C., E-mail: vockenhuber@phys.ethz.ch [Laboratory of Ion Beam Physics, ETH Zurich, Otto-Stern-Weg 5, 8093 Zurich (Switzerland); Arstila, K. [Department of Physics, University of Jyväskylä, 40014 Jyväskylä (Finland); Jensen, J. [Department of Physics, Chemistry and Biology, Linköping University, 581 83 Linköping (Sweden); Julin, J.; Kettunen, H.; Laitinen, M.; Rossi, M.; Sajavaara, T. [Department of Physics, University of Jyväskylä, 40014 Jyväskylä (Finland); Thöni, M. [Laboratory of Ion Beam Physics, ETH Zurich, Otto-Stern-Weg 5, 8093 Zurich (Switzerland); Whitlow, H.J. [Institut des Microtechnologies Appliquées Arc, Haute Ecole Arc Ingénierie, 2300 La Chaux-de-Fonds (Switzerland)

    2017-01-15

    We present measurements of energy loss and straggling of Si ions in gases. An energy range from 0.5 to 12 MeV/u was covered using the 6 MV EN tandem accelerator at ETH Zurich, Switzerland, and the K130 cyclotron accelerator facility at the University of Jyväskylä, Finland. Our energy-loss data compare well with calculation based on the SRIM and PASS code. The new straggling measurements support a pronounced peak in He gas at around 4 MeV/u predicted by recent theoretical calculations. The straggling curve structure in the other gases (N{sub 2}, Ne, Ar, Kr) is relatively flat in the covered energy range. Although there is a general agreement between the straggling data and the theoretical calculations, the experimental uncertainties are too large to confirm or exclude the predicted weak multi-peak structure in the energy-loss straggling.

  2. Cascade-probabilistic function with taking unto account energy losses of ions. Chapter 3

    International Nuclear Information System (INIS)

    1998-01-01

    Mathematical simulation of cascade-probabilistic functions (CPF) for ions with taking into account of energy losses is carried out. Recommendations for CPF calculation on computer are given. Influence of both the interaction number on CPF domain and the interaction depth on CPF domain are determined. Contribution of energy losses into simplest CPF is estimated. Algorithm of radiation defects concentration calculation under ion irradiation with taking into consideration energy losses is cited

  3. Calculation of radiation losses in cylinder symmetric high pressure discharges by means of a digital computer

    International Nuclear Information System (INIS)

    Andriessen, F.J.; Boerman, W.; Holtz, I.F.E.M.

    1973-08-01

    Computer calculations have been made of radiative energy losses in a cylindrically symmetric high pressure discharge. The calculations show that the radiation losses which occur in discharges at pressures of a few atmospheres and central temperatures of about 20000degK when compared with the electrical energy supplied, are only of importance in the neighbourhood of the centre of discharge

  4. Energy loss of MeV protons specularly reflected from metal surfaces

    International Nuclear Information System (INIS)

    Juaristi, J.I.; Garcia de Abajo, F.J.; Echenique, P.M.

    1996-01-01

    A parameter-free model is presented to study the energy loss of fast protons specularly reflected from metal surfaces. The contributions to the energy loss from excitation of valence-band electrons and ionization of localized target-atom electronic states are calculated separately. The former is calculated from the induced surface wake potential using linear response theory and the specular-reflection model, while the latter is calculated in the first Born approximation. The results obtained are in good agreement with available experimental data. However, the experimental qualitative trend of the energy loss as a function of the angle of incidence is obtained when the valence-band electron model is replaced by localized target atom electron states, though with a worse quantitative agreement. copyright 1996 The American Physical Society

  5. Energy losses of superconducting power transmission cables in the grid

    DEFF Research Database (Denmark)

    Østergaard, Jacob; Okholm, Jan; Lomholt, Karin

    2001-01-01

    One of the obvious motives for development of superconducting power transmission cables is reduction of transmission losses. Loss components in superconducting cables as well as in conventional cables have been examined. These losses are used for calculating the total energy losses of conventional...... as well as superconducting cables when they are placed in the electric power transmission network. It is concluded that high load connections are necessary to obtain energy saving by the use of HTSC cables. For selected high load connections, an energy saving of 40% is expected. It is shown...

  6. Direct calculation of wind turbine tip loss

    DEFF Research Database (Denmark)

    Wood, D.H.; Okulov, Valery; Bhattacharjee, D.

    2016-01-01

    . We develop three methods for the direct calculation of the tip loss. The first is the computationally expensive calculation of the velocities induced by the helicoidal wake which requires the evaluation of infinite sums of products of Bessel functions. The second uses the asymptotic evaluation......The usual method to account for a finite number of blades in blade element calculations of wind turbine performance is through a tip loss factor. Most analyses use the tip loss approximation due to Prandtl which is easily and cheaply calculated but is known to be inaccurate at low tip speed ratio...

  7. Calculated and experimental electron energy-loss spectra of La2O3, La(OH)3, and LaOF nanophases in high permittivity lanthanum-based oxide layers

    Science.gov (United States)

    Calmels, L.; Coulon, P. E.; Schamm-Chardon, S.

    2011-06-01

    Using first principles methods, the O K energy-loss near-edge structure of cubic and hexagonal La2O3, La(OH)3, and LaOF phases have been calculated. These calculations support the identification of nanocrystalline phases evidenced experimentally by electron energy-loss spectroscopy (EELS) performed in a transmission electron microscope. The nanocrystals have been observed in atomic layer deposited La2O3 thin films developed for advanced metal-oxide-semiconductor field effect transistor applications. The presence of the nanophases can be explained by the hygroscopicity and the particular reactivity with fluorine of La2O3. These calculations provide a set of EELS fingerprints which will be useful for local phase identification in La2O3-based materials.

  8. To the calculation of energy resolution of ionization calorimeter

    International Nuclear Information System (INIS)

    Uchajkin, V.V.; Lagutin, A.A.

    1976-01-01

    The question of energy resolution of the ionization calorimeter is considered analytically. A method is discussed for calculating the probability characteristics (mean value and dispersion) of energy losses of an electron-photon shower by ionization in the calorimeter volume

  9. Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride

    Science.gov (United States)

    Fossard, Frédéric; Sponza, Lorenzo; Schué, Léonard; Attaccalite, Claudio; Ducastelle, François; Barjon, Julien; Loiseau, Annick

    2017-09-01

    Electron energy loss spectra were measured on hexagonal boron nitride single crystals employing an electron energy loss spectroscopic setup composed of an electron microscope equipped with a monochromator and an in-column filter. This setup provides high-quality energy-loss spectra and allows also for the imaging of energy-filtered diffraction patterns. These two acquisition modes provide complementary pieces of information, offering a global view of excitations in reciprocal space. As an example of the capabilities of the method we show how easily the core loss spectra at the K edges of boron and nitrogen can be measured and imaged. Low losses associated with interband and/or plasmon excitations are also measured. This energy range allows us to illustrate that our method provides results whose quality is comparable to that obtained from nonresonant x-ray inelastic scattering but with advantageous specificities such as an enhanced sensitivity at low q and a much greater simplicity and versatility that make it well adapted to the study of two-dimensional materials and related heterostructures. Finally, by comparing theoretical calculations to our measures, we are able to relate the range of applicability of ab initio calculations to the anisotropy of the sample and assess the level of approximation required for a proper simulation of our acquisition method.

  10. Transmitted ion energy loss distributions to detect cluster formation in silicon

    International Nuclear Information System (INIS)

    Selen, L.J.M.; Loon, A. van; IJzendoorn, L.J. van; Voigt, M.J.A. de

    2002-01-01

    The energy loss distribution of ions transmitted through a 5.7±0.2 μm thick Si crystal was measured and simulated with the Monte Carlo channeling simulation code FLUX. A general resemblance between the measured and simulated energy loss distributions was obtained after incorporation of an energy dependent energy loss in the simulation program. The energy loss calculations are used to investigate the feasibility to detect the presence of light element dopant clusters in a host crystal from the shape of the energy loss distribution, with transmission ion channeling. A curved crystal structure is used as a model for a region in the host crystal with clusters. The presence of the curvature does have a large influence on the transmitted energy distribution, which offers the possibility to determine the presence of dopant clusters in a host crystal with transmission ion channeling

  11. The cascade probabilistic functions with taking into account energy losses for ions. Chapter 3

    International Nuclear Information System (INIS)

    2003-01-01

    In the Chapter 3 the cascade probabilistic functions mathematical simulation with taking into account energy losses for ions are considered. The calculation of the CPF on the computer is carried out. The influence of both the interaction number and the penetration depth on the CPF determination field for ions are revealed. The estimation of energy losses contribution in the simplest CPF is made. Calculation algorithm for radiation defects concentration at ion irradiation with use of the CPF with taking into account of energy losses is given

  12. Density functional theory calculations of energy-loss carbon near-edge spectra of small diameter armchair and zigzag nanotubes: Core-hole, curvature, and momentum-transfer orientation effects

    International Nuclear Information System (INIS)

    Titantah, J.T.; Lamoen, D.; Jorissen, K.

    2004-01-01

    We perform density functional theory calculations on a series of armchair and zigzag nanotubes of diameters less than 1 nm using the all-electron full-potential(-linearized)-augmented-plane-wave method. Emphasis is laid on the effects of curvature, the electron-beam orientation, and the inclusion of the core hole on the carbon electron-energy-loss K edge. The electron-energy-loss near-edge spectra of all the studied tubes show strong curvature effects compared to that of flat graphene. The curvature-induced π-σ hybridization is shown to have a more drastic effect on the electronic properties of zigzag tubes than on those of armchair tubes. We show that the core-hole effect must be accounted for in order to correctly reproduce electron-energy-loss measurements. We also find that the energy-loss near-edge spectra of these carbon systems are dominantly dipole selected and that they can be expressed simply as a proportionality with the local momentum projected density of states, thus portraying the weak energy dependence of the transition matrix elements. Compared to graphite, we report a reduction in the anisotropy as seen on the energy-loss near-edge spectra of carbon nanotubes

  13. The energy-deposition model. Electron loss of heavy ions in collisions with neutral atoms at low and intermediate energies

    International Nuclear Information System (INIS)

    Shevelko, V.P.; Litsarev, M.S.; Kato, D.; Tawara, H.

    2010-09-01

    Single- and multiple-electron loss processes in collisions of heavy many-electron ions (positive and negative) in collisions with neutral atoms at low and intermediate energies are considered using the energy-deposition model. The DEPOSIT computer code, created earlier to calculate electron-loss cross sections at high projectile energies, is extended for low and intermediate energies. A description of a new version of DEPOSIT code is given, and the limits of validity for collision velocity in the model are discussed. Calculated electron-loss cross sections for heavy ions and atoms (N + , Ar + , Xe + , U + , U 28+ , W, W + , Ge - , Au - ), colliding with neutral atoms (He, Ne, Ar, W) are compared with available experimental and theoretical data at energies E > 10 keV/u. It is found that in most cases the agreement between experimental data and the present model is within a factor of 2. Combining results obtained by the DEPOSIT code at low and intermediate energies with those by the LOSS-R code at high energies (relativistic Born approximation), recommended electron-loss cross sections in a wide range of collision energy are presented. (author)

  14. Turbulent energy losses during orchard heating

    Energy Technology Data Exchange (ETDEWEB)

    Bland, W.L.

    1979-01-01

    Two rapid-response drag anemometers and low time constant thermocouples, all at 4 m above a heated orchard floor, sampled wind component in the vertical direction and temperature at 30 Hz. The turbulent heat flux calculated revealed not more than 10% of the heat lost from the orchard was via turbulent transort. The observations failed to support previous estimates that at least a third of the energy applied was lost through turbulent transport. Underestimation of heat loss due to mean flow and a newly revealed flux due to spatial variations in the mean flow may explain the unaccounted for loss.

  15. Neutrino energy loss rates due to key iron isotopes for core-collapse physics

    International Nuclear Information System (INIS)

    Nabi, J.-U.

    2008-07-01

    Accurate estimates of neutrino energy loss rates are needed for the study of the late stages of the stellar evolution, in particular for the cooling of neutron stars and white dwarfs. The energy spectra of neutrinos and antineutrinos arriving at the Earth can also provide useful information on the primary neutrino fluxes as well as neutrino mixing scenario. Proton-neutron quasi-particle random phase approximation (pn-QRPA) theory has recently being used for a microscopic calculation of stellar weak interaction rates of fp-shell nuclide, particularly iron isotopes, with success. Here I present the calculation of neutrino and antineutrino energy loss rates due to key iron isotopes in stellar matter using the pn-QRPA theory. The rates are calculated on a fine grid of temperature-density scale suitable for core-collapse simulators. The calculated rates are compared against earlier calculations. The neutrino cooling rates due to even-even isotopes of iron, 54,56 Fe, are in good agreement with the rates calculated using the large-scale shell model. The pn-QRPA calculated neutrino energy loss rates due to 55 Fe are enhanced roughly around an order of magnitude compared to the large-scale shell model calculation during the oxygen and silicon shell burning stages of massive stars and favor a lower entropy for the cores of massive stars. (author)

  16. Inelastic collisions of medium energy atomic elements. Qualitative model of energy losses during collisions

    International Nuclear Information System (INIS)

    Pustovit, A.N.

    2006-01-01

    A new approach to the theoretical description of energy losses of atomic particle of medium energy during their interaction with the substance is proposed. The corner-stone of this approach is the supposition that all of the collision processes have inelastic nature during particle movement through the substance, while the calculation of the atomic particles braking is based on the law of their dispersion and the laws of energy and momentum conservation at the inelastic collisions. It is shown that inelastic atomic collision there are three dispersion zones for the only potential interaction with different laws, which characterize energy losses. The application conditions of this approach are determined [ru

  17. Direct observation and theory of trajectory-dependent electronic energy losses in medium-energy ion scattering.

    Science.gov (United States)

    Hentz, A; Parkinson, G S; Quinn, P D; Muñoz-Márquez, M A; Woodruff, D P; Grande, P L; Schiwietz, G; Bailey, P; Noakes, T C Q

    2009-03-06

    The energy spectrum associated with scattering of 100 keV H+ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.

  18. Calculation of core loss and copper loss in amorphous/nanocrystalline core-based high-frequency transformer

    Directory of Open Access Journals (Sweden)

    Xiaojing Liu

    2016-05-01

    Full Text Available Amorphous and nanocrystalline alloys are now widely used for the cores of high-frequency transformers, and Litz-wire is commonly used as the windings, while it is difficult to calculate the resistance accurately. In order to design a high-frequency transformer, it is important to accurately calculate the core loss and copper loss. To calculate the core loss accurately, the additional core loss by the effect of end stripe should be considered. It is difficult to simulate the whole stripes in the core due to the limit of computation, so a scale down model with 5 stripes of amorphous alloy is simulated by the 2D finite element method (FEM. An analytical model is presented to calculate the copper loss in the Litz-wire, and the results are compared with the calculations by FEM.

  19. Energy losses in switches

    International Nuclear Information System (INIS)

    Martin, T.H.; Seamen, J.F.; Jobe, D.O.

    1993-01-01

    The authors experiments show energy losses between 2 and 10 times that of the resistive time predictions. The experiments used hydrogen, helium, air, nitrogen, SF 6 polyethylene, and water for the switching dielectric. Previously underestimated switch losses have caused over predicting the accelerator outputs. Accurate estimation of these losses is now necessary for new high-efficiency pulsed power devices where the switching losses constitute the major portion of the total energy loss. They found that the switch energy losses scale as (V peak I peak ) 1.1846 . When using this scaling, the energy losses in any of the tested dielectrics are almost the same. This relationship is valid for several orders of magnitude and suggested a theoretical basis for these results. Currents up to .65 MA, with voltages to 3 MV were applied to various gaps during these experiments. The authors data and the developed theory indicates that the switch power loss continues for a much longer time than the resistive time, with peak power loss generally occurring at peak current in a ranging discharge instead of the early current time. All of the experiments were circuit code modeled after developing a new switch loss version based on the theory. The circuit code predicts switch energy loss and peak currents as a function of time. During analysis of the data they noticed slight constant offsets between the theory and data that depended on the dielectric. They modified the plasma conductivity for each tested dielectric to lessen this offset

  20. Calculation Tool for Determining the Net Energy Gain

    DEFF Research Database (Denmark)

    Laustsen, Jacob Birck; Svendsen, Svend

    2002-01-01

    is dependent on both the U-values and the g-values. Beyond this it is dependent on the orientation of the windows and the climate and the actual period. This makes it difficult to choose the glazings and windows that are optimal with regard to energy performance in a given case. These facts have aroused a need...... for simple and accurate methods to determine and compare the energy performance of different window products. When choosing windows for new buildings or retrofitting a calculation tool that in a simple way determines the net energy gain from the specific windows in the actual building will ease the selection...... of the best window solution. Such a tool combined with a database with window products can make calculations of the heat loss or energy demand corresponding to the requirements in the new building code easier and more correct. In the paper, methods to determine energy performance data and the net energy gain...

  1. Model for Calculating Electrolytic Shunt Path Losses in Large Electrochemical Energy Conversion Systems

    Science.gov (United States)

    Prokopius, P. R.

    1976-01-01

    Generalized analysis and solution techniques were developed to evaluate the shunt power losses in electrochemical systems designed with a common or circulating electrolyte supply. Sample data are presented for a hypothetical bulk energy storage redox system, and the general applicability of the analysis technique is discussed.

  2. Monte carlo calculation of energy deposition and ionization yield for high energy protons

    International Nuclear Information System (INIS)

    Wilson, W.E.; McDonald, J.C.; Coyne, J.J.; Paretzke, H.G.

    1985-01-01

    Recent calculations of event size spectra for neutrons use a continuous slowing down approximation model for the energy losses experienced by secondary charged particles (protons and alphas) and thus do not allow for straggling effects. Discrepancies between the calculations and experimental measurements are thought to be, in part, due to the neglect of straggling. A tractable way of including stochastics in radiation transport calculations is via the Monte Carlo method and a number of efforts directed toward simulating positive ion track structure have been initiated employing this technique. Recent results obtained with our updated and extended MOCA code for charged particle track structure are presented here. Major emphasis has been on calculating energy deposition and ionization yield spectra for recoil proton crossers since they are the most prevalent event type at high energies (>99% at 14 MeV) for small volumes. Neutron event-size spectra can be obtained from them by numerical summing and folding techniques. Data for ionization yield spectra are presented for simulated recoil protons up to 20 MeV in sites of diameters 2-1000 nm

  3. Improving MODPRESS heat loss calculations for PWR pressurizers

    International Nuclear Information System (INIS)

    Ramos, Natalia V.; Lira, Carlos A. Brayner O.; Castrillho, Lazara S.

    2009-01-01

    The improvement of heat loss calculations in MODPRESS transient code for PWR pressurizer analysis is the main focus of this investigation. Initially, a heat loss model was built based on heat transfer coefficient (HTC) correlations obtained in handbooks of thermal engineering. A hand calculation for Neptunus experimental test number U47 yielded a thermal power loss of 11.2 kW against 17.3 kW given by MODPRESS at the same conditions, while the experimental estimate is given as 17 kW. This comparison is valid only for steady state or before starting the transient experiment, because MODPRESS does not update HTC's when the transient phase begins. Furthermore, it must be noted that MODPRESS heat transfer coefficients are adjusted to reproduce the experimental value of the specific type of pressurizer. After inserting the new routine for HTC's into MODPRESS, the heat loss was calculated as 11.4 kW, a value very close to the first estimate but far below 17 kW found in the U47 experiment. In this paper, the heat loss model and results will be described. Further research is being developed to find a more general HTC that allows the analysis of the effects of heat losses on transient behavior of Neptunus and IRIS pressurizers. (author)

  4. First-Principles Vibrational Electron Energy Loss Spectroscopy of β -Guanine

    Science.gov (United States)

    Radtke, G.; Taverna, D.; Lazzeri, M.; Balan, E.

    2017-07-01

    A general approach to model vibrational electron energy loss spectra obtained using an electron beam positioned away from the specimen is presented. The energy-loss probability of the fast electron is evaluated using first-principles quantum mechanical calculations (density functional theory) of the dielectric response of the specimen. The validity of the method is assessed using recently measured anhydrous β -guanine, an important molecular solid used by animals to produce structural colors. The good agreement between theory and experiments lays the basis for a quantitative interpretation of this spectroscopy in complex systems.

  5. Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

    Science.gov (United States)

    Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

    2018-06-01

    A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ( E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ( E, q) as found in optical spectra and ab initio calculations of aluminum.

  6. Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

    Science.gov (United States)

    Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

    2018-04-01

    A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ(E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ(E, q) as found in optical spectra and ab initio calculations of aluminum.

  7. Prediction of transmission loss through an aircraft sidewall using statistical energy analysis

    Science.gov (United States)

    Ming, Ruisen; Sun, Jincai

    1989-06-01

    The transmission loss of randomly incident sound through an aircraft sidewall is investigated using statistical energy analysis. Formulas are also obtained for the simple calculation of sound transmission loss through single- and double-leaf panels. Both resonant and nonresonant sound transmissions can be easily calculated using the formulas. The formulas are used to predict sound transmission losses through a Y-7 propeller airplane panel. The panel measures 2.56 m x 1.38 m and has two windows. The agreement between predicted and measured values through most of the frequency ranges tested is quite good.

  8. Transmission Loss Calculation using A and B Loss Coefficients in Dynamic Economic Dispatch Problem

    Science.gov (United States)

    Jethmalani, C. H. Ram; Dumpa, Poornima; Simon, Sishaj P.; Sundareswaran, K.

    2016-04-01

    This paper analyzes the performance of A-loss coefficients while evaluating transmission losses in a Dynamic Economic Dispatch (DED) Problem. The performance analysis is carried out by comparing the losses computed using nominal A loss coefficients and nominal B loss coefficients in reference with load flow solution obtained by standard Newton-Raphson (NR) method. Density based clustering method based on connected regions with sufficiently high density (DBSCAN) is employed in identifying the best regions of A and B loss coefficients. Based on the results obtained through cluster analysis, a novel approach in improving the accuracy of network loss calculation is proposed. Here, based on the change in per unit load values between the load intervals, loss coefficients are updated for calculating the transmission losses. The proposed algorithm is tested and validated on IEEE 6 bus system, IEEE 14 bus, system IEEE 30 bus system and IEEE 118 bus system. All simulations are carried out using SCILAB 5.4 (www.scilab.org) which is an open source software.

  9. Calculations on charge state and energy loss of argon ions in partially and fully ionized carbon plasmas.

    Science.gov (United States)

    Barriga-Carrasco, Manuel D; Casas, David; Morales, Roberto

    2016-03-01

    The energy loss of argon ions in a target depends on their velocity and charge density. At the energies studied in this work, it depends mostly on the free and bound electrons in the target. Here the random-phase approximation is used for analyzing free electrons at any degeneracy. For the plasma-bound electrons, an interpolation between approximations for low and high energies is applied. The Brandt-Kitagawa (BK) model is employed to depict the projectile charge space distribution, and the stripping criterion of Kreussler et al. is used to determine its equilibrium charge state Q(eq). This latter criterion implies that the equilibrium charge state depends slightly on the electron density and temperature of the plasma. On the other hand, the effective charge Q(eff) is obtained as the ratio between the energy loss of the argon ion and that of the proton for the same plasma conditions. This effective charge Q(eff) is larger than the equilibrium charge state Q(eq) due to the incorporation of the BK charge distribution. Though our charge-state estimations are not exactly the same as the experimental values, our energy loss agrees quite well with the experiments. It is noticed that the energy loss in plasmas is higher than that in the same cold target of about, ∼42-62.5% and increases with carbon plasma ionization. This confirms the well-known enhanced plasma stopping. It is also observed that only a small part of this energy loss enhancement is due to an increase of the argon charge state, namely only ∼2.2 and 5.1%, for the partially and the fully ionized plasma, respectively. The other contribution is connected with a better energy transfer to the free electrons at plasma state than to the bound electrons at solid state of about, ∼38.8-57.4%, where higher values correspond to a fully ionized carbon plasma.

  10. Analytical calculation of dE/dx cluster-charge loss due to threshold effects

    International Nuclear Information System (INIS)

    Brady, F.P.; Dunn, J.

    1997-01-01

    This letter presents a simple analytical approximation which allows one to estimate the effect of ADC threshold on the measured cluster-charge size as used for dE/dx determinations. The idea is to gain some intuitive understanding of the cluster-charge loss and not to replace more accurate simulations. The method is applied to the multiple sampling measurements of energy loss in the main time projection chambers (TPCs) of the NA49 experiment at CERN SPS. The calculations are in reasonable agreement with data. (orig.)

  11. An investigation of standby energy losses in residential sector: Solutions and policies

    Energy Technology Data Exchange (ETDEWEB)

    Singh Solanki, Parmal [Caledonian (University) College of Engineering, Muscat (Oman); Sarma Mallela, Venkateswara [G. Narayanamma Institute of Technology and Science (for Women), Hyderabad (India); Zhou, Chengke [Glasgow Caledonian University, Glasgow, Scotland (United Kingdom)

    2013-07-01

    This paper investigates the standby power losses of household appliances and determines these losses by field measurements and bottom-up approaches. It is revealed that average standby power losses of e-appliances at household in Oman is 103.4 Watts and could further increase if other miscellaneous appliances are also taken into account. Calculations show that TV sets alone are responsible to consume 1.89 MW standby powers across the country. The paper considers various technological and socio-economic options to diminish the standby power consumption and signify that 42.72% of energy consumed by appliances can be saved by end-users implementing suitable measures. Energy management programmes like energy efficiency standards, labelling and policy instruments to tackle the standby power losses are also discussed. Finally, paper looks into the barriers and their way-outs to implement the energy efficiency standards and labelling.

  12. Target electron collision effects on energy loss straggling of protons in an electron gas at any degeneracy

    International Nuclear Information System (INIS)

    Barriga-Carrasco, Manuel D.

    2008-01-01

    The purpose of the present paper is to describe the effects of target electron collisions on proton energy loss straggling in plasmas at any degeneracy. Targets are considered fully ionized so electronic energy loss is only due to the free electrons. The analysis is focused on targets with electronic density around solid values n e ≅10 23 cm -3 and with temperature around T≅10 eV; these targets are in the limit of weakly coupled electron gases. These types of plasma targets have not been studied extensively, though they are very important for inertial confinement fusion. The energy loss straggling is obtained from an exact quantum-mechanical evaluation, which takes into account the degeneracy of the target plasma, and later it is compared with common classical and degenerate approximations. Then electron collisions in the exact quantum-mechanical straggling calculation are considered. Now the energy loss straggling is enhanced for energies smaller than the energy before the maximum, then decreases around this maximum, and finally tends to the same values with respect to noncollisional calculation. Differences with the same results but not taking into account these collisions are as far as 17% in the cases analyzed. As an example, proton range distributions have been calculated to show the importance of an accurate energy straggling calculation

  13. Marginal Loss Calculations for the DCOPF

    Energy Technology Data Exchange (ETDEWEB)

    Eldridge, Brent [Federal Energy Regulatory Commission, Washington, DC (United States); Johns Hopkins Univ., Baltimore, MD (United States); O' Neill, Richard P. [Federal Energy Regulatory Commission, Washington, DC (United States); Castillo, Andrea R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-12-05

    The purpose of this paper is to explain some aspects of including a marginal line loss approximation in the DCOPF. The DCOPF optimizes electric generator dispatch using simplified power flow physics. Since the standard assumptions in the DCOPF include a lossless network, a number of modifications have to be added to the model. Calculating marginal losses allows the DCOPF to optimize the location of power generation, so that generators that are closer to demand centers are relatively cheaper than remote generation. The problem formulations discussed in this paper will simplify many aspects of practical electric dispatch implementations in use today, but will include sufficient detail to demonstrate a few points with regard to the handling of losses.

  14. Study on Frequency Dependency of ON-Resistance and Pulse-Loss Calculation of MOSFETs for Switch Mode Power Supply

    Science.gov (United States)

    Yamamura, Hideho; Sato, Ryohei; Iwata, Yoshiharu

    Global efforts toward energy conservation, increasing data centers, and the increasing use of IT equipments are leading to a demand in reduced power consumption of equipments, and power efficiency improvement of power supply units is becoming a necessity. MOSFETs are widely used for their low ON-resistances. Power efficiency is designed using time-domain circuit simulators, except for transformer copper-loss, which has frequency dependency which is calculated separately using methods based on skin and proximity effects. As semiconductor technology reduces the ON-resistance of MOSFETs, frequency dependency due to the skin effect or proximity effect is anticipated. In this study, ON-resistance of MOSFETs are measured and frequency dependency is confirmed. Power loss against rectangular current pulse is calculated. The calculation method for transformer copper-loss is expanded to MOSFETs. A frequency function for the resistance model is newly developed and parametric calculation is enabled. Acceleration of calculation is enabled by eliminating summation terms. Using this method, it is shown that the frequency dependent component of the measured MOSFETs increases the dissipation from 11% to 32% at a switching frequency of 100kHz. From above, this paper points out the importance of the frequency dependency of MOSFETs' ON-resistance, provides means of calculating its pulse losses, and improves loss calculation accuracy of SMPSs.

  15. Energy loss of ions by electric-field fluctuations in a magnetized plasma.

    Science.gov (United States)

    Nersisyan, Hrachya B; Deutsch, Claude

    2011-06-01

    The results of a theoretical investigation of the energy loss of charged particles in a magnetized classical plasma due to the electric-field fluctuations are reported. The energy loss for a test particle is calculated through the linear-response theory. At vanishing magnetic field, the electric-field fluctuations lead to an energy gain of the charged particle for all velocities. It has been shown that in the presence of strong magnetic field, this effect occurs only at low velocities. In the case of high velocities, the test particle systematically loses its energy due to the interaction with a stochastic electric field. The net effect of the fluctuations is the systematic reduction of the total energy loss (i.e., the sum of the polarization and stochastic energy losses) at vanishing magnetic field and reduction or enhancement at strong field, depending on the velocity of the particle. It is found that the energy loss of the slow heavy ion contains an anomalous term that depends logarithmically on the projectile mass. The physical origin of this anomalous term is the coupling between the cyclotron motion of the plasma electrons and the long-wavelength, low-frequency fluctuations produced by the projectile ion. This effect may strongly enhance the stochastic energy gain of the particle.

  16. Measuring, calculating and estimating PEP's parasitic mode loss parameters

    International Nuclear Information System (INIS)

    Weaver, J.N.

    1981-01-01

    This note discusses various ways the parasitic mode losses from a bunched beam to a vacuum chamber can be measured, calculated or estimated. A listing of the parameter, k, for the various PEP ring components is included. A number of formulas for calculating multiple and single pass losses are discussed and evaluated for several cases. 25 refs., 1 fig., 1 tab

  17. Probing hot dense matter with jet energy loss

    International Nuclear Information System (INIS)

    Levai, P.; Barnafoeldi, G.G.; Gyulassy, M.; Vitev, I.; Fai, G.; Zhang, Y.

    2002-01-01

    We study, in a pQCD calculation augmented by nuclear effects, the jet energy loss needed to reproduce the π 0 spectra in Au+Au collisions at large p T , measured by PHENIX at RHIC. The transverse width of the parton momentum distributions (intrinsic k T ) is used phenomenologically to obtain a reliable baseline pp result. Jet quenching is applied to the nuclear spectra (including shadowing and multiscattering) to fit the data. Latest results on fluctuating gluon radiation are considered to measure the opacity of the produced hot dense matter at RHIC energy. (orig.)

  18. Evaluation of Losses Of Cold Energy of Cryogen Products in The Transport Systems

    Science.gov (United States)

    Uglanov, Dmitry; Sarmin, Dmitry; Tsapkova, Alexandra; Burdina, Yana

    2017-12-01

    At present, there are problems of energy saving in various areas of human life and in power complexes of industrial plants. One possible solution to the problem of increasing energy efficiency is the use of liquefied natural gas and its cold energy. Pipelines for fuel or gas supply in cryogen supply systems have different length depending on the mutual position of storage and cryogen consumption devices relatively to a start construction. Cryogen supply and transport systems include a lot of fittings of different assortment. Reservoirs can be installed on different elevation points. To reduce heat inleak and decrease cold energy of cryogen product different kinds of thermal insulation are used. Cryogen pipelines provide required operation conditions of storage and gasifying systems. The aim of the thermal calculation of cryogen transport and supply systems is to define the value of cryogen heat. In this paper it is shown values of cryogen temperature rise due to heat inleaks at cryogen’s transfer along transport systems for ethane, methane, oxygen and nitrogen were calculated. Heat inleaks also due to hydraulic losses were calculated. Specific losses of cold energy of cryogen product for laminar and turbulent flow were calculated. Correspondences of temperature rise, critical pipeline’s length and Reynolds number were defined for nitrogen, argon, methane and oxygen.

  19. Energy-loss measurements with heavy ions at relativistic energies

    International Nuclear Information System (INIS)

    Blank, B.; Gaimard, J.J.; Geissel, H.; Muenzenberg, G.; Schmidt, K.H.; Stelzer, H.; Suemmerer; Clerc, H.G.; Hanelt, E.; Steiner, M.; Voss, B.

    1990-03-01

    Using the magnetic spectrometer SPES I at SATURNE, energy-loss measurements have been performed for projectiles of 40 Ar (401 MeV/u), 36 P (362 MeV/u), 15 N (149 MeV/u), 11 Li (131 MeV/u) and 8 Li, 9 Li (130 MeV/u) in carbon, aluminum and lead targets. The experimental results are compared to calculations based on a modified relativistic Bethe formula and to a semi-empirical formula using a Z 2 scaling law for the stopping power and an effective charge parametrization for the heavy ions. (orig.)

  20. Calculation of the yearly energy performance of heating systems based on the European Building Energy Directive and related CEN Standards

    DEFF Research Database (Denmark)

    Olesen, Bjarne W.; de Carli, Michele

    2011-01-01

    According to the Energy Performance of Buildings Directive (EPBD) all new European buildings (residential, commercial, industrial, etc.) must since 2006 have an energy declaration based on the calculated energy performance of the building, including heating, ventilating, cooling and lighting syst......–20% of the building energy demand. The additional loss depends on the type of heat emitter, type of control, pump and boiler. Keywords: Heating systems; CEN standards; Energy performance; Calculation methods......According to the Energy Performance of Buildings Directive (EPBD) all new European buildings (residential, commercial, industrial, etc.) must since 2006 have an energy declaration based on the calculated energy performance of the building, including heating, ventilating, cooling and lighting...... systems. This energy declaration must refer to the primary energy or CO2 emissions. The European Organization for Standardization (CEN) has prepared a series of standards for energy performance calculations for buildings and systems. This paper presents related standards for heating systems. The relevant...

  1. Construction of energy loss function for low-energy electrons in helium

    Energy Technology Data Exchange (ETDEWEB)

    Dayashankar, [Bhabha Atomic Research Centre, Bombay (India). Div. of Radiation Protection

    1976-02-01

    The energy loss function for electrons in the energy range from 50 eV to 1 keV in helium gas has been constructed by considering separately the energy loss in overcoming the ionization threshold, the loss manifested as kinetic energy of secondary electrons and the loss in the discrete state excitations. This has been done by utilizing recent measurements of Opal et al. on the energy spectrum of secondary electrons and incorporating the experimental data on cross sections for twenty-four excited states. The present results of the energy loss function are in good agreement with the Bethe formula for energies above 500 eV. For lower energies, where the Bethe formula is not applicable, the present results should be particularly useful.

  2. Deterministic models for energy-loss straggling

    International Nuclear Information System (INIS)

    Prinja, A.K.; Gleicher, F.; Dunham, G.; Morel, J.E.

    1999-01-01

    Inelastic ion interactions with target electrons are dominated by extremely small energy transfers that are difficult to resolve numerically. The continuous-slowing-down (CSD) approximation is then commonly employed, which, however, only preserves the mean energy loss per collision through the stopping power, S(E) = ∫ 0 ∞ dEprime (E minus Eprime) σ s (E → Eprime). To accommodate energy loss straggling, a Gaussian distribution with the correct mean-squared energy loss (akin to a Fokker-Planck approximation in energy) is commonly used in continuous-energy Monte Carlo codes. Although this model has the unphysical feature that ions can be upscattered, it nevertheless yields accurate results. A multigroup model for energy loss straggling was recently presented for use in multigroup Monte Carlo codes or in deterministic codes that use multigroup data. The method has the advantage that the mean and mean-squared energy loss are preserved without unphysical upscatter and hence is computationally efficient. Results for energy spectra compared extremely well with Gaussian distributions under the idealized conditions for which the Gaussian may be considered to be exact. Here, the authors present more consistent comparisons by extending the method to accommodate upscatter and, further, compare both methods with exact solutions obtained from an analog Monte Carlo simulation, for a straight-ahead transport problem

  3. Derivation of Hamaker Dispersion Energy of Amorphous Carbon Surfaces in Contact with Liquids Using Photoelectron Energy-Loss Spectra

    Science.gov (United States)

    Godet, Christian; David, Denis

    2017-12-01

    Hamaker interaction energies and cutoff distances have been calculated for disordered carbon films, in contact with purely dispersive (diiodomethane) or polar (water) liquids, using their experimental dielectric functions ɛ ( q, ω) obtained over a broad energy range. In contrast with previous works, a q-averaged q is derived from photoelectron energy-loss spectroscopy (XPS-PEELS) where the energy loss function (ELF) q is a weighted average over allowed transferred wave vector values, q, given by the physics of bulk plasmon excitation. For microcrystalline diamond and amorphous carbon films with a wide range of (sp3/sp2 + sp3) hybridization, non-retarded Hamaker energies, A 132 ( L < 1 nm), were calculated in several configurations, and distance and wavenumber cutoff values were then calculated based on A 132 and the dispersive work of adhesion obtained from contact angles. A geometric average approximation, H 0 CVL = ( H 0 CVC H 0 LVL )1/2, holds for the cutoff separation distances obtained for carbon-vacuum-liquid (CVL), carbon-vacuum-carbon (CVC) and liquid-vacuum-liquid (LVL) equilibrium configurations. The linear dependence found for A CVL, A CLC and A CLV values as a function of A CVC, for each liquid, allows predictive relationships for Hamaker energies (in any configuration) using experimental determination of the dispersive component of the surface tension, {γ}_{CV}^d , and a guess value of the cutoff distance H 0 CVC of the solid. [Figure not available: see fulltext.

  4. Loss energy states of nonstationary quantum systems

    International Nuclear Information System (INIS)

    Dodonov, V.V.; Man'ko, V.I.

    1978-01-01

    The concept of loss energy states is introduced. The loss energy states of the quantum harmonic damping oscillator are considered in detail. The method of constructing the loss energy states for general multidimensional quadratic nonstationary quantum systems is briefly discussed

  5. Radiative loss and charge exchange in low energy Na - Ca+ collisions

    Science.gov (United States)

    McLaughlin, B. M.; McAlpine, K.; McCann, J. F.; Pattillo, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.

    2016-05-01

    Experiments on radiative loss and capture are currently being performed at the University of Connecticut. In response to this experimental effort we have performed detailed calculations for a variety of loss and capture processes. Several low lying states of the NaCa+ cation are used with the accurate potentials energy curves, transition dipole moments and non-adiabatic coupling matrix elements between the states, obtained at the MRCI+Q level of approximation with the MOLPRO suite of quantum chemistry codes. Cross sections and rate coefficients are calculated for radiative charge transfer (RCX), radiative association (RA) and charge exchange in a fully quantum molecular close-coupling (MOCC) approximation at the higher energies. We use a variety of approaches, the optical potential method, semi-classical and MOCC methods to compare and contrast approximations. In addition a kinetic theory recently applied to SiO is utilized which illustrates the dramatic impact resonances have on the radiative association rates. Supported by NASA and HLRS at Stuttgart University.

  6. No-load loss calculation of distribution transformers supplied by nonsinusoidal voltage using three-dimensional finite element analysis

    International Nuclear Information System (INIS)

    Yazdani-Asrami, Mohammad; Mirzaie, Mohammad; Shayegani Akmal, Amir Abbas

    2013-01-01

    Transformers are basically designed to operate under nominal voltage, rated frequency and also, pure sinusoidal load current. In recent decade, change in the type of loads and increasing use of power electronic devices with their nonsinusoidal current waveform has distorted the system voltage waveform as well. The losses of transformers include load and no-load losses. No-load loss continuously led to loss of energy in transformers that are connected to the network in all 24 h. With respect to high significance of energy and undesirable impacts of losses on the aging of transformers, the no-load loss is considered as a critical factor. Nowadays, it is necessary to apply a suitable method for calculation of no-load loss in presence of the voltage harmonics and over-excite conditions, especially for distribution transformers, as a result of harmonic increase in the voltage and current in the network and particular applications. In this paper, Finite Element Method (FEM) has been used to simulate nonsinusoidal voltage effects on no-load loss of transformers. Such simulation enables the software to simulate and analyze different electromagnetic parameters such as flux lines, flux density, losses, and etc under different input sources and with high accuracy. In addition, effect of nonsinusoidal voltages on no-load loss has been investigated by a typical experimental transformer using several practical tests. - Highlights: ► FEM has been employed to loss calculation of distribution transformer under distorted voltages. ► This method gives accurate results in comparison with standard or circuit based methods. ► A new version of 3D FEM has been used, this approach is electromagnetic based. ► In literature, FEM always used for study of transformer load loss and most of them based on magneto-static FEM. ► FEM results are validated by experiment for small test transformer

  7. Calculating zeros: Non-equilibrium free energy calculations

    International Nuclear Information System (INIS)

    Oostenbrink, Chris; Gunsteren, Wilfred F. van

    2006-01-01

    Free energy calculations on three model processes with theoretically known free energy changes have been performed using short simulation times. A comparison between equilibrium (thermodynamic integration) and non-equilibrium (fast growth) methods has been made in order to assess the accuracy and precision of these methods. The three processes have been chosen to represent processes often observed in biomolecular free energy calculations. They involve a redistribution of charges, the creation and annihilation of neutral particles and conformational changes. At very short overall simulation times, the thermodynamic integration approach using discrete steps is most accurate. More importantly, reasonable accuracy can be obtained using this method which seems independent of the overall simulation time. In cases where slow conformational changes play a role, fast growth simulations might have an advantage over discrete thermodynamic integration where sufficient sampling needs to be obtained at every λ-point, but only if the initial conformations do properly represent an equilibrium ensemble. From these three test cases practical lessons can be learned that will be applicable to biomolecular free energy calculations

  8. Energy-loss return gate via liquid dielectric polarization.

    Science.gov (United States)

    Kim, Taehun; Yong, Hyungseok; Kim, Banseok; Kim, Dongseob; Choi, Dukhyun; Park, Yong Tae; Lee, Sangmin

    2018-04-12

    There has been much research on renewable energy-harvesting techniques. However, owing to increasing energy demands, significant energy-related issues remain to be solved. Efforts aimed at reducing the amount of energy loss in electric/electronic systems are essential for reducing energy consumption and protecting the environment. Here, we design an energy-loss return gate system that reduces energy loss from electric/electronic systems by utilizing the polarization of liquid dielectrics. The use of a liquid dielectric material in the energy-loss return gate generates electrostatic potential energy while reducing the dielectric loss of the electric/electronic system. Hence, an energy-loss return gate can make breakthrough impacts possible by amplifying energy-harvesting efficiency, lowering the power consumption of electronics, and storing the returned energy. Our study indicates the potential for enhancing energy-harvesting technologies for electric/electronics systems, while increasing the widespread development of these systems.

  9. How strongly does appetite counter weight loss? Quantification of the feedback control of human energy intake

    Science.gov (United States)

    Polidori, David; Sanghvi, Arjun; Seeley, Randy; Hall, Kevin D.

    2016-01-01

    Objective To quantify the feedback control of energy intake in response to long-term covert manipulation of energy balance in free-living humans. Methods We used a validated mathematical method to calculate energy intake changes during a 52 week placebo-controlled trial in 153 patients treated with canagliflozin, a sodium glucose co-transporter inhibitor that increases urinary glucose excretion thereby resulting in weight loss without patients being directly aware of the energy deficit. We analyzed the relationship between the body weight time course and the calculated energy intake changes using principles from engineering control theory. Results We discovered that weight loss leads to a proportional increase in appetite resulting in eating above baseline by ~100 kcal/day per kg of lost weight – an amount more than 3-fold larger than the corresponding energy expenditure adaptations. Conclusions While energy expenditure adaptations are often thought to be the main reason for slowing of weight loss and subsequent regain, feedback control of energy intake plays an even larger role and helps explain why long-term maintenance of a reduced body weight is so difficult. PMID:27804272

  10. ACCOUNTING OF REACTIVE POWER COMPENSATION LEVEL AT PAYMENT CALCULATION OF TECHNOLOGICAL CONSUMPTION (LOSSES OF ELECTRIC POWER FOR ITS TRANSMISSION IN POWER NETWORK

    Directory of Open Access Journals (Sweden)

    E. P. Zabello

    2005-01-01

    Full Text Available The method is proposed to make a correction in payment for consumption of reactive energy and power which is attributed to deviation of actual activation energy losses for reactive power compensation from their standard value. It is recommended to calculate standard loss values for every voltage level and actual loss values are to be determined with the help of application of remote electronic accounting means in the current mode of power consumption.

  11. Energy loss and (de)coherence effects beyond eikonal approximation

    CERN Document Server

    Apolinário, Liliana; Milhano, Guilherme; Salgado, Carlos A.

    2014-01-01

    The parton branching process is known to be modified in the presence of a medium. Colour decoherence processes are known to determine the process of energy loss when the density of the medium is large enough to break the correlations between partons emitted from the same parent. In order to improve existing calculations that consider eikonal trajectories for both the emitter and the hardest emitted parton, we provide in this work, the calculation of all finite energy corrections for the gluon radiation off a quark in a QCD medium that exist in the small angle approximation and for static scattering centres. Using the path integral formalism, all particles are allowed to undergo Brownian motion in the transverse plane and the offspring allowed to carry an arbitrary fraction of the initial energy. The result is a general expression that contains both coherence and decoherence regimes that are controlled by the density of the medium and by the amount of broadening that each parton acquires independently.

  12. LRSPC, Proton High-Energy Loss in Matter

    International Nuclear Information System (INIS)

    2001-01-01

    1 - Description of program or function: The LRSPC program is designed to estimate the energy loss, due to ionization and excitation, and the range of charged particles passing through matter. The code treats protons in elements or mixtures composed of elements with atomic numbers ranging from 1 to 100. The results for protons are generally valid from 1 MeV to 100 GeV. The code may be extended to treat other charged particles such as muons, pions, hyperons, deuterons, tritons and alphas by changing the particle mass, charge and range at 2 MeV. 2 - Method of solution: Stopping power is calculated from the Bethe-Bloch equation with shell and density corrections included. Range is calculated by integrating the reciprocal of the stopping power from an initial value at 2 MeV. The K-shell correction is taken from Walske's data. The L-shell and higher shell corrections are adjusted to fit low energy measurements fro 30 elements. The density correction is calculated by a method similar to that of Sternheimer, differing chiefly in the large number of electron shells considered. LRSPC computes improved proton range and stopping power data for use in the proton penetration code, LPPC (CCC-0051). It is packages separately and may be requested independently. 3 - Restrictions on the complexity of the problem: Number of elements in mixture ≤ 10, Atomic number of element ≤ 100, Number of energy points ≤ 500

  13. Energy Deficit Required for Rapid Weight Loss in Elite Collegiate Wrestlers.

    Science.gov (United States)

    Kondo, Emi; Sagayama, Hiroyuki; Yamada, Yosuke; Shiose, Keisuke; Osawa, Takuya; Motonaga, Keiko; Ouchi, Shiori; Kamei, Akiko; Nakajima, Kohei; Higaki, Yasuki; Tanaka, Hiroaki; Takahashi, Hideyuki; Okamura, Koji

    2018-04-26

    To determine energy density for rapid weight loss (RWL) of weight-classified sports, eight male elite wrestlers were instructed to lose 6% of body mass (BM) within 53 h. Energy deficit during the RWL was calculated by subtracting total energy expenditure (TEE) determined using the doubly labeled water method (DLW) from energy intake (EI) assessed with diet records. It was also estimated from body composition change estimated with the four-component model (4C) and other conventional methods. BM decreased significantly by 4.7 ± 0.5 kg (6.4 ± 0.5%). Total body water loss was the major component of the BM loss (71.0 ± 7.6%). TEE was 9446 ± 1422 kcal, and EI was 2366 ± 1184 kcal during the RWL of 53-h; therefore, the energy deficit was 7080 ± 1525 kcal. Thus, energy density was 1507 ± 279 kcal/kg ∆BM during the RWL, comparable with values obtained using the 4C, three-component model, dual energy X-ray absorptiometry, and stable isotope dilution. Energy density for RWL of wrestlers is lower than that commonly used (7400 or 7700 kcal/kg ΔBM). Although RWL is not recommended, we propose that commonly practiced extreme energy restriction such as 7400 or 7700 kcal/kg ΔBM during RWL appears to be meaningless.

  14. Energy Deficit Required for Rapid Weight Loss in Elite Collegiate Wrestlers

    Directory of Open Access Journals (Sweden)

    Emi Kondo

    2018-04-01

    Full Text Available To determine energy density for rapid weight loss (RWL of weight-classified sports, eight male elite wrestlers were instructed to lose 6% of body mass (BM within 53 h. Energy deficit during the RWL was calculated by subtracting total energy expenditure (TEE determined using the doubly labeled water method (DLW from energy intake (EI assessed with diet records. It was also estimated from body composition change estimated with the four-component model (4C and other conventional methods. BM decreased significantly by 4.7 ± 0.5 kg (6.4 ± 0.5%. Total body water loss was the major component of the BM loss (71.0 ± 7.6%. TEE was 9446 ± 1422 kcal, and EI was 2366 ± 1184 kcal during the RWL of 53-h; therefore, the energy deficit was 7080 ± 1525 kcal. Thus, energy density was 1507 ± 279 kcal/kg ∆BM during the RWL, comparable with values obtained using the 4C, three-component model, dual energy X-ray absorptiometry, and stable isotope dilution. Energy density for RWL of wrestlers is lower than that commonly used (7400 or 7700 kcal/kg ΔBM. Although RWL is not recommended, we propose that commonly practiced extreme energy restriction such as 7400 or 7700 kcal/kg ΔBM during RWL appears to be meaningless.

  15. Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

    Science.gov (United States)

    Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

    2016-04-01

    We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

  16. Measurements of distributions of energy loss for 51, 102 and 153 keV protons in nine hydrocarbon gases

    International Nuclear Information System (INIS)

    Thorngate, J.H.

    1976-01-01

    The mean energies, second central moments (a measure of the width of the energy-loss distributions) and the third central moments (a measure of asymmetry) were calculated from energy-loss distributions measured for 51, 102 and 153 keV protons traversing methane, ethyne, ethene, ethane, propyne, propadiene, propene, cyclopropane and propane. For the second central moments, the best, but hardly satisfactory, agreement between measurement and theory was obtained when the classical scattering probability was used for the calculations; measured values exceeding calculated values by as much as 40%. Use of the first Born approximation gave values 20-50% below measured values. Measured third central moments exceeded theoretical values by 10-250%. (Auth.)

  17. Applications of energy loss contrast STIM

    International Nuclear Information System (INIS)

    Bench, G.; Saint, A.; Legge, G.J.F.; Cholewa, M.

    1992-01-01

    Scanning Transmission Ion Microscopy (STIM) with energy loss contrast is a quantitative imaging technique. A focussed MeV ion microbeam is scanned over the sample and measured energy losses of residual ions at each beam location are used to provide the contrast in the image. The technique is highly efficient as almost every ion carries useful information from which quantitative data can be obtained. The high efficiency of data collection at present necessitates the use of small beam currents. Therefore small apertures can be used and fine spatial resolution can be achieved. High efficiency also makes it possible to collect large data sets for high definition imaging with a small radiation dose. Owing to the simple relationship between energy loss and areal density, STIM with energy loss contrast can provide a quantitative image that can be used to obtain areal density information on the sample. These areal density maps can be used not only to provide a high resolution image of the sample but also to normalise Particle Induced Xray Emission (PIXE) data. The small radiation dose required to form these areal density maps also allows one to use STIM with energy loss contrast to quantitatively monitor ion beam induced specimen changes caused by higher doses and dose rates used in other microanalytical techniques. STIM with energy loss contrast also provides the possibility of stereo imaging and ion microtomography. STIM has also been used in conjunction with channeling to explore transmission channeling in thin crystals. This paper will discuss these applications of STIM with energy loss contrast and look at further developments from them

  18. Mathematical modelling of frequency-dependent hysteresis and energy loss of FeBSiC amorphous alloy

    International Nuclear Information System (INIS)

    Koprivica, Branko; Milovanovic, Alenka; Mitrovic, Nebojsa

    2017-01-01

    The aim of this paper is to present a novel mathematical model of frequency-dependent magnetic hysteresis. The major hysteresis loop in this model is represented by the ascending and descending curve over an arctangent function. The parameters of the hysteresis model have been calculated from a measured hysteresis loop of the FeBSiC amorphous alloy sample. A number of measurements have been performed with this sample at different frequencies of the sinusoidal excitation magnetic field. A variation of the coercive magnetic field with the frequency has been observed and used in the modelling of frequency-dependent hysteresis with the proposed model. A comparison between measured and modelled hysteresis loops has been presented. Additionally, the areas of the obtained hysteresis loops, representing the energy loss per unit volume, have been calculated and the dependence of the energy loss on the frequency is shown. Furthermore, two models of the frequency dependence of the coercivity and two models of the energy loss separation have been used for fitting the experimental and simulation results. The relations between these models and their parameters have been observed and analysed. Also, the relations between parameters of the hysteresis model and the parameters of the energy loss separation models have been analysed and discussed. - Highlights: • A mathematical model of frequency-dependent hysteresis is proposed. • Dependence of coercivity and energy loss per unit volume on frequency is modelled. • Equivalence between models and relation between model parameters are presented.

  19. World offshore energy loss statistics

    International Nuclear Information System (INIS)

    Kaiser, Mark J.

    2007-01-01

    Offshore operations present a unique set of environmental conditions and adverse exposure not observed in a land environment taking place in a confined space in a hostile environment under the constant danger of catastrophe and loss. It is possible to engineer some risks to a very low threshold of probability, but losses and unforeseen events can never be entirely eliminated because of cost considerations, the human factor, and environmental uncertainty. Risk events occur infrequently but have the potential of generating large losses, as evident by the 2005 hurricane season in the Gulf of Mexico, which was the most destructive and costliest natural disaster in the history of offshore production. The purpose of this paper is to provide a statistical assessment of energy losses in offshore basins using the Willis Energy Loss database. A description of the loss categories and causes of property damage are provided, followed by a statistical assessment of damage and loss broken out by region, cause, and loss category for the time horizon 1970-2004. The impact of the 2004-2005 hurricane season in the Gulf of Mexico is summarized

  20. New approach to energy loss measurements

    CERN Document Server

    Trzaska, W H; Alanko, T; Mutterer, M; Raeisaenen, J; Tjurin, G; Wojdyr, M

    2002-01-01

    A new approach to energy loss measurements is proposed. In the same experiment electronic stopping force (power) in gold, nickel, carbon, polycarbonate and Havar for sup 4 sup 0 Ar, sup 2 sup 8 Si, sup 1 sup 6 O, sup 4 He and sup 1 H ions in the energy range 0.12-11 MeV/u has been measured. In this paper we give the full results for gold, nickel, and carbon and for sup 4 sup 0 Ar, sup 1 sup 6 O, sup 4 He and sup 1 H ions. Good agreement of the measured stopping force values for light ions with literature data is interpreted as the positive test of the experimental technique. The same technique used with heavy ions yields agreement with the published data only for energies above 1 MeV/u. At lower energies we observe progressively increasing discrepancy. This discrepancy is removed completely as soon as we neglect pulse height defect compensation. This observation makes us believe that the majority of the published results as well as semi-empirical calculations based on them (like the popular SRIM) may be in er...

  1. 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)

  2. Equilibration Influence on Jet Energy Loss

    International Nuclear Information System (INIS)

    Cheng Luan; Wang Enke

    2010-01-01

    With the initial conditions in the chemical non-equilibrated medium and Bjorken expanding medium at RHIC, we investigate the consequence for parton evolution. With considering the parton equilibration, we obtain the time dependence of the opacity when the jet propagates through the QGP medium. The parton equilibration affect the jet energy loss with detailed balance evidently. Both parton energy loss from stimulated emission in the chemical non-equilibrated expanding medium and in Bjorken expanding medium are linear dependent on the propagating distance rather than square dependent in the static medium. This will increase the energy and propagating distance dependence of the parton energy loss.

  3. Holographic energy loss in non-relativistic backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Atashi, Mahdi; Fadafan, Kazem Bitaghsir; Farahbodnia, Mitra [Shahrood University of Technology, Physics Department, P.O. Box 3619995161, Shahrood (Iran, Islamic Republic of)

    2017-03-15

    In this paper, we study some aspects of energy loss in non-relativistic theories from holography. We analyze the energy lost by a rotating heavy point particle along a circle of radius l with angular velocity ω in theories with general dynamical exponent z and hyperscaling violation exponent θ. It is shown that this problem provides a novel perspective on the energy loss in such theories. A general computation at zero and finite temperature is done and it is shown how the total energy loss rate depends non-trivially on two characteristic exponents (z,θ). We find that at zero temperature there is a special radius l{sub c} where the energy loss is independent of different values of (θ,z). Also at zero temperature, there is a crossover between a regime in which the energy loss is dominated by the linear drag force and by the radiation because of the acceleration of the rotating particle. We find that the energy loss of the particle decreases by increasing θ and z. We note that, unlike in the zero temperature, there is no special radius l{sub c} at finite temperature case. (orig.)

  4. Mode and climatic factors effect on energy losses in transient heat modes of transmission lines

    Science.gov (United States)

    Bigun, A. Ya; Sidorov, O. A.; Osipov, D. S.; Girshin, S. S.; Goryunov, V. N.; Petrova, E. V.

    2018-01-01

    Electrical energy losses increase in modern grids. The losses are connected with an increase in consumption. Existing models of electric power losses estimation considering climatic factors do not allow estimating the cable temperature in real time. Considering weather and mode factors in real time allows to meet effectively and safely the consumer’s needs to minimize energy losses during transmission, to use electric power equipment effectively. These factors increase an interest in the evaluation of the dynamic thermal mode of overhead transmission lines conductors. The article discusses an approximate analytic solution of the heat balance equation in the transient operation mode of overhead lines based on the least squares method. The accuracy of the results obtained is comparable with the results of solving the heat balance equation of transient thermal mode with the Runge-Kutt method. The analysis of mode and climatic factors effect on the cable temperature in a dynamic thermal mode is presented. The calculation of the maximum permissible current for variation of weather conditions is made. The average electric energy losses during the transient process are calculated with the change of wind, air temperature and solar radiation. The parameters having the greatest effect on the transmission capacity are identified.

  5. On FEL integral equation and electron energy loss in intermediate gain regime

    International Nuclear Information System (INIS)

    Takao, Masaru

    1994-03-01

    The FEL pendulum equation in a intermediate gain small signal regime is investigated. By calculating the energy loss of the electron beam in terms of the solution of the pendulum equation, we confirm the consistency of the FEL equation in intermediate gain regime. (author)

  6. Energy loss of carbon transmitted 1-MeV H2+ ions

    International Nuclear Information System (INIS)

    Fritz, M.; Kimura, K.; Susuki, Y.; Mannami, M.

    1994-01-01

    Energy losses of 1-MeV H 2 + ions passing through carbon foils of 2-8 μg/cm 2 thickness have been measured and show besides the linear increase with target thickness a 0.4 keV offset. The stopping power derived from the observed energy losses is 1.15 times as large as the sum of the stopping powers for two single H + of the same velocity. Calculations of the stopping powers for H 2 + ions and diprotons, using first Born approximation, indicate that the H 2 + ions lose the binding electron upon entrance into the foil, traverse the target as diprotons and recapture target electrons at the exit surface, a scenario also supported by the 0.4 keV offset at zero thickness. (author)

  7. Electron energy-loss spectroscopy of quasi-one-dimensional cuprates and vanadates

    International Nuclear Information System (INIS)

    Atzkern, S.

    2001-01-01

    In a combination of experimental and theoretical methods in this thesis the electronic structures of quasi-one-dimensional cuprates and vanadates were studied. For this the momentum-dependent loss function was measured by means of the electron energy-loss spectroscopy in transmission on monocrystals of Li 2 CuO 2 , CuGeO 3 , V 2 O 5 and α'-NaVO 5 . The comparison of the experimental data with results from band-structure and cluster calculations allowed conclusions on the mobility and correlations of the electrons in these systems

  8. A numerically research on energy loss evaluation in a centrifugal pump system based on local entropy production method

    Directory of Open Access Journals (Sweden)

    Hou Hucan

    2017-01-01

    Full Text Available Inspired by wide application of the second law of thermodynamics to flow and heat transfer devices, local entropy production analysis method was creatively introduced into energy assessment system of centrifugal water pump. Based on Reynolds stress turbulent model and energy equation model, the steady numerical simulation of the whole flow passage of one IS centrifugal pump was carried out. The local entropy production terms were calculated by user defined functions, mainly including wall entropy production, turbulent entropy production, and viscous entropy production. The numerical results indicated that the irreversible energy loss calculated by the local entropy production method agreed well with that calculated by the traditional method but with some deviations which were probably caused by high rotatability and high curvature of impeller and volute. The wall entropy production and turbulent entropy production took up large part of the whole entropy production about 48.61% and 47.91%, respectively, which indicated that wall friction and turbulent fluctuation were the major factors in affecting irreversible energy loss. Meanwhile, the entropy production rate distribution was discussed and compared with turbulent kinetic energy dissipation rate distribution, it showed that turbulent entropy production rate increased sharply at the near wall regions and both distributed more uniformly. The blade region in leading edge near suction side, trailing edge and volute tongue were the main regions to generate irreversible exergy loss. This research broadens a completely new view in evaluating energy loss and further optimizes pump using entropy production minimization.

  9. Heavy quark energy loss in nuclear medium

    International Nuclear Information System (INIS)

    Zhang, Benr-Wei; Wang, Enke; Wang, Xin-Nian

    2003-01-01

    Multiple scattering, modified fragmentation functions and radiative energy loss of a heavy quark propagating in a nuclear medium are investigated in perturbative QCD. Because of the quark mass dependence of the gluon formation time, the medium size dependence of heavy quark energy loss is found to change from a linear to a quadratic form when the initial energy and momentum scale are increased relative to the quark mass. The radiative energy loss is also significantly suppressed relative to a light quark due to the suppression of collinear gluon emission by a heavy quark

  10. Energy loss effect in high energy nuclear Drell-Yan process

    International Nuclear Information System (INIS)

    Duan, C.G.; Song, L.H.; Huo, L.J.; Li, G.L.

    2003-01-01

    The energy loss effect in nuclear matter, which is a nuclear effect apart from the nuclear effect on the parton distribution as in deep-inelastic scattering process, can be measured best by the nuclear dependence of the high energy nuclear Drell-Yan process. By means of the nuclear parton distribution studied only with lepton deep-inelastic scattering experimental data, the measured Drell-Yan production cross sections for 800 GeV proton incident on a variety of nuclear targets are analyzed within the Glauber framework which takes into account the energy loss of the beam proton. It is shown that the theoretical results with considering the energy loss effect are in good agreement with the FNAL E866 data. (orig.)

  11. Extended defect related energy loss in CVD diamond revealed by spectrum imaging in a dedicated STEM

    International Nuclear Information System (INIS)

    Bangert, U.; Harvey, A.J.; Schreck, M.; Hoermann, F.

    2005-01-01

    This article aims at investigations of the low EEL region in the wide band gap system diamond. The advent of the UHV Enfina electron energy loss spectrometer combined with Digital Micrograph acquisition and processing software has made reliable detection of absorption losses below 10 eV possible. Incorporated into a dedicated STEM this instrumentation allows the acquisition of spectral information via spectrum maps (spectrum imaging) of sample areas hundreds of nanometers across, with nanometers pixel sizes, adequate spectrum statistics and 0.3 eV energy resolution, in direct correlation with microstructural features in the mapping area. We aim at discerning defect related losses at band gap energies, and discuss different routes to simultaneously process and analyse the spectra in a map. This involves extracting the zero loss peak from each spectrum and constructing ratio maps from the intensities in two energy windows, one defect related and one at a higher, crystal bandstructure dominated energy. This was applied to the residual spectrum maps and their first derivatives. Secondly, guided by theoretical EEL spectra calculations, the low loss spectra were fitted by a series of gaussian distributions. Pixel maps were constructed from amplitude ratios of gaussians, situated in the defect and the unaffected energy regime. The results demonstrate the existence of sp 2 -bonded carbon in the vicinity of stacking faults and partial dislocations in CVD diamond as well as additional states below conduction band, tailing deep into the band gap, at a node in a perfect dislocation. Calculated EEL spectra of shuffle dislocations give similar absorption features at 5-8 eV, and it is thought that this common feature is due to sp 2 -type bonding

  12. Precise measurements of energy loss straggling for swift heavy ions in polymers

    Energy Technology Data Exchange (ETDEWEB)

    Rani, Bindu [Department of Physics, Kurukshetra University, Kurukshetra 136 119 (India); Neetu [Department of Physics, S.D College, Panipat 132103 (India); Sharma, Kalpana [Department of Physics, CMR Institute of Technology, Bangalore 560037 (India); Diwan, P.K. [Department of Applied Sciences, UIET, Kurukshetra University, Kurukshetra 136 119 (India); Kumar, Shyam, E-mail: profshyam@gmail.com [Department of Physics, Kurukshetra University, Kurukshetra 136 119 (India)

    2016-11-15

    The energy loss straggling measurements for heavy ions with Z = 3–22 (∼0.2–2.5 MeV/u) in PEN (C{sub 7}H{sub 5}O{sub 2}) and PET (C{sub 10}H{sub 8}O{sub 4}) polymers have been carried out utilizing the swift heavy ion beam facility from 15UD Pelletron accelerator at Inter University Accelerator Centre (IUAC), New Delhi, India. The recorded spectra are analyzed in such a way that the Straggling associated with energy loss process could be measured in a systematic manner at any selected value of energy, in terms of per unit thickness of the absorber, at any desired energy intervals. The measured values have been compared with the calculated values obtained from the most commonly used Bethe-Livingston formulations applicable for collisional straggling. The results are tried to be understood in terms of the effective charge on the impinging ion within the absorber. Some interesting trends are observed.

  13. Precise measurements of energy loss straggling for swift heavy ions in polymers

    Science.gov (United States)

    Rani, Bindu; Neetu; Sharma, Kalpana; Diwan, P. K.; Kumar, Shyam

    2016-11-01

    The energy loss straggling measurements for heavy ions with Z = 3-22 (∼0.2-2.5 MeV/u) in PEN (C7H5O2) and PET (C10H8O4) polymers have been carried out utilizing the swift heavy ion beam facility from 15UD Pelletron accelerator at Inter University Accelerator Centre (IUAC), New Delhi, India. The recorded spectra are analyzed in such a way that the Straggling associated with energy loss process could be measured in a systematic manner at any selected value of energy, in terms of per unit thickness of the absorber, at any desired energy intervals. The measured values have been compared with the calculated values obtained from the most commonly used Bethe-Livingston formulations applicable for collisional straggling. The results are tried to be understood in terms of the effective charge on the impinging ion within the absorber. Some interesting trends are observed.

  14. Energy-dependent losses in pulsed-feedback preamplifiers

    International Nuclear Information System (INIS)

    Landis, D.A.; Madden, N.W.; Goulding, F.S.

    1978-11-01

    Energy dependent counting losses occur in most pulsed-feedback preamplifiers due to the loss of those pulses which activate the recharge system. A pulsed-feedback system that overcomes this inefficiency is described. Pulsed-light feedback as used with germanium gamma-ray spectrometers is discussed as used at high energies and high rates where those losses become significant. Experimental results are presented

  15. Electron energy-loss spectra in molecular fluorine

    Science.gov (United States)

    Nishimura, H.; Cartwright, D. C.; Trajmar, S.

    1979-01-01

    Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.

  16. Landfill Gas Energy Benefits Calculator

    Science.gov (United States)

    This page contains the LFG Energy Benefits Calculator to estimate direct, avoided, and total greenhouse gas reductions, as well as environmental and energy benefits, for a landfill gas energy project.

  17. Relativistic energy loss in a dispersive medium

    DEFF Research Database (Denmark)

    Houlrik, Jens Madsen

    2002-01-01

    The electron energy loss in a dispersive medium is obtained using macroscopic electrodynamics taking advantage of a static frame of reference. Relativistic corrections are described in terms of a dispersive Lorentz factor obtained by replacing the vacuum velocity c by the characteristic phase...... velocity c/n, where n is the complex index of refraction. The angle-resolved energy-loss spectrum of a Drude conductor is analyzed in detail and it is shown that the low-energy peak due to Ohmic losses is enhanced compared to the classical approximation....

  18. Electronic energy loss of low velocity H+ beams in Al, Ag, Sb, Au and Bi

    International Nuclear Information System (INIS)

    Valdes, J.E.; Martinez Tamayo, G.; Lantschner, G.H.; Eckardt, J.C.; Arista, N.R.

    1993-01-01

    The energy loss of H + ions in thin polycrystalline Al, Sb, Ag, Au and Bi films has been determined in the energy range below 10 keV. This low-energy range is of special interest to fill a lack of low-energy experimental data and test various theoretical predictions and semiempirical formulas. We find that the general theoretical prediction of a velocity-proportional dependence of energy loss does not hold for all targets studied in this work. The velocity-proportionality is better satisfied for Al, Sb and Bi, whereas a departure from such dependence is observed at lower energies for Ag and Au targets. The results obtained here are in good general agreement with nonlinear stopping power calculations based on density functional theory. Comparison with semiempirical predictions, and other experimental results are also done. (orig.)

  19. Effects of target electron collisions on energy loss straggling in plasmas of all degeneracies

    Energy Technology Data Exchange (ETDEWEB)

    Barriga Carrasco, Manuel D. [E.T.S.I. Industriales, Universisdad de Castilla La Mancha, Ciudad Real E13071 (Spain)]. E-mail: ManuelD.Barriga@uclm.es

    2007-07-01

    The purpose of the present paper is to describe the effects of target electron collisions on the energy loss straggling in plasmas of any degeneracy. We focus our analysis on targets that are in the limit of weakly coupled electron gases, where the random phase approximation can be applied. This type of plasmas targets has not been studied extensively, though they are very important for inertial confinement fusion. The energy loss straggling is obtained from an exact quantum mechanical evaluation, which takes into account the degeneracy of the target plasma, and later it is compared with common classical and degenerate approximations. Also we consider electron collisions in the exact quantum mechanical straggling calculation. Now the maximum straggling occurs at velocities smaller than for the calculations without considering collisions for all kinds of plasmas analyzed. The straggling remains equal or enhances for velocities less than or equal to the velocity at maximum while is slightly decreases for higher velocities. Differences are significant in all cases, that can let large errors creep on in further energy deposition and projectile range studies.

  20. Effects of target electron collisions on energy loss straggling in plasmas of all degeneracies

    International Nuclear Information System (INIS)

    Barriga Carrasco, Manuel D.

    2007-01-01

    The purpose of the present paper is to describe the effects of target electron collisions on the energy loss straggling in plasmas of any degeneracy. We focus our analysis on targets that are in the limit of weakly coupled electron gases, where the random phase approximation can be applied. This type of plasmas targets has not been studied extensively, though they are very important for inertial confinement fusion. The energy loss straggling is obtained from an exact quantum mechanical evaluation, which takes into account the degeneracy of the target plasma, and later it is compared with common classical and degenerate approximations. Also we consider electron collisions in the exact quantum mechanical straggling calculation. Now the maximum straggling occurs at velocities smaller than for the calculations without considering collisions for all kinds of plasmas analyzed. The straggling remains equal or enhances for velocities less than or equal to the velocity at maximum while is slightly decreases for higher velocities. Differences are significant in all cases, that can let large errors creep on in further energy deposition and projectile range studies

  1. Characteristic losses of electrons energy under reflection from leadsilicate glasses

    International Nuclear Information System (INIS)

    Gusarov, A.I.; Mashkov, V.A.; Pronin, V.P.; Tyutikov, A.M.

    1986-01-01

    The spectra of characteristic losses of energy (CLE) for the case of electron reflection from the surface of leadsilicate glasses of the composition xPbOx(1-x)SiO 2 , depending on molar concentration of lead oxide x, has been calculated for the first time. It is shown that the given model of glass energy structure permits to describe correctly general behaviour of CLE spectrum. However, the energy of plasma maximum measured experimentally remains approximately constant. The behaviour can be conditioned by ω 0 dependence on x[4], which has not been taken into account, and (or) by a slower change in ΔE, than it has been assumed. Further refining of theory and experiment is required to solve the problem

  2. Calculation of molecular free energies in classical potentials

    International Nuclear Information System (INIS)

    Farhi, Asaf; Singh, Bipin

    2016-01-01

    Free energies of molecules can be calculated by quantum chemistry computations or by normal mode classical calculations. However, the first can be computationally impractical for large molecules and the second is based on the assumption of harmonic dynamics. We present a novel, accurate and complete calculation of molecular free energies in standard classical potentials. In this method we transform the molecule by relaxing potential terms which depend on the coordinates of a group of atoms in that molecule and calculate the free energy difference associated with the transformation. Then, since the transformed molecule can be treated as non-interacting systems, the free energy associated with these atoms is analytically or numerically calculated. This two-step calculation can be applied to calculate free energies of molecules or free energy difference between (possibly large) molecules in a general environment. We demonstrate the method in free energy calculations for methanethiol and butane molecules in vacuum and solvent. We suggest the potential application of free energy calculation of chemical reactions in classical molecular simulations. (paper)

  3. Strong-coupling jet energy loss from AdS/CFT

    Science.gov (United States)

    Morad, R.; Horowitz, W. A.

    2014-11-01

    We propose a novel definition of a holographic light hadron jet and consider the phenomenological consequences, including the very first fully self-consistent, completely strong-coupling calculation of the jet nuclear modification factor R AA, which we find compares surprisingly well with recent preliminary data from LHC. We show that the thermalization distance for light parton jets is an extremely sensitive function of the a priori unspecified string initial conditions and that worldsheets corresponding to non-asymptotic energy jets are not well approximated by a collection of null geodesics. Our new string jet prescription, which is defined by a separation of scales from plasma to jet, leads to the re-emergence of the late-time Bragg peak in the instantaneous jet energy loss rate; unlike heavy quarks, the energy loss rate is unusually sensitive to the very definition of the string theory object itself. A straightforward application of the new jet definition leads to significant jet quenching, even in the absence of plasma. By renormalizing the in-medium suppression by that in the vacuum we find qualitative agreement with preliminary CMS RAAjet >( p T) data in our simple plasma brick model. We close with comments on our results and an outlook on future work.

  4. Performance of the electron energy-loss spectrometer

    International Nuclear Information System (INIS)

    Tanaka, H.; Huebner, R.H.

    1977-01-01

    Performance characteristics of the electron energy-loss spectrometer incorporating a new high-resolution hemispherical monochromator are reported. The apparatus achieved an energy-resolution of 25 meV in the elastic scattering mode, and angular distributions of elastically scattered electrons were in excellent agreement with previous workers. Preliminary energy-loss spectra for several atmospheric gases demonstrate the excellent versatility and stable operation of the improved system. 12 references

  5. Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

    Energy Technology Data Exchange (ETDEWEB)

    Oxley, M. P.; Kapetanakis, M. D.; Prange, Micah P.; Varela, M.; Pennycook, Stephen J.; Pantelides, Sokrates T.

    2014-03-31

    We present a theoretical framework for calculating probe-position-dependent electron energy-loss near-edge structure for the scanning transmission electron microscope by combining density functional theory with dynamical scattering theory. We show how simpler approaches to calculating near-edge structure fail to include the fundamental physics needed to understand the evolution of near-edge structure as a function of probe position and investigate the dependence of near-edge structure on probe size. It is within this framework that density functional theory should be presented, in order to ensure that variations of near-edge structure are truly due to local electronic structure and how much from the diffraction and focusing of the electron beam.

  6. Energy loss of pions and electrons of 1 to 6 GeV/c in drift chambers operated with Xe,CO2(15\\%)

    CERN Document Server

    Andronic, A; Braun-Munzinger, P; Bucher, D; Busch, O; Catanescu, V; Ciobanu, M; Daues, H W; Emschermann, D; Fateev, O V; Foka, Y; Garabatos, C; Gunji, T; Herrmann, N; Inuzuka, M; Kislov, E; Lindenstruth, V; Ludolphs, W; Mahmoud, T; Petracek, V; Petrovici, M; Rusanov, I R; Sandoval, A; Santo, R; Schicker, R; Simon, R S; Smykov, L P; Soltveit, H K; Stachel, J; Stelzer, H; Tsiledakis, G; Vulpescu, B; Wessels, J P; Windelband, B; Xu, C; Zaudtke, O; Zanevsky, Yu; Yurevich, V

    2004-01-01

    We present measurements of the energy loss of pions and electrons in drift chambers operated with a Xe,CO2(15%) mixture. The measurements are carried out for particle momenta from 1 to 6 GeV/c using prototype drift chambers for the ALICE TRD. Microscopic calculations are performed using input parameters calculated with GEANT3. These calculations reproduce well the measured average and most probable values for pions, but a higher Fermi plateau is required in order to reproduce our electron data. The widths of the measured distributions are smaller for data compared to the calculations. The electron/pion identification performance using the energy loss is also presented.

  7. The energy cost of quantum information losses

    Science.gov (United States)

    Romanelli, Alejandro; de Lima Marquezino, Franklin; Portugal, Renato; Donangelo, Raul

    2018-05-01

    We explore the energy cost of the information loss resulting from the passage of an initial density operator to a reduced one. We use the concept of entanglement temperature in order to obtain a lower bound for the energy change associated with this operation. We determine the minimal energy required for the case of the information losses associated with the trace over the space coordinates of a two-dimensional quantum walk.

  8. Measurement of {alpha} particle energy loss in biological tissue below 2 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Stella, S. [Department of Nuclear and Theoretical Physics, University of Pavia, Pavia (Italy); National Institute of Nuclear Physics (INFN), Pavia (Italy); Bortolussi, S. [Department of Nuclear and Theoretical Physics, University of Pavia, Pavia (Italy); National Institute of Nuclear Physics (INFN), Pavia (Italy)], E-mail: silva.bortolussi@pv.infn.it; Bruschi, P.; Portella, C. [Department of Nuclear and Theoretical Physics, University of Pavia, Pavia (Italy); Altieri, S. [Department of Nuclear and Theoretical Physics, University of Pavia, Pavia (Italy); National Institute of Nuclear Physics (INFN), Pavia (Italy)

    2009-09-01

    The energy loss of {alpha} particles crossing biological tissue at energies between 0.8 and 2.2 MeV has been measured. This energy range is very important for boron neutron capture therapy, based on the {sup 10}B(n,{alpha}){sup 7}Li reaction, which emits {alpha} particles with energies of 1.78 and 1.47 MeV. One of the methods used for the measurement of the boron concentration in tissue is based on the deconvolution of the {alpha} spectra obtained from neutron irradiation of thin (70 {mu}m) tissue samples. For this technique, a knowledge of the behaviour of the energy loss of the particles in the irradiated tissue is of critical importance. In particular, the curve of the residual energy as a function of the distance travelled in the tissue must be known. In this paper, the results of an experiment carried out with an {sup 241}Am source and a series of cryostatic sections of rat-lung tissue are presented. The experimental measurements are compared with the results of Monte Carlo calculations performed with the MCNPX code.

  9. Perturbation of the energy loss spectra for an accelerated electron beam due to the photo injector exit

    CERN Document Server

    Salah, W

    2003-01-01

    The influence of the photo-injector exit hall on the energy loss for an accelerated electron beam is investigated, by calculating the total energy transferred from the electrons to the wakefields, which are driven by the beam. The obtained energy loss is compared to those previously obtained for a 'pill-box' cavity. This comparison shows that the influence of this hall, in terms of energy loss, varies over the beam length. It is strongest in the middle of the beam and decreases towards both ends. In consequence of this perturbation, the center of the beam is displaced from its initial position during the first phase (t < 200 ps) where the exit aperture has no effect to a new equilibrium position which takes place at 200 < t < 250 ps. (author)

  10. Good Practices in Free-energy Calculations

    Science.gov (United States)

    Pohorille, Andrew; Jarzynski, Christopher; Chipot, Christopher

    2013-01-01

    As access to computational resources continues to increase, free-energy calculations have emerged as a powerful tool that can play a predictive role in drug design. Yet, in a number of instances, the reliability of these calculations can be improved significantly if a number of precepts, or good practices are followed. For the most part, the theory upon which these good practices rely has been known for many years, but often overlooked, or simply ignored. In other cases, the theoretical developments are too recent for their potential to be fully grasped and merged into popular platforms for the computation of free-energy differences. The current best practices for carrying out free-energy calculations will be reviewed demonstrating that, at little to no additional cost, free-energy estimates could be markedly improved and bounded by meaningful error estimates. In energy perturbation and nonequilibrium work methods, monitoring the probability distributions that underlie the transformation between the states of interest, performing the calculation bidirectionally, stratifying the reaction pathway and choosing the most appropriate paradigms and algorithms for transforming between states offer significant gains in both accuracy and precision. In thermodynamic integration and probability distribution (histogramming) methods, properly designed adaptive techniques yield nearly uniform sampling of the relevant degrees of freedom and, by doing so, could markedly improve efficiency and accuracy of free energy calculations without incurring any additional computational expense.

  11. Infrared thermography applied to the evaluation of metabolic heat loss of chicks fed with different energy densities

    Directory of Open Access Journals (Sweden)

    VMOS Ferreira

    2011-06-01

    Full Text Available Brazil must comply with international quality standards and animal welfare requirements in order to maintain its position as world's largest exporter of poultry meat. With the scenario of global climate change there is the forecast of occurrence of extreme events with characteristics of both excess cold and heat for several regions of the country. This study aimed to evaluate the effectiveness of using images of infrared thermography to evaluate the loss of sensible heat in young broilers fed different dietary energy levels. Twenty birds were reared in a house with appropriate brooding using infrared lamps. Birds were distributed in a completely randomized experimental into two treatments: T1 (control diet with 2950 kcal ME/kg-1, and T2 (high-energy diet with 3950 kcal ME/kg-1. Infrared thermographic images of the birds were recorded for four consecutive days. One bird was randomly chosen per treatment, and had special images taken and analyzed. Average surface temperature of the body area was calculated using the surface temperature recorded at 100 spots (50 at the front and 50 at the lateral side of the bird's body. Mean surface temperature of the flock was calculated recording 100 spots on the group of birds. Total radiant heat loss was calculated based on the average data of surface temperature. The results indicated that the young broilers fed the high-energy diet presented a metabolic energy loss equivalent to 0.64 kcal h-1, while the birds fed with the control diet lost 2.18 kcal h-1. This finding confirms that oil supplementation to the diet reduces bird heat loss. The infrared camera was able to record young broilers' surface temperature variation when birds were fed diets with different energy contents.

  12. Intermittent Moderate Energy Restriction Improves Weight Loss Efficiency in Diet-Induced Obese Mice.

    Directory of Open Access Journals (Sweden)

    Radhika V Seimon

    Full Text Available Intermittent severe energy restriction is popular for weight management. To investigate whether intermittent moderate energy restriction may improve this approach by enhancing weight loss efficiency, we conducted a study in mice, where energy intake can be controlled.Male C57/Bl6 mice that had been rendered obese by an ad libitum diet high in fat and sugar for 22 weeks were then fed one of two energy-restricted normal chow diets for a 12-week weight loss phase. The continuous diet (CD provided 82% of the energy intake of age-matched ad libitum chow-fed controls. The intermittent diet (ID provided cycles of 82% of control intake for 5-6 consecutive days, and ad libitum intake for 1-3 days. Weight loss efficiency during this phase was calculated as (total weight change ÷ [(total energy intake of mice on CD or ID-(total average energy intake of controls]. Subsets of mice then underwent a 3-week weight regain phase involving ad libitum re-feeding.Mice on the ID showed transient hyperphagia relative to controls during each 1-3-day ad libitum feeding period, and overall ate significantly more than CD mice (91.1±1.0 versus 82.2±0.5% of control intake respectively, n = 10, P<0.05. There were no significant differences between CD and ID groups at the end of the weight loss or weight regain phases with respect to body weight, fat mass, circulating glucose or insulin concentrations, or the insulin resistance index. Weight loss efficiency was significantly greater with ID than with CD (0.042±0.007 versus 0.018±0.001 g/kJ, n = 10, P<0.01. Mice on the CD exhibited significantly greater hypothalamic mRNA expression of proopiomelanocortin (POMC relative to ID and control mice, with no differences in neuropeptide Y or agouti-related peptide mRNA expression between energy-restricted groups.Intermittent moderate energy restriction may offer an advantage over continuous moderate energy restriction, because it induces significantly greater weight loss relative

  13. Phonon spectrum of single-crystalline FeSe probed by high-resolution electron energy-loss spectroscopy

    Science.gov (United States)

    Zakeri, Khalil; Engelhardt, Tobias; Le Tacon, Matthieu; Wolf, Thomas

    2018-06-01

    Utilizing high-resolution electron energy-loss spectroscopy (HREELS) we measure the phonon frequencies of β-FeSe(001), cleaved under ultra-high vacuum conditions. At the zone center (Γ bar-point) three prominent loss features are observed at loss energies of about ≃ 20.5 and 25.6 and 40 meV. Based on the scattering selection rules we assign the observed loss features to the A1g, B1g, and A2u phonon modes of β-FeSe(001). The experimentally measured phonon frequencies do not agree with the results of density functional based calculations in which a nonmagnetic, a checkerboard or a strip antiferromagnetic order is assumed for β-FeSe(001). Our measurements suggest that, similar to the other Fe-based materials, magnetism has a profound impact on the lattice dynamics of β-FeSe(001).

  14. Energy loss of argon in a laser-generated carbon plasma.

    Science.gov (United States)

    Frank, A; Blazević, A; Grande, P L; Harres, K; Hessling, T; Hoffmann, D H H; Knobloch-Maas, R; Kuznetsov, P G; Nürnberg, F; Pelka, A; Schaumann, G; Schiwietz, G; Schökel, A; Schollmeier, M; Schumacher, D; Schütrumpf, J; Vatulin, V V; Vinokurov, O A; Roth, M

    2010-02-01

    The experimental data presented in this paper address the energy loss determination for argon at 4 MeV/u projectile energy in laser-generated carbon plasma covering a huge parameter range in density and temperature. Furthermore, a consistent theoretical description of the projectile charge state evolution via a Monte Carlo code is combined with an improved version of the CasP code that allows us to calculate the contributions to the stopping power of bound and free electrons for each projectile charge state. This approach gets rid of any effective charge description of the stopping power. Comparison of experimental data and theoretical results allows us to judge the influence of different plasma parameters.

  15. Energy Loss of Coasting Gold Ions and Deuterons in RHIC

    CERN Document Server

    Abreu, N P; Brown, K; Burkhardt, H; Butler, J; Fischer, W; Harvey, M; Tepikian, S

    2008-01-01

    The total energy loss of coasting gold ion beams at two different energies and deuterons at one energy were measured at RHIC, corresponding to a gamma of 75.2, 107.4 and 108.7 respectively. We describe the experiment and observations and compare the measured total energy loss with expectations from ionization losses at the residual gas, the energy loss due to impedance and synchrotron radiation. We find that the measured energy losses are below what is expected from free space synchrotron radiation. We believe that this shows evidence for suppression of synchrotron radiation which is cut off at long wavelength by the presence of the conducting beam pipe.

  16. Energy loss in grazing proton-surface collisions

    Energy Technology Data Exchange (ETDEWEB)

    Juaristi, J I [Dept. Fisica de Materiales, Facultad de Quimicas, UPV/EHU, San Sebastian (Spain); Garcia de Abajo, F J [Dept. Ciencias de la Computacion e Inteligencia Artificial, Facultad de Informatica, UPV/EHU, San Sebastian (Spain)

    1994-05-01

    The energy loss of fast protons, with energy E > 100 keV, specularly reflected on a solid surface with glancing angle of incidence of the order of a mrad is analysed on theoretical grounds. Two different contributions can be distinguished: (i) energy losses originating from the interaction with the valence band, accounted for through an induced force, and (ii) the excitation of electron bound states of the target atoms. The results are compared with available experimental data. (orig.)

  17. Energy loss in grazing proton-surface collisions

    International Nuclear Information System (INIS)

    Juaristi, J.I.; Garcia de Abajo, F.J.

    1994-01-01

    The energy loss of fast protons, with energy E > 100 keV, specularly reflected on a solid surface with glancing angle of incidence of the order of a mrad is analysed on theoretical grounds. Two different contributions can be distinguished: i) energy losses originating from the interaction with the valence band, accounted for through an induced force, and ii) the excitation of electron bound states of the target atoms. The results are compared with available experimental data. (orig.)

  18. Eddy current loss calculation and thermal analysis of axial-flux permanent magnet couplers

    Directory of Open Access Journals (Sweden)

    Di Zheng

    2017-02-01

    Full Text Available A three-dimensional magnetic field analytical model of axial-flux permanent magnet couplers is presented to calculate the eddy current loss, and the prediction of the copper plate temperature under various loads is analyzed. The magnetic field distribution is calculated, and then the eddy current loss is obtained, with the magnetic field analytical model established in cylindrical coordinate. The influence of various loads on eddy current loss is analyzed. Furthermore, a thermal model of axial-flux permanent magnet couplers is established by taking the eddy current loss as the heat source, using the electromagnetic-thermal coupled method. With the help of the thermal model, the influence of various loads on copper plate temperature rise is also analyzed. The calculated results are compared with the results of finite element method and measurement. The comparison results confirm the validity of the magnetic field analytical model and thermal model.

  19. Implementing tactical plans to improve water-energy loss management

    OpenAIRE

    Loureiro, D.; Alegre, H.; Silva, M. S.; Ribeiro, R.; Mamade, A.; Poças, A.

    2015-01-01

    Water utilities are aware of the water-energy loss relevance in supply systems. However, they still mainly focus on daily water loss control (real and apparent losses), without considering the impact on embedded energy. Moreover, they are mostly concerned with the economic dimension and, in most cases, tend to disregard the impact that water-energy loss may have on the quality of service, communication with the customers, social awareness, water quality and environment. This paper focuses on ...

  20. Energy loss of muons in the energy range 1-10000 GeV

    International Nuclear Information System (INIS)

    Lohmann, W.; Kopp, R.; Voss, R.

    1985-01-01

    A summary is given of the most recent formulae for the cross-sections contributing to the energy loss of muons in matter, notably due to electro-magnetic interactions (ionization, bremsstrahlung and electron-pair production) and nuclear interactions. Computed energy losses dE/dx are tabulated for muons with energy between 1 GeV and 10,000 GeV in a number of materials commonly used in high-energy physics experiments. In comparison with earlier tables, these show deviations that grow with energy and amount to several per cent at 200 GeV muon energy. (orig.)

  1. Regenerator heat exchanger – calculation of heat recovery efficiency and pressure loss

    DEFF Research Database (Denmark)

    Pomianowski, Michal Zbigniew; Heiselberg, Per Kvols

    Performance of heat exchangers is determined based on two main parameters: efficiency to exchange / recover heat and pressure loss due to friction between fluid and exchanger surfaces. These two parameters are contradicting each other which mean that the higher is efficiency the higher becomes...... pressure loss. The aim of the optimized design of heat exchanger is to reach the highest or the required heat efficiency and at the same time to keep pressure losses as low as possible keeping total exchanger size within acceptable size. In this report is presented analytical calculation method...... to calculate efficiency and pressure loss in the regenerator heat exchanger with a fixed matrix that will be used in the decentralized ventilation unit combined in the roof window. Moreover, this study presents sensitivity study of regenerator heat exchanger performance, taking into account, such parameters as...

  2. Electron energy-loss spectroscopy

    International Nuclear Information System (INIS)

    Egerton, R.

    1997-01-01

    As part of the commemorative series of articles to mark the hundredth anniversary of the discovery of the electron, this article discusses electron energy-loss spectroscopy. The physical and chemical properties of materials can be studied by considering the energy that electrons use as they travel through a solid, often in conjunction with other analytical techniques. The technique is often combined with electron diffraction and high-resolution imaging and can be used to provide elemental identification down to the atomic scale. (UK)

  3. Calculation of W for low energy electrons in tissue-equivalent gas. [<10 keV

    Energy Technology Data Exchange (ETDEWEB)

    Dayashankar, [Bhabha Atomic Research Centre, Bombay (India). Div. of Radiation Protection

    1977-11-01

    The mean energy expended per ion pair formed (W-value) in the tissue-equivalent gas for incident electrons of energy up to 10 keV has been calculated in the continuous slowing-down approximation. The effect of secondary and tertiary electrons has been considered by utilizing recent measurements of Opal et al., (1971, J. Chem. Phys., 55,4100) on the energy spectra of low-energy secondary electrons and the Mott formula for the spectra of high-energy secondaries. The results, which are provisional in nature due to the limitations on the accuracy of the input cross-section data and the neglect of the discrete nature of energy loss process, are compared with the available measurements.

  4. Spin flip inelastic scattering in electron energy loss spectroscopy of a ferromagnetic metal

    International Nuclear Information System (INIS)

    Bocchetta, C.J.; Tosatti, E.; Yin, S.

    1986-11-01

    A model ferromagnetic metal is used to calculate the spin-polarization which occurs during inelastic electron-metal scattering with the production of an electron-hole pair. The polarization is found to have contributions from unequal spin-flip as well as non-flip energy loss rates. Our results indicate an asymmetry of the order of a few percent with parameters roughly modelling iron. (author)

  5. Radiative energy loss of neighboring subjets arXiv

    CERN Document Server

    Mehtar-Tani, Yacine

    We compute the in-medium energy loss probability distribution of two neighboring subjets at leading order, in the large-$N_c$ approximation. Our result exhibits a gradual onset of color decoherence of the system and accounts for two expected limiting cases. When the angular separation is smaller than the characteristic angle for medium-induced radiation, the two-pronged substructure lose energy coherently as a single color charge, namely that of the parent parton. At large angular separation the two subjets lose energy independently. Our result is a first step towards quantifying effects of energy loss as a result of the fluctuation of the multi-parton jet substructure and therefore goes beyond the standard approach to jet quenching based on single parton energy loss. We briefly discuss applications to jet observables in heavy-ion collisions.

  6. A dielectric matrix calculation of the surface-plasmon energy for the silicon (100) surface

    International Nuclear Information System (INIS)

    Forsyth, A.J.; Smith, A.E.; Josefsson, T.W.

    1996-01-01

    Full text: As an extension of previous work, we present preliminary calculations for the dielectric properties of the silicon (100) surface. In particular, the |q|→0 and |q|=2π/a(1,0,0) surface loss function, and corresponding surface plasmon energies have been calculated within a simple model for the silicon surface. The results have been obtained from the Adler and Wiser dielectric matrix (DM). The bandstructure used for the calculation was based on the highly successful empirical pseudopotential method of Cohen and Chelikovsky. We have used a 59 plane wave basis for the bandstructure, and have chosen a DM size of 59 x 59. Results are compared and contrasted with volume plasmon calculations, free electron calculations and experiment

  7. electron energy-loss spectroscopy

    International Nuclear Information System (INIS)

    Egerton, R.

    1997-01-01

    As part of a commemorative series of articles to mark the hundredth anniversary of the discovery of the electron, this article describes the use of electron energy-loss spectroscopy. The physical and chemical properties of materials can be studied by considering the energy that electrons use as they travel through a solid, often in conjunction with other analytical techniques. The technique is often combined with electron diffraction and high-resolution imaging and can be used to provide elemental identification down to the atomic scale. 6 figs

  8. Uncertainty, loss aversion, and markets for energy efficiency

    International Nuclear Information System (INIS)

    Greene, David L.

    2011-01-01

    Increasing energy efficiency is critical to mitigating greenhouse gas emissions from fossil-fuel combustion, reducing oil dependence, and achieving a sustainable global energy system. The tendency of markets to neglect apparently cost-effective energy efficiency options has been called the 'efficiency gap' or 'energy paradox.' The market for energy efficiency in new, energy-using durable goods, however, appears to have a bias that leads to undervaluation of future energy savings relative to their expected value. This paper argues that the bias is chiefly produced by the combination of substantial uncertainty about the net value of future fuel savings and the loss aversion of typical consumers. This framework relies on the theory of context-dependent preferences. The uncertainty-loss aversion bias against energy efficiency is quantifiable, making it potentially correctible by policy measures. The welfare economics of such policies remains unresolved. Data on the costs of increased fuel economy of new passenger cars, taken from a National Research Council study, illustrate how an apparently cost-effective increase in energy efficiency would be uninteresting to loss-averse consumers.

  9. Electronic structure of metastable bcc Cu–Cr alloy thin films: Comparison of electron energy-loss spectroscopy and first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Liebscher, C.H.; Freysoldt, C. [Max-Planck-Institut für Eisenforschung GmbH, 40237 Düsseldorf (Germany); Dennenwaldt, T. [Institute of Condensed Matter Physics and Interdisciplinary Center for Electron Microscopy, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne (Switzerland); Harzer, T.P.; Dehm, G. [Max-Planck-Institut für Eisenforschung GmbH, 40237 Düsseldorf (Germany)

    2017-07-15

    Metastable Cu–Cr alloy thin films with nominal thickness of 300 nm and composition of Cu{sub 67}Cr{sub 33} (at%) are obtained by co-evaporation using molecular beam epitaxy. The microstructure, chemical phase separation and electronic structure are investigated by transmission electron microscopy (TEM). The thin film adopts the body-centered cubic crystal structure and consists of columnar grains with ~50 nm diameter. Aberration-corrected scanning TEM in combination with energy dispersive X-ray spectroscopy confirms compositional fluctuations within the grains. Cu- and Cr-rich domains with composition of Cu{sub 85}Cr{sub 15} (at%) and Cu{sub 42}Cr{sub 58} (at%) and domain size of 1–5 nm are observed. The alignment of the interface between the Cu- and Cr-rich domains shows a preference for {110}-type habit plane. The electronic structure of the Cu–Cr thin films is investigated by electron energy loss spectroscopy (EELS) and is contrasted to an fcc-Cu reference sample. The experimental EEL spectra are compared to spectra computed by density functional theory. The main differences between bcc-and fcc-Cu are related to differences in van Hove singularities in the electron density of states. In Cu–Cr solid solutions with bcc crystal structure a single peak after the L{sub 3}-edge, corresponding to a van Hove singularity at the N-point of the first Brillouin zone is observed. Spectra computed for pure bcc-Cu and random Cu–Cr solid solutions with 10 at% Cr confirm the experimental observations. The calculated spectrum for a perfect Cu{sub 50}Cr{sub 50} (at%) random structure shows a shift in the van Hove singularity towards higher energy by developing a Cu–Cr d-band that lies between the delocalized d-bands of Cu and Cr. - Highlights: • Compositional fluctuations on the order of 1–5 nm in Cu- and Cr-rich domains are observed. • EELS determines a single van Hove singularity for bcc Cu–Cr solid solutions. • The electronic structure is dominated by d

  10. Energy losses on tokamak startup

    International Nuclear Information System (INIS)

    Murray, J.G.; Rothe, K.E.; Bronner, G.

    1983-01-01

    During the startup of a tokamak reactor using poloidal field (PF) coils to induce plasma currents, the conducting structures carry induced currents. The associated energy losses in the circuits must be provided by the startup coils and the PF system. This paper provides quantitative and comparitive values for the energies required as a function of the thickness or resistivity of the torus shells

  11. Gaussian optics calculations of the parameters of a magnetic sector energy analyzer

    International Nuclear Information System (INIS)

    Zaluzec, N.J.

    1978-01-01

    The design of a magnetic deflection system for use as an electron energy loss spectrometer can be a complex process if one takes the most general approach. However, for application to materials research the design process can be reduced to three basic steps. First, the qualitative features of the overall system are defined--i.e., incident electron energy, required resolution, type of magnet, the desired focal properties, etc. Secondly, the design parameters necessary to meet these requirements are calculated using the appropriate equations. Finally, once the magnetic field has been specified, ray-tracing techniques can be employed to verify the system response to the conditions defined in the first two steps. The calculation of the parameters of a uniform field magnetic sector analyzer capable of energy resolutions of 20 ppM or better are considered. Higher resolution is attainable; however, for most materials work, more important considerations are the attainment of double focusing to improve S/N, the minimization of aberrations and the achievement of a flat image plane to facilitate parallel data recording

  12. Calculation and application of energy transaction allocation factors in electric power transmission systems

    Science.gov (United States)

    Fradi, Aniss

    The ability to allocate the active power (MW) loading on transmission lines and transformers, is the basis of the "flow based" transmission allocation system developed by the North American Electric Reliability Council. In such a system, the active power flows must be allocated to each line or transformer in proportion to the active power being transmitted by each transaction imposed on the system. Currently, this is accomplished through the use of the linear Power Transfer Distribution Factors (PTDFs). Unfortunately, no linear allocation models exist for other energy transmission quantities, such as MW and MVAR losses, MVAR and MVA flows, etc. Early allocation schemes were developed to allocate MW losses due to transactions to branches in a transmission system, however they exhibited diminished accuracy, since most of them are based on linear power flow modeling of the transmission system. This thesis presents a new methodology to calculate Energy Transaction Allocation factors (ETA factors, or eta factors), using the well-known process of integration of a first derivative function, as well as consistent and well-established mathematical and AC power flow models. The factors give a highly accurate allocation of any non-linear system quantity to transactions placed on the transmission system. The thesis also extends the new ETA factors calculation procedure to restructure a new economic dispatch scheme where multiple sets of generators are economically dispatched to meet their corresponding load and their share of the losses.

  13. Elucidating Jet Energy Loss Using Jets: Prospects from ATLAS

    International Nuclear Information System (INIS)

    Grau, N.

    2009-01-01

    Jets at the LHC are expected to provide the testing ground for studying QCD energy loss. In this contribution, we briefly outline the strategy that will be used to measure jets in ATLAS and how we will go about studying energy loss. We describe the utility of measuring the jet R AA , the fragmentation function, and heavy flavor jets. Utilizing the collision energy provided by the LHC and the nearly hermetic and highly segmented calorimeter, ATLAS is expected to make important contributions to the understanding of parton energy loss using fully reconstructed jets.

  14. Elucidating Jet Energy Loss Using Jets Prospects from ATLAS

    CERN Document Server

    Grau, N

    2009-01-01

    Jets at the LHC are expected to provide the testing ground for studying QCD energy loss. In this contribution, we briefly outline the strategy that will be used to measure jets in ATLAS and how we will go about studying energy loss. We describe the utility of measuring the jet $R_{AA}$, the fragmentation function, and heavy flavor jets. Utilizing the collision energy provided by the LHC and the nearly hermetic and highly segmented calorimeter, ATLAS is expected to make important contributions to the understanding of parton energy loss using fully reconstructed jets.

  15. Deconvolution of overlapping features in electron energy-loss spectra: the determination of absolute differential cross sections for electron-impact excitation of electronic states of molecules

    International Nuclear Information System (INIS)

    Campbell, L.; Brunger, M.J.; Teubner, O.J.P.; Mojarrabi, B.

    1996-06-01

    A set of three computer programs is reported which allow for the deconvolution of overlapping molecular electronic state structure in electron energy-loss spectra, even in highly perturbed systems. This procedure enables extraction of absolute differential cross sections for electron-impact excitation of electronic states of diatomic molecules from electron energy-loss spectra. The first code in the sequence uses the Rydberg-Klein-Rees procedure to generate potential energy curves from spectroscopic constants, while the second calculates Franck-Condon factors by numerical solution of the Schroedinger equation, given the potential energy curves. The third, given these Franck-Condon factors, the previously calculated relevant energies for the vibrational levels of the respective electronic states and the experimental energy-loss spectra, extracts the differential cross sections for each state. Each program can be run independently, or the three can run in sequence to determine these cross sections from the spectroscopic constants and the experimental energy-loss spectra. The application of these programs to the specific case of electron scattering from nitric oxide (NO) is demonstrated. 25 refs., 2 tabs., 2 figs

  16. Hybrid Electric Vehicle Control Strategy Based on Power Loss Calculations

    OpenAIRE

    Boyd, Steven J

    2006-01-01

    Defining an operation strategy for a Split Parallel Architecture (SPA) Hybrid Electric Vehicle (HEV) is accomplished through calculating powertrain component losses. The results of these calculations define how the vehicle can decrease fuel consumption while maintaining low vehicle emissions. For a HEV, simply operating the vehicle's engine in its regions of high efficiency does not guarantee the most efficient vehicle operation. The results presented are meant only to define a literal str...

  17. Microgrids: Energy management by loss minimization technique

    Energy Technology Data Exchange (ETDEWEB)

    Basu, A.K. [Electrical Engineering Dept., Jadavpur University & 20/2, Khanpur Road, Kolkata 700047 (India); Chowdhury, S.; Chowdhury, S.P. [Electrical Engineering Department, University of Cape Town & Private Bag X3, Menzies Building, Room-517, Rondebosch, Cape Town 7701 (India)

    2011-07-01

    Energy management is a techno-economic issue, which dictates, in the context of microgrids, how optimal investment in technology front could bring optimal power quality and reliability (PQR) of supply to the consumers. Investment in distributed energy resources (DERs), with their connection to the utility grid at optimal locations and with optimal sizes, saves energy in the form of line loss reduction. Line loss reduction is the indirect benefit to the microgrid owner who may recover it as an incentive from utility. The present paper focuses on planning of optimal siting and sizing of DERs based on minimization of line loss. Optimal siting is done, here, on the loss sensitivity index (LSI) method and optimal sizing by differential evolution (DE) algorithms, which is, again, compared with particle swarm optimization (PSO) technique. Studies are conducted on 6-bus and 14-bus radial networks under islanded mode of operation with electric demand profile. Islanding helps planning of DER capacity of microgrid, which is self-sufficient to cater its own consumers without utility's support.

  18. Comments on GUT monopole energy loss and ionization

    International Nuclear Information System (INIS)

    Hagstrom, R.

    1982-01-01

    A few comments about the likely behavior of the electromagnetic energy loss and ionization rates of super-slowly moving magnetic monopoles are presented. The questions of energy loss rates and ionization rates for super-low monopoles passing through matter are considered, concentrating on aspects of these issues which affect practical detection techniques. It is worthwhile here to emphasize that there is a potentially great distinction between energy loss rates and ionization rates and that the magnitude of this distinction is really the great issue which must be settled in order to understand the significance of experimental results from present and proposed investigations of the slow monopole question. Energy loss here means the total dE/dX of the projectile due to interactions with the electrons of the slowing medium. To the extent that nuclear collisions can be neglected, this so-called electronic energy loss is the relevant quantity in questions about whether monopoles stop within the earth's crust, whether they are slowed by interstellar plasmas, or the signal in a truly calorimetric measurement (measuring temperature rises along the trajectory), etc. Most of our successful detection techniques depend upon the promotion of ground state electrons into states which lie above some energy gap in the material of the detector: electrons must be knocked completely free from the gas atoms in a proportional chamber gas, electrons must be promoted to a higher band in solid scintillator plastics. These processes are generically identified as ionization

  19. Electronic energy states of HfSe/sub 2/ and NbSe/sub 2/ by low energy electron loss spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Ito, T; Iwami, M; Hiraki, A [Osaka Univ., Suita (Japan). Faculty of Engineering

    1981-06-01

    Low energy electron loss spectroscopy (ELS) study was performed on 1T-HfSe/sub 2/ (group IVB metal compound) and 2H-NbSe/sub 2/ (group VB metal compound) by using incident electron energies of 30-250 eV. From the loss data in the second derivative form, maxima in density-of-states in the conduction band of the compounds were deduced through the information on the filled core states by X-ray photoelectron spectroscopy. The conduction band of the transition-metal dichalcogenides could be divided into two parts. The results are discussed in relation to the previous work on WS/sub 2/ (group VIB metal compound), and also to proposals based on band calculations and experimental studies on the transition-metal dichalcogenides with constituent metals of group IVB, VB and VIB.

  20. Effect of inelastic energy losses on development of atom-atom collision cascades

    International Nuclear Information System (INIS)

    Marinyuk, V.V.; Remizovich, V.S.

    2001-01-01

    The problem of influence of inelastic energy losses (ionization braking) of particles on the development of atom-atom collision cascades in infinite medium was studied theoretically. Main attention was paid to study of angular and energy distributions of primary ions and cascade atoms in the presence of braking. Analytical calculations were made in the assumption that single scattering of particles occurs by solid balls law, while the value of electron braking ability of a medium is determined by the Lindhard formula. It is shown that account of braking (directly when solving the Boltzmann transport equation) changes in principle the previously obtained angular and energy spectra of ions and cascade atoms. Moreover, it is the braking that is the determining factor responsible for anisotropy of angular distributions of low-energy primary ions and cascade atoms [ru

  1. Power Loss Calculation and Thermal Modelling for a Three Phase Inverter Drive System

    Directory of Open Access Journals (Sweden)

    Z. Zhou

    2005-12-01

    Full Text Available Power losses calculation and thermal modelling for a three-phase inverter power system is presented in this paper. Aiming a long real time thermal simulation, an accurate average power losses calculation based on PWM reconstruction technique is proposed. For carrying out the thermal simulation, a compact thermal model for a three-phase inverter power module is built. The thermal interference of adjacent heat sources is analysed using 3D thermal simulation. The proposed model can provide accurate power losses with a large simulation time-step and suitable for a long real time thermal simulation for a three phase inverter drive system for hybrid vehicle applications.

  2. Energy loss of charged particles to molecular gas targets

    International Nuclear Information System (INIS)

    Sigmund, P.

    1976-01-01

    The energy loss spectrum of fast charged particles penetrating a dilute molecular gas target has been analysed theoretically, with a homogeneous gas mixture in the state of complete dissociation as a reference standard. It is shown that the geometrical structure of molecules causes the energy-loss straggling and higher moments over the energy-loss spectrum to be greater than the corresponding quantities for a completely dissociated gas of equal composition. Such deviations from additivity are shown to be most pronounced at energies around the stopping-power maximum. There is found supporting evidence in the experimental literature. (Auth.)

  3. Danish Sector Guide for Calculation of the Actual Energy Consumption

    DEFF Research Database (Denmark)

    Mortensen, Lone Hedegaard

    2016-01-01

    , the innovation network for sustainable construction, InnoBYG started work on a Danish sector guide for the calculation of actual energy consumption in relation to upgrading of buildings. The focus was to make a common guide for energy calculations that can be used by consultants performing calculations...... consumption compared with the estimated energy demand by calculation. The paper concludes that the result of an energy calculation should not be given as a single figure but rather as a spread between the best and worst case for the assumed conditions. Finally, a brief update on current actions is given...... related to the sector guide for calculation of actual energy consumption. Keywords – Energy calculations, actual energy consumption, energy perfomance...

  4. DETERMINATION OF ENERGY LOSSES BY SHOCK ABSORBER IN A FREIGHT CAR AT CRASH MODE

    Directory of Open Access Journals (Sweden)

    Ya. V. Bolzhelarskyi

    2016-08-01

    Full Text Available Purpose. The purpose of this work is to determine the energy losses in the shock absorber of the freight car whose wheel-set moves in the derailed state on the track panel depending on the axle load and structural parameters of spring suspension. Methodology. On the basis of spring suspension construction analysis and operating principle of the friction shock absorber of the freight car bogie the authors provide the method for determining the energy absorbed by it. The calculations take the maximum values of the absorber elements displacement and the regulatory values of spring suspension parameters. Findings. The authors obtained the calculated formula for determining the energy absorbed by shock absorber for regulation-set mounting schemes of elastic bogie elements depending on the axial load. The mentioned curves are parabolic. Originality. The work examines the crash mode of the wheel-set movement on the track panels after its derailment. It is shown that the energy dissipation in the shock absorbers is the reason for increase in resistance to rolling stock movement. The formulas for calculating the amount of energy dissipated in the shock absorber with a maximum displacement of its elements are derived. This energy depends on the axle load and structural parameters of spring suspension. Practical value. The proposed method allows setting the value of the additional resistance to motion that occurs in crash mode which makes it possible to increase the accuracy of traction calculations.

  5. Kramers-Kronig transform for the surface energy loss function

    International Nuclear Information System (INIS)

    Tan, G.L.; DeNoyer, L.K.; French, R.H.; Guittet, M.J.; Gautier-Soyer, M.

    2005-01-01

    A new pair of Kramers-Kronig (KK) dispersion relationships for the transformation of surface energy loss function Im[-1/(ε + 1)] has been proposed. The validity of the new surface KK transform is confirmed, using both a Lorentz oscillator model and the surface energy loss functions determined from the experimental complex dielectric function of SrTiO 3 and tungsten metal. The interband transition strength spectra (J cv ) have been derived either directly from the original complex dielectric function or from the derived dielectric function obtained from the KK transform of the surface energy loss function. The original J cv trace and post-J cv trace overlapped together for the three modes, indicating that the new surface Kramers-Kronig dispersion relationship is valid for the surface energy loss function

  6. Guidelines for the analysis of free energy calculations.

    Science.gov (United States)

    Klimovich, Pavel V; Shirts, Michael R; Mobley, David L

    2015-05-01

    Free energy calculations based on molecular dynamics simulations show considerable promise for applications ranging from drug discovery to prediction of physical properties and structure-function studies. But these calculations are still difficult and tedious to analyze, and best practices for analysis are not well defined or propagated. Essentially, each group analyzing these calculations needs to decide how to conduct the analysis and, usually, develop its own analysis tools. Here, we review and recommend best practices for analysis yielding reliable free energies from molecular simulations. Additionally, we provide a Python tool, alchemical-analysis.py, freely available on GitHub as part of the pymbar package (located at http://github.com/choderalab/pymbar), that implements the analysis practices reviewed here for several reference simulation packages, which can be adapted to handle data from other packages. Both this review and the tool covers analysis of alchemical calculations generally, including free energy estimates via both thermodynamic integration and free energy perturbation-based estimators. Our Python tool also handles output from multiple types of free energy calculations, including expanded ensemble and Hamiltonian replica exchange, as well as standard fixed ensemble calculations. We also survey a range of statistical and graphical ways of assessing the quality of the data and free energy estimates, and provide prototypes of these in our tool. We hope this tool and discussion will serve as a foundation for more standardization of and agreement on best practices for analysis of free energy calculations.

  7. Proton energy loss in multilayer graphene and carbon nanotubes

    Science.gov (United States)

    Uribe, Juan D.; Mery, Mario; Fierro, Bernardo; Cardoso-Gil, Raul; Abril, Isabel; Garcia-Molina, Rafael; Valdés, Jorge E.; Esaulov, Vladimir A.

    2018-02-01

    Results of a study of electronic energy loss of low keV protons interacting with multilayer graphene targets are presented. Proton energy loss shows an unexpectedly high value as compared with measurements in amorphous carbon and carbon nanotubes. Furthermore, we observe a classical linear behavior of the energy loss with the ion velocity but with an apparent velocity threshold around 0.1 a.u., which is not observed in other carbon allotropes. This suggests low dimensionality effects which can be due to the extraordinary graphene properties.

  8. Tables of range and rate of energy loss of charged particles of energy 0,5 to 150 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Williamson, C; Boujot, J P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1962-07-01

    The accurate knowledge of ranges and rates of energy loss of charged particles is very important for physicists working with nuclear accelerators. The tabulations of Aron, Hoffmann, and Williams and later of Madey and Rich have proved extremely useful. However, recent experimental range measurements have indicated the need for a new tabulation of the range-energy relation. It was felt that a useful purpose would be served by performing the calculations for a large number of stopping materials distributed throughout the periodic table, including the materials most commonly used as targets, detectors, and entrance foils. (authors)

  9. Energy loss in degenerate semiconductors due to inelastic interaction with acoustic and piezoelectric phonons at low lattice temperatures

    International Nuclear Information System (INIS)

    Midday, S; Bhattacharya, D P

    2011-01-01

    The energy loss rate of an electron in a degenerate semiconductor because of inelastic interaction with deformation potential and piezoelectric acoustic phonons is calculated in the case when the lattice temperature is low, so that the approximations of the well-known traditional theory are not valid. Compared to the traditional results and those for non-degenerate semiconductors, the theory here reveals a more complex and altogether different dependence of the loss rate on the carrier energy and the lattice temperature. The numerical results obtained here for Si and GaAs show how significantly the degeneracy level, the true phonon distribution or the inelasticity of the interaction affects the loss characteristics at low temperatures.

  10. Quantum-size effects in the energy loss of charged particles interacting with a confined two-dimensional electron gas

    International Nuclear Information System (INIS)

    Borisov, A. G.; Juaristi, J. I.; Muino, R. Diez; Sanchez-Portal, D.; Echenique, P. M.

    2006-01-01

    Time-dependent density-functional theory is used to calculate quantum-size effects in the energy loss of antiprotons interacting with a confined two-dimensional electron gas. The antiprotons follow a trajectory normal to jellium circular clusters of variable size, crossing every cluster at its geometrical center. Analysis of the characteristic time scales that define the process is made. For high-enough velocities, the interaction time between the projectile and the target electrons is shorter than the time needed for the density excitation to travel along the cluster. The finite-size object then behaves as an infinite system, and no quantum-size effects appear in the energy loss. For small velocities, the discretization of levels in the cluster plays a role and the energy loss does depend on the system size. A comparison to results obtained using linear theory of screening is made, and the relative contributions of electron-hole pair and plasmon excitations to the total energy loss are analyzed. This comparison also allows us to show the importance of a nonlinear treatment of the screening in the interaction process

  11. Window Energy Rating System and Calculation of Energy Performance of Windows

    DEFF Research Database (Denmark)

    Laustsen, Jacob Birck; Svendsen, Svend

    The goal of reducing the energy consumption in buildings is the background for the introduction of an energy rating system of fenestration products in Denmark. The energy rating system requires that producers declare, among other things, the heat loss coefficient, U, and the total solar energy...... development, e.g. when the resulting effects of a reduced frame area are evaluated....

  12. Experimental and theoretical study of the energy loss of C and O in Zn

    Energy Technology Data Exchange (ETDEWEB)

    Cantero, E. D.; Lantschner, G. H.; Arista, N. R. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina); Montanari, C. C.; Miraglia, J. E. [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Buenos Aires (Argentina); Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Behar, M.; Fadanelli, R. C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, Porto Alegre-RS (Brazil)

    2011-07-15

    We present a combined experimental-theoretical study of the energy loss of C and O ions in Zn in the energy range 50-1000 keV/amu. This contribution has a double purpose, experimental and theoretical. On the experimental side, we present stopping power measurements that fill a gap in the literature for these projectile-target combinations and cover an extended energy range, including the stopping maximum. On the theoretical side, we make a quantitative test on the applicability of various theoretical approaches to calculate the energy loss of heavy swift ions in solids. The description is performed using different models for valence and inner-shell electrons: a nonperturbative scattering calculation based on the transport cross section formalism to describe the Zn valence electron contribution, and two different models for the inner-shell contribution: the shellwise local plasma approximation (SLPA) and the convolution approximation for swift particles (CasP). The experimental results indicate that C is the limit for the applicability of the SLPA approach, which previously was successfully applied to projectiles from H to B. We find that this model clearly overestimates the stopping data for O ions. The origin of these discrepancies is related to the perturbative approximation involved in the SLPA. This shortcoming has been solved by using the nonperturbative CasP results to describe the inner-shell contribution, which yields a very good agreement with the experiments for both C and O ions.

  13. Resistant starch and energy balance: impact on weight loss and maintenance.

    Science.gov (United States)

    Higgins, Janine A

    2014-01-01

    The obesity epidemic has prompted researchers to find effective weight-loss and maintenance tools. Weight loss and subsequent maintenance are reliant on energy balance--the net difference between energy intake and energy expenditure. Negative energy balance, lower intake than expenditure, results in weight loss whereas positive energy balance, greater intake than expenditure, results in weight gain. Resistant starch has many attributes, which could promote weight loss and/or maintenance including reduced postprandial insulinemia, increased release of gut satiety peptides, increased fat oxidation, lower fat storage in adipocytes, and preservation of lean body mass. Retention of lean body mass during weight loss or maintenance would prevent the decrease in basal metabolic rate and, therefore, the decrease in total energy expenditure, that occurs with weight loss. In addition, the fiber-like properties of resistant starch may increase the thermic effect of food, thereby increasing total energy expenditure. Due to its ability to increase fat oxidation and reduce fat storage in adipocytes, resistant starch has recently been promoted in the popular press as a "weight loss wonder food". This review focuses on data describing the effects of resistant starch on body weight, energy intake, energy expenditure, and body composition to determine if there is sufficient evidence to warrant these claims.

  14. Calculation and Analysis of Permanent Magnet Eddy Current Loss Fault with Magnet Segmentation

    Directory of Open Access Journals (Sweden)

    Bing Li

    2016-01-01

    Full Text Available This paper investigates the problem of calculating and analyzing the effect of the permanent magnet eddy current loss fault due to magnet segmentation. Taking an interior permanent magnet synchronous motor with inverter supplied as an example, the rated power of motor was 2.2 kW. Three-dimensional finite-element model was firstly established based on finite-element software. Then, the model mesh and boundary conditions were handled specially; permanent magnet eddy current loss fault was calculated and analyzed theoretically with magnet segmentation from space harmonic and time harmonic, respectively. Finally, calculation results were compared and explained. A useful conclusion for permanent magnet synchronous motor design has been obtained.

  15. Far-from-equilibrium heavy quark energy loss at strong coupling

    CERN Document Server

    Chesler, Paul; Rajagopal, Krishna

    2013-01-01

    We study the energy loss of a heavy quark propagating through the matter produced in the collision of two sheets of energy [1]. Even though this matter is initially far-from-equilibrium we find that, when written in terms of the energy density, the equilibrium expression for heavy quark energy loss describes most qualitative features of our results well. At later times, once a plasma described by viscous hydrodynamics has formed, the equilibrium expression describes the heavy quark energy loss quantitatively. In addition to the drag force that makes it lose energy, a quark moving through the out-of-equilibrium matter feels a force perpendicular to its velocity.

  16. A new calculation on the stopping power and mean free path for low energy electrons in toluene over energy range of 20-10 000 eV

    International Nuclear Information System (INIS)

    Tan Zhenyu; Xia Yueyuan; Liu Xiangdong; Zhao Mingwen; Zhang Liming

    2009-01-01

    A new calculation of the stopping powers (SP) and inelastic mean free paths (IMFP) for electrons in toluene at energies below 10 keV has been presented. The calculation is based on the dielectric model and on an empirical evaluation approach of optical energy loss function (OELF). The reliability for the evaluated OELFs of several hydrocarbons with available experimental optical data has been systematically checked. For toluene, using the empirical OELF, the evaluated mean ionization potential, is compared with that given by Bragg's rule, and the calculated SP at 10 keV is also compared with the Bethe-Bloch prediction. The present results for SP and IMFP provide an alternative basic data for the study on the energy deposition of low-energy electrons transport through toluene, and also show that the method used in this work may be a good one for evaluating the SP and IMFP for hydrocarbons

  17. Quark Energy Loss and Shadowing in Nuclear Drell-Yan Process

    Institute of Scientific and Technical Information of China (English)

    DUAN Chun-Gui; CUI Shu-Wen; YAN Zhan-Yuan

    2005-01-01

    The energy loss effect in nuclear matter is another nuclear effect apart from the nuclear effects on the parton distribution as in deep inelastic scattering process. The quark energy loss can be measured best by the nuclear dependence of the high energy nuclear Drell-Yan process. By means of three kinds of quark energy loss parameterizations given in literature and the nuclear parton distribution extracted only with lepton-nucleus deep inelastic scattering experimental data, measured Drell-Yan production cross sections are analyzed for 800 GeV proton incident on a variety of nuclear targets from FNAL E866. It is shown that our results with considering the energy loss effect are much different from those of the FNAL E866, who analyzes the experimental data with the nuclear parton distribution functions obtained by using the deep inelastic IA collisions and pA nuclear Drell-Yan data. Considering the existence of energy loss effect in Drell-Yan lepton pairs production, we suggest that the extraction of nuclear parton distribution functions should not include Drell-Yan experimental data.

  18. Quark Energy Loss and Shadowing in Nuclear Drell-Yan Process

    International Nuclear Information System (INIS)

    Duan Chungui; Cui Shuwen; Yan Zhanyuan

    2005-01-01

    The energy loss effect in nuclear matter is another nuclear effect apart from the nuclear effects on the parton distribution as in deep inelastic scattering process. The quark energy loss can be measured best by the nuclear dependence of the high energy nuclear Drell-Yan process. By means of three kinds of quark energy loss parameterizations given in literature and the nuclear parton distribution extracted only with lepton-nucleus deep inelastic scattering experimental data, measured Drell-Yan production cross sections are analyzed for 800 GeV proton incident on a variety of nuclear targets from FNAL E866. It is shown that our results with considering the energy loss effect are much different from those of the FNAL E866, who analyzes the experimental data with the nuclear parton distribution functions obtained by using the deep inelastic lA collisions and pA nuclear Drell-Yan data. Considering the existence of energy loss effect in Drell-Yan lepton pairs production, we suggest that the extraction of nuclear parton distribution functions should not include Drell-Yan experimental data.

  19. Spin-flip inelastic scattering in electron energy loss spectroscopy of a ferromagnetic metal

    International Nuclear Information System (INIS)

    Yin, S.; Tosatti, E.

    1981-08-01

    We calculate the spin polarization occuring during electron inelastic scattering from electron-hole pairs in a model ferromagnetic metal. The polarization is found to have contributions from unequal spin flip as well as non-flip energy loss rates. Our results indicate an asymmetry of the order of a few percent with parameters roughly modeling Fsub(e). The possibilities of comparison with experiments in the presence of simultaneous spin-polarizing elastic scattering are discussed. (author)

  20. Alternating current loss calculation in a high-TC superconducting transmission cable considering the magnetic field distribution

    International Nuclear Information System (INIS)

    Noji, H; Haji, K; Hamada, T

    2003-01-01

    We have calculated the alternating current (ac) losses of a 114 MVA high-T C superconducting (HTS) transmission cable using an electric-circuit (EC) model. The HTS cable is fabricated by Tokyo Electric Power Company and Sumitomo Electric Industries, Ltd. The EC model is comprised of a resistive part and an inductive part. The resistive part is obtained by the approximated Norris equation for a HTS tape. The Norris equation indicates hysteresis losses due to self-fields. The inductive part has two components, i.e. inductances related to axial fields and those related to circumferential fields. The layer currents and applied fields of each layer were calculated by the EC model. By using both values, the ac losses of the one-phase HTS cable were obtained by calculation considering the self-field, the axial field and the circumferential field of the HTS tape. The measured ac loss transporting 1 kA rms is 0.7 W m -1 ph -1 , which is equal to the calculation. The distribution of each layer loss resembles in shape the distribution of the circumferential field in each layer, which indicates that the circumferential fields strongly influence the ac losses of the HTS cable

  1. Shielding NSLS-II light source: Importance of geometry for calculating radiation levels from beam losses [Shielding Synchrotron Light Sources: Importance of geometry for calculating radiation levels from beam losses

    International Nuclear Information System (INIS)

    Kramer, S. L.; Ghosh, V. J.; Breitfeller, M.; Wahl, W.

    2016-01-01

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produces significantly higher neutron component dose to the experimental floor than a lower energy beam injection and ramped operations. Minimizing this dose will require adequate knowledge of where the miss-steered beam can occur and sufficient EM shielding close to the loss point, in order to attenuate the energy of the particles in the EM shower below the neutron production threshold (<10 MeV), which will spread the incident energy on the bulk shield walls and thereby the dose penetrating the shield walls. Designing supplemental shielding near the loss point using the analytic shielding model is shown to be inadequate because of its lack of geometry specification for the EM shower process. To predict the dose rates outside the tunnel requires detailed description of the geometry and materials that the beam losses will encounter inside the tunnel. Modern radiation shielding Monte-Carlo codes, like FLUKA, can handle this geometric description of the radiation transport process in sufficient detail, allowing accurate predictions of the dose rates expected and the ability to show weaknesses in the design before a high radiation incident occurs. The effort required to adequately define the accelerator geometry for these codes has been greatly reduced with the implementation of the graphical interface of FLAIR to FLUKA. This made the effective shielding process for NSLS-II quite accurate and reliable. Lastly, the principles used to provide

  2. Calculating Free Energies Using Average Force

    Science.gov (United States)

    Darve, Eric; Pohorille, Andrew; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    A new, general formula that connects the derivatives of the free energy along the selected, generalized coordinates of the system with the instantaneous force acting on these coordinates is derived. The instantaneous force is defined as the force acting on the coordinate of interest so that when it is subtracted from the equations of motion the acceleration along this coordinate is zero. The formula applies to simulations in which the selected coordinates are either unconstrained or constrained to fixed values. It is shown that in the latter case the formula reduces to the expression previously derived by den Otter and Briels. If simulations are carried out without constraining the coordinates of interest, the formula leads to a new method for calculating the free energy changes along these coordinates. This method is tested in two examples - rotation around the C-C bond of 1,2-dichloroethane immersed in water and transfer of fluoromethane across the water-hexane interface. The calculated free energies are compared with those obtained by two commonly used methods. One of them relies on determining the probability density function of finding the system at different values of the selected coordinate and the other requires calculating the average force at discrete locations along this coordinate in a series of constrained simulations. The free energies calculated by these three methods are in excellent agreement. The relative advantages of each method are discussed.

  3. Mapping and uncertainty analysis of energy and pitch angle phase space in the DIII-D fast ion loss detector

    Energy Technology Data Exchange (ETDEWEB)

    Pace, D. C., E-mail: pacedc@fusion.gat.com; Fisher, R. K.; Van Zeeland, M. A. [General Atomics, PO Box 85608, San Diego, California 92186-5608 (United States); Pipes, R. [Department of Physics, University of Hawaii, Hilo, Hawaii 96720-4091 (United States)

    2014-11-15

    New phase space mapping and uncertainty analysis of energetic ion loss data in the DIII-D tokamak provides experimental results that serve as valuable constraints in first-principles simulations of energetic ion transport. Beam ion losses are measured by the fast ion loss detector (FILD) diagnostic system consisting of two magnetic spectrometers placed independently along the outer wall. Monte Carlo simulations of mono-energetic and single-pitch ions reaching the FILDs are used to determine the expected uncertainty in the measurements. Modeling shows that the variation in gyrophase of 80 keV beam ions at the FILD aperture can produce an apparent measured energy signature spanning across 50-140 keV. These calculations compare favorably with experiments in which neutral beam prompt loss provides a well known energy and pitch distribution.

  4. Mapping and uncertainty analysis of energy and pitch angle phase space in the DIII-D fast ion loss detector.

    Science.gov (United States)

    Pace, D C; Pipes, R; Fisher, R K; Van Zeeland, M A

    2014-11-01

    New phase space mapping and uncertainty analysis of energetic ion loss data in the DIII-D tokamak provides experimental results that serve as valuable constraints in first-principles simulations of energetic ion transport. Beam ion losses are measured by the fast ion loss detector (FILD) diagnostic system consisting of two magnetic spectrometers placed independently along the outer wall. Monte Carlo simulations of mono-energetic and single-pitch ions reaching the FILDs are used to determine the expected uncertainty in the measurements. Modeling shows that the variation in gyrophase of 80 keV beam ions at the FILD aperture can produce an apparent measured energy signature spanning across 50-140 keV. These calculations compare favorably with experiments in which neutral beam prompt loss provides a well known energy and pitch distribution.

  5. High resolution spectroscopy of H+ energy loss in thin carbon film

    International Nuclear Information System (INIS)

    Matsunami, Noriaki; Kitoh, Kenshin

    1991-05-01

    The energy loss of ∼100 keV H + transmitted through thin carbon film of ∼7 nm has been measured with the resolution of ∼20 eV. We have observed new energy loss peaks around 210 and 400 eV in addition to the normal energy loss peak around 1 keV. We find that the experimental artifacts, ionization of C K-(290 eV) and impurity inner-shells, extreme non-uniformity of films, events associated with elastic scattering are not responsible for these peaks. The origin of these low energy loss peaks will be discussed. (author)

  6. Medical radiation dosimetry theory of charged particle collision energy loss

    CERN Document Server

    McParland, Brian J

    2014-01-01

    Accurate radiation dosimetry is a requirement of radiation oncology, diagnostic radiology and nuclear medicine. It is necessary so as to satisfy the needs of patient safety, therapeutic and diagnostic optimisation, and retrospective epidemiological studies of the biological effects resulting from low absorbed doses of ionising radiation. The radiation absorbed dose received by the patient is the ultimate consequence of the transfer of kinetic energy through collisions between energetic charged particles and atoms of the tissue being traversed. Thus, the ability of the medical physicist to both measure and calculate accurately patient dosimetry demands a deep understanding of the physics of charged particle interactions with matter. Interestingly, the physics of charged particle energy loss has an almost exclusively theoretical basis, thus necessitating an advanced theoretical understanding of the subject in order to apply it appropriately to the clinical regime. ​ Each year, about one-third of the worl...

  7. Allotropic effects on the energy loss of swift H+ and He+ ion beams through thin foils

    International Nuclear Information System (INIS)

    Garcia-Molina, Rafael; Abril, Isabel; Denton, Cristian D.; Heredia-Avalos, Santiago

    2006-01-01

    We have developed a theoretical treatment and a simulation code to study the energy loss of swift H + and He + ion beams interacting with thin foils of different carbon allotropes. The former is based on the dielectric formalism, and the latter combines Monte Carlo with the numerical solution of the motion equation for each projectile to describe its trajectory and interactions through the target. The capabilities of both methods are assessed by the reasonably good agreement between their predictions and the experimental results, for a wide range of projectile energies and target characteristics. Firstly, we apply the theoretical procedure to calculate the stopping cross sections for H + and He + beams in foils of different allotropic forms of carbon (such as diamond, graphite, amorphous carbon, glassy carbon and C 60 -fullerite), as a function of the projectile energy. We take into account the electronic structure of the projectile, as well as the different charge states it can acquire, the energy loss associated to the electronic capture and loss processes, the polarization of the projectile, and a realistic description of the target. On the other hand, the simulation code is used to evaluate the energy distributions of swift H + and He + ion beams when traversing several foils of the above mentioned allotropic forms of carbon, in order to analyze the influence of the chemical and physical state of the target in the projectile energy loss. These allotropic effects are found to become more important around the maximum of the stopping cross-section

  8. Superconductive energy storage magnet study

    International Nuclear Information System (INIS)

    Rhee, S.W.

    1982-01-01

    Among many methods of energy storages the superconducting energy storage has been considered as the most promising method. Many related technical problems are still unsolved. One of the problems is the magnetizing and demagnetizing loss of superconducting coil. This loss is mainly because of hysteresis of pinning force. In this paper the hysteresis loss is calculated and field dependence of the a.c. losses is explained. The ratio of loss and stored energy is also calculated. (Author)

  9. Low energy positron diffraction from Cu(111): Importance of surface loss processes at large angles of incidence

    International Nuclear Information System (INIS)

    Lessor, D.L.; Duke, C.B.; Lippel, P.H.; Brandes, G.R.; Canter, K.F.; Horsky, T.N.

    1990-10-01

    Intensities of positrons specularly diffracted from Cu(111) were measured at the Brandeis positron beam facility and analyzed in the energy range 8eV i = 4eV. At lower energies strong energy dependences occur associated both with multiple elastic scattering phenomena within atomic layers of Cu parallel to the surface and with the thresholds of inelastic channels (e.g., plasmon creation). Use of the free electron calculation of V i shows that energy dependence of inelastic processes is necessary to obtain a satisfactory description of the absolute magnitude of the diffracted intensities below E = 50eV. Detailed comparison of the calculated and observed diffraction intensities reveals the necessity of incorporating surface loss processes explicitly into the model in order to achieve a quantitative description of the measured intensities for E 40 degree. 30 refs., 5 figs., 1 tab

  10. Technology Roadmap. Energy Loss Reduction and Recovery in Industrial Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    none,

    2004-11-01

    To help guide R&D decision-making and gain industry insights on the top opportunities for improved energy systems, ITP sponsored the Energy Loss Reduction and Recoveryin Energy Systems Roadmapping Workshopin April 2004 in Baltimore, Maryland. This Technology Roadmapis based largely on the results of the workshop and additional industrial energy studies supported by ITP and EERE. It summarizes industry feedback on the top opportunities for R&D investments in energy systems, and the potential for national impacts on energy use and the environment.

  11. Electronic energy loss spectra from mono-layer to few layers of phosphorene

    International Nuclear Information System (INIS)

    Mohan, Brij; Thakur, Rajesh; Ahluwalia, P. K.

    2016-01-01

    Using first principles calculations, electronic and optical properties of few-layers phosphorene has been investigated. Electronic band structure show a moderate band gap of 0.9 eV in monolayer phosphorene which decreases with increasing number of layers. Optical properties of few-layers of phosphorene in infrared and visible region shows tunability with number of layers. Electron energy loss function has been plotted and huge red shift in plasmonic behaviours is found. These tunable electronic and optical properties of few-layers of phosphorene can be useful for the applications of optoelectronic devices.

  12. Electronic energy loss spectra from mono-layer to few layers of phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, Brij, E-mail: brijmohanhpu@yahoo.com; Thakur, Rajesh; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla (HP) India 171005 (India)

    2016-05-23

    Using first principles calculations, electronic and optical properties of few-layers phosphorene has been investigated. Electronic band structure show a moderate band gap of 0.9 eV in monolayer phosphorene which decreases with increasing number of layers. Optical properties of few-layers of phosphorene in infrared and visible region shows tunability with number of layers. Electron energy loss function has been plotted and huge red shift in plasmonic behaviours is found. These tunable electronic and optical properties of few-layers of phosphorene can be useful for the applications of optoelectronic devices.

  13. The Generalized Multipole Technique for the Simulation of Low-Loss Electron Energy Loss Spectroscopy

    DEFF Research Database (Denmark)

    Kiewidt, Lars; Karamehmedovic, Mirza

    2018-01-01

    In this study, we demonstrate the use of a Generalized Multipole Technique (GMT) to simulate low-loss Electron Energy Loss Spectroscopy (EELS) spectra of isolated spheriodal nanoparticles. The GMT provides certain properties, such as semi-analytical description of the electromagnetic fields...

  14. Power Loss Analysis and Comparison of Segmented and Unsegmented Energy Coupling Coils for Wireless Energy Transfer.

    Science.gov (United States)

    Tang, Sai Chun; McDannold, Nathan J

    2015-03-01

    This paper investigated the power losses of unsegmented and segmented energy coupling coils for wireless energy transfer. Four 30-cm energy coupling coils with different winding separations, conductor cross-sectional areas, and number of turns were developed. The four coils were tested in both unsegmented and segmented configurations. The winding conduction and intrawinding dielectric losses of the coils were evaluated individually based on a well-established lumped circuit model. We found that the intrawinding dielectric loss can be as much as seven times higher than the winding conduction loss at 6.78 MHz when the unsegmented coil is tightly wound. The dielectric loss of an unsegmented coil can be reduced by increasing the winding separation or reducing the number of turns, but the power transfer capability is reduced because of the reduced magnetomotive force. Coil segmentation using resonant capacitors has recently been proposed to significantly reduce the operating voltage of a coil to a safe level in wireless energy transfer for medical implants. Here, we found that it can naturally eliminate the dielectric loss. The coil segmentation method and the power loss analysis used in this paper could be applied to the transmitting, receiving, and resonant coils in two- and four-coil energy transfer systems.

  15. Acute visual loss and intraretinal hemorrhages associated to energy drink consumption.

    Science.gov (United States)

    Pagano, Christina W; Wu, Max; Wu, Lihteh

    2017-12-01

    To report the association of acute visual loss secondary to intraretinal hemorrhages and energy drink consumption. Case report and literature review. A 48-year-old hypertensive man developed an elevation in systemic blood pressure, tachycardia, and acute visual loss secondary to intraretinal hemorrhages shortly after drinking several cans of energy drinks. High consumption of energy drinks may lead to intraretinal hemorrhages and acute visual loss.

  16. Energy mesh optimization for multi-level calculation schemes

    International Nuclear Information System (INIS)

    Mosca, P.; Taofiki, A.; Bellier, P.; Prevost, A.

    2011-01-01

    The industrial calculations of third generation nuclear reactors are based on sophisticated strategies of homogenization and collapsing at different spatial and energetic levels. An important issue to ensure the quality of these calculation models is the choice of the collapsing energy mesh. In this work, we show a new approach to generate optimized energy meshes starting from the SHEM 281-group library. The optimization model is applied on 1D cylindrical cells and consists of finding an energy mesh which minimizes the errors between two successive collision probability calculations. The former is realized over the fine SHEM mesh with Livolant-Jeanpierre self-shielded cross sections and the latter is performed with collapsed cross sections over the energy mesh being optimized. The optimization is done by the particle swarm algorithm implemented in the code AEMC and multigroup flux solutions are obtained from standard APOLLO2 solvers. By this new approach, a set of new optimized meshes which encompass from 10 to 50 groups has been defined for PWR and BWR calculations. This set will allow users to adapt the energy detail of the solution to the complexity of the calculation (assembly, multi-assembly, two-dimensional whole core). Some preliminary verifications, in which the accuracy of the new meshes is measured compared to a direct 281-group calculation, show that the 30-group optimized mesh offers a good compromise between simulation time and accuracy for a standard 17 x 17 UO 2 assembly with and without control rods. (author)

  17. Analytical modeling of electron energy loss spectroscopy of graphene: Ab initio study versus extended hydrodynamic model.

    Science.gov (United States)

    Djordjević, Tijana; Radović, Ivan; Despoja, Vito; Lyon, Keenan; Borka, Duško; Mišković, Zoran L

    2018-01-01

    We present an analytical modeling of the electron energy loss (EEL) spectroscopy data for free-standing graphene obtained by scanning transmission electron microscope. The probability density for energy loss of fast electrons traversing graphene under normal incidence is evaluated using an optical approximation based on the conductivity of graphene given in the local, i.e., frequency-dependent form derived by both a two-dimensional, two-fluid extended hydrodynamic (eHD) model and an ab initio method. We compare the results for the real and imaginary parts of the optical conductivity in graphene obtained by these two methods. The calculated probability density is directly compared with the EEL spectra from three independent experiments and we find very good agreement, especially in the case of the eHD model. Furthermore, we point out that the subtraction of the zero-loss peak from the experimental EEL spectra has a strong influence on the analytical model for the EEL spectroscopy data. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Classification of methods for annual energy harvesting calculations of photovoltaic generators

    International Nuclear Information System (INIS)

    Rus-Casas, C.; Aguilar, J.D.; Rodrigo, P.; Almonacid, F.; Pérez-Higueras, P.J.

    2014-01-01

    Highlights: • The paper presents a novel classification of methods for annual energy harvesting calculation of grid-connected PV systems. • The methods are classified in direct and indirect methods. • Direct methods directly calculate the energy. Indirect methods calculate the energy from the power. • The classification can help the PV professionals in order to choose the most suitable method for each application. - Abstract: Estimating the energy provided by the generators of grid-connected photovoltaic systems is important in order to analyze their economic viability and supervise their operation. The energy harvesting calculation of a photovoltaic generator is not trivial; there are a lot of methods for this calculation. The aim of this paper is to develop a novel classification of methods for annual energy harvesting calculation of a generator of a grid-connected photovoltaic system. The methods are classified in two groups: (1) those that indirectly calculate the energy, i.e. they first calculate the power and from this, they calculate the energy, and (2) those that directly calculate the energy. Furthermore, the indirect methods are grouped in two categories: those that first calculate the I–V curve of the generator and from this, they calculate the power, and those that directly calculate the power. The study has shown that the existing methods differ in simplicity and accuracy, so that the proposed classification is useful in order to choose the most suitable method for each specific application

  19. Daily pattern of energy distribution and weight loss.

    Science.gov (United States)

    Raynor, Hollie A; Li, Fan; Cardoso, Chelsi

    2018-08-01

    Timing of energy intake, a temporal dietary pattern, may enhance health. Eating a greater amount of energy earlier and a smaller amount of energy later in the day, a behavioral circadian rhythm, may assist with chronoenhancement. Chronoenhancement seeks to enhance entrainment (synchronization) of biological and behavioral circadian rhythms. In humans, research reports that eating a greater amount of energy early and a smaller amount of energy later in the day increases dietary induced thermogenesis, improves cardiometabolic outcomes, and enhances weight loss. However, little human research has examined if this eating pattern enhances regularity of biological circadian rhythm. In a randomized controlled 8-week pilot study, the influence of energy distribution timing on weight loss and regularity of sleep onset and wake times (marker for biological circadian rhythm) was examined. Within an hypocaloric, three-meal prescription, participants (n = 8) were assigned to either: 1) Morning: 50%, 30%, and 20% of kcal at breakfast, lunch, and dinner, respectively; or 2) Evening: 20%, 30%, and 50% of kcal at breakfast, lunch, and dinner, respectively. Percent weight loss and regularity of sleep onset and wake times were significantly (p energy distribution timing on health, longer studies conducted in free-living participants, with dietary intake assessed using time-stamped methods, that include measures of the circadian timing system are needed. This small review is based upon a symposium presentation at the Society of the Study of Ingestive Behavior in 2017. Copyright © 2018 Elsevier Inc. All rights reserved.

  20. Monte Carlo electron-transport calculations for clinical beams using energy grouping

    Energy Technology Data Exchange (ETDEWEB)

    Teng, S P; Anderson, D W; Lindstrom, D G

    1986-01-01

    A Monte Carlo program has been utilized to study the penetration of broad electron beams into a water phantom. The MORSE-E code, originally developed for neutron and photon transport, was chosen for adaptation to electrons because of its versatility. The electron energy degradation model employed logarithmic spacing of electron energy groups and included effects of elastic scattering, inelastic-moderate-energy-loss-processes and inelastic-large-energy-loss-processes (catastrophic). Energy straggling and angular deflections were modeled from group to group, using the Moeller cross section for energy loss, and Goudsmit-Saunderson theory to describe angular deflections. The resulting energy- and electron-deposition distributions in depth were obtained at 10 and 20 MeV and are compared with ETRAN results and broad beam experimental data from clinical accelerators.

  1. Thermodynamic calculation of a district energy cycle

    International Nuclear Information System (INIS)

    Hoehlein, B.; Bauer, A.; Kraut, G.; Scherberich, F.D.

    1975-08-01

    This paper presents a calculation model for a nuclear district energy circuit. Such a circuit means the combination of a steam reforming plant with heat supply from a high-temperature nuclear reactor and a methanation plant with heat production for district heating or electricity production. The model comprises thermodynamic calculations for the endothermic methane reforming reaction as well as the exothermic CO-hydrogenation in adiabatic reactors and allows the optimization of the district energy circuit under consideration. (orig.) [de

  2. Optimal Allocation of Renewable Energy Sources for Energy Loss Minimization

    Directory of Open Access Journals (Sweden)

    Vaiju Kalkhambkar

    2017-03-01

    Full Text Available Optimal allocation of renewable distributed generation (RDG, i.e., solar and the wind in a distribution system becomes challenging due to intermittent generation and uncertainty of loads. This paper proposes an optimal allocation methodology for single and hybrid RDGs for energy loss minimization. The deterministic generation-load model integrated with optimal power flow provides optimal solutions for single and hybrid RDG. Considering the complexity of the proposed nonlinear, constrained optimization problem, it is solved by a robust and high performance meta-heuristic, Symbiotic Organisms Search (SOS algorithm. Results obtained from SOS algorithm offer optimal solutions than Genetic Algorithm (GA, Particle Swarm Optimization (PSO and Firefly Algorithm (FFA. Economic analysis is carried out to quantify the economic benefits of energy loss minimization over the life span of RDGs.

  3. Energy-Efficiency Options for Insurance Loss Prevention

    Energy Technology Data Exchange (ETDEWEB)

    Mills, E. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States). Environmental Energy Technologies Div.; Knoepfel, I. [Swiss Reinsurance Co., Zurich (Switzerland)

    1997-06-09

    Energy-efficiency improvements offer the insurance industry two areas of opportunity: reducing ordinary claims and avoiding greenhouse gas emissions that could precipitate natural disaster losses resulting from global climate change. We present three vehicles for taking advantage of this opportunity, including research and development, in- house energy management, and provision of key information to insurance customers and risk managers. The complementary role for renewable energy systems is also introduced.

  4. Simple method for calculation of heat loss through floor/beam-wall intersections according to ISO 9164

    International Nuclear Information System (INIS)

    Dilmac, Sukran; Guner, Abdurrahman; Senkal, Filiz; Kartal, Semiha

    2007-01-01

    The international standards for calculation of energy consumption for heating are ISO 9164 and EN 832. Although they are based on similar principles, there are significant differences in the calculation procedure of transmission heat loss coefficient, H T , especially in the evaluation of thermal bridges. The calculation of H T and the way thermal bridges are to be taken into consideration are explained in detail in EN 832 and in a series of other linked standards. In ISO 9164, the parameters used in the relevant equations are cited, but there is a lack of explanation about how they will be determined or calculated. Although in ISO 6946-2, the earlier version of the same standard, the calculation methods of these quantities were explained for column-wall intersections; in the revised ISO 6946, these explanations have been removed. On the other hand, these parameters had never been defined for floor/beam-wall intersections. In this paper, a new method is proposed for calculation of the parameters cited in ISO 9164 for floor/beam-wall intersections. The results obtained by the proposed method for typical floor with beam sections are compared with the results obtained by the methods stated in EN 832/EN 13789/EN ISO 14683 and the results obtained from 2D analysis. Different methods are evaluated as to their simplicity and agreement

  5. Energy loss and straggling of MeV ions through biological samples

    International Nuclear Information System (INIS)

    Ma Lei; Wang Yugang; Xue Jianming; Chen Qizhong; Zhang Weiming; Zhang Yanwen

    2007-01-01

    Energy loss and energy straggling of energetic ions through natural dehydrated biological samples were investigated using transmission technique. Biological samples (onion membrane, egg coat, and tomato coat) with different mass thickness were studied, together with Mylar for comparison. The energy loss and energy straggling of MeV H and He ions after penetrating the biological and Mylar samples were measured. The experimental results show that the average energy losses of MeV ions through the biological samples are consistent with SRIM predictions; however, large deviation in energy straggling is observed between the measured results and the SRIM predictions. Taking into account inhomogeneity in mass density and structure of the biological sample, an energy straggling formula is suggested, and the experimental energy straggling values are well predicted by the proposed formula

  6. High-resolution monochromated electron energy-loss spectroscopy of organic photovoltaic materials.

    Science.gov (United States)

    Alexander, Jessica A; Scheltens, Frank J; Drummy, Lawrence F; Durstock, Michael F; Hage, Fredrik S; Ramasse, Quentin M; McComb, David W

    2017-09-01

    Advances in electron monochromator technology are providing opportunities for high energy resolution (10 - 200meV) electron energy-loss spectroscopy (EELS) to be performed in the scanning transmission electron microscope (STEM). The energy-loss near-edge structure in core-loss spectroscopy is often limited by core-hole lifetimes rather than the energy spread of the incident illumination. However, in the valence-loss region, the reduced width of the zero loss peak makes it possible to resolve clearly and unambiguously spectral features at very low energy-losses (photovoltaics (OPVs): poly(3-hexlythiophene) (P3HT), [6,6] phenyl-C 61 butyric acid methyl ester (PCBM), copper phthalocyanine (CuPc), and fullerene (C 60 ). Data was collected on two different monochromated instruments - a Nion UltraSTEM 100 MC 'HERMES' and a FEI Titan 3 60-300 Image-Corrected S/TEM - using energy resolutions (as defined by the zero loss peak full-width at half-maximum) of 35meV and 175meV, respectively. The data was acquired to allow deconvolution of plural scattering, and Kramers-Kronig analysis was utilized to extract the complex dielectric functions. The real and imaginary parts of the complex dielectric functions obtained from the two instruments were compared to evaluate if the enhanced resolution in the Nion provides new opto-electronic information for these organic materials. The differences between the spectra are discussed, and the implications for STEM-EELS studies of advanced materials are considered. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Data Acquisition System for Electron Energy Loss Coincident Spectrometers

    International Nuclear Information System (INIS)

    Zhang Chi; Yu Xiaoqi; Yang Tao

    2005-01-01

    A Data Acquisition System (DAQ) for electron energy loss coincident spectrometers (EELCS) has been developed. The system is composed of a Multiplex Time-Digital Converter (TDC) that measures the flying time of positive and negative ions and a one-dimension position-sensitive detector that records the energy loss of scattering electrons. The experimental data are buffered in a first-in-first-out (FIFO) memory module, then transferred from the FIFO memory to PC by the USB interface. The DAQ system can record the flying time of several ions in one collision, and allows of different data collection modes. The system has been demonstrated at the Electron Energy Loss Coincident Spectrometers at the Laboratory of Atomic and Molecular Physics, USTC. A detail description of the whole system is given and experimental results shown

  8. Energy loss to parasitic modes of accelerating cavities

    International Nuclear Information System (INIS)

    Sands, M.

    1974-01-01

    At the maximum stored current, each circulating beam in PEP will consist of three bunches, each about 10 cm long containing 1.5 /times/ 10 12 particles. The large electric charge carried by such a bunch (2.5 /times/ 10/sup /minus/7/ coulomb) will, because of its short length, give rise to a large transient excitation of hundreds of parasitic modes in the accelerating cavities. The energy loss of the stored beam to the cavities from this process may be comparable to the loss to synchrotron radiation, and may, therefore, require a significant increase in power from the accelerating rf system. In this note I considered three aspects of this effect. First, an attempt is made to estimate the magnitude of the energy loss of a bunch in a single passage through the accelerating cavities. Then, I consider the effects of the periodic passages of the bunches in a single stored beam. And finally, I look at the consequences of storing two counter-rotating beams. The general conclusions are that the magnitude energy loss to the parasitic modes is serious, though probably not disastrous; and that, in general, the separate stored bunches will act incoherently. 2 refs., 7 figs

  9. Measurement and Calculation of Frictional Loss in Large Two-Stroke Engines

    DEFF Research Database (Denmark)

    Vølund, Anders

    2003-01-01

    The total frictional loss in a large two-stroke marine diesel engine is rather well determined. However, the contribution (size and distribution) from the different machine elements are not well known. The aim of this study is to establish methods to measure and calculate friction in the piston...... assembly and guide shoe system for a large two-stroke marine diesel engine. These components are the two major contributors to the total friction in a two-stroke marine diesel engine. The piston pack represents approximately 60% of the total mechanical loss at full load and the guide shoe system 23...

  10. Implementation and adaptation of a macro-scale methodology to calculate direct economic losses

    Science.gov (United States)

    Natho, Stephanie; Thieken, Annegret

    2017-04-01

    As one of the 195 member countries of the United Nations, Germany signed the Sendai Framework for Disaster Risk Reduction 2015-2030 (SFDRR). With this, though voluntary and non-binding, Germany agreed to report on achievements to reduce disaster impacts. Among other targets, the SFDRR aims at reducing direct economic losses in relation to the global gross domestic product by 2030 - but how to measure this without a standardized approach? The United Nations Office for Disaster Risk Reduction (UNISDR) has hence proposed a methodology to estimate direct economic losses per event and country on the basis of the number of damaged or destroyed items in different sectors. The method bases on experiences from developing countries. However, its applicability in industrial countries has not been investigated so far. Therefore, this study presents the first implementation of this approach in Germany to test its applicability for the costliest natural hazards and suggests adaptations. The approach proposed by UNISDR considers assets in the sectors agriculture, industry, commerce, housing, and infrastructure by considering roads, medical and educational facilities. The asset values are estimated on the basis of sector and event specific number of affected items, sector specific mean sizes per item, their standardized construction costs per square meter and a loss ratio of 25%. The methodology was tested for the three costliest natural hazard types in Germany, i.e. floods, storms and hail storms, considering 13 case studies on the federal or state scale between 1984 and 2016. Not any complete calculation of all sectors necessary to describe the total direct economic loss was possible due to incomplete documentation. Therefore, the method was tested sector-wise. Three new modules were developed to better adapt this methodology to German conditions covering private transport (cars), forestry and paved roads. Unpaved roads in contrast were integrated into the agricultural and

  11. Calculating the share of process energy consumed by biomass conversion plants. Bestimmung der Anteile der Prozessenergie bei einer Biogasanlage

    Energy Technology Data Exchange (ETDEWEB)

    Goebel, W

    1984-06-01

    During the winter season the process energy consumption of biomass conversion plants is relatively high. Apart from the quantity and temperature of manures and insulation of the fermentation tank the process energy consumption depends on the efficiency of the heating system. Moreover, heat losses decide on the required quantities of process energy. Compared with the process energy consumption the electric power consumption of the engines supplying the biomass conversion plant is relatively low. Along with calculations tests and measurements in a biomass conversion plant during the winter season of 1981/1982 give access to the interrelation between process energy and electric power consumption.

  12. Low-maintenance energy requirements of obese dogs after weight loss.

    Science.gov (United States)

    German, Alexander J; Holden, Shelley L; Mather, Nicola J; Morris, Penelope J; Biourge, Vincent

    2011-10-01

    Weight rebound after successful weight loss is a well-known phenomenon in humans and dogs, possibly due to the fact that energy restriction improves metabolic efficiency, reducing post-weight-loss maintenance energy requirements (MER). The aim of the present study was to estimate post-weight-loss MER in obese pet dogs that had successfully lost weight and did not subsequently rebound. A total of twenty-four obese dogs, successfully completing a weight management programme at the Royal Canin Weight Management Clinic, University of Liverpool (Wirral, UK), were included. In all dogs, a period of >14 d of stable weight ( lean tissue lost was negatively associated with post-weight-loss MER. MER are low after weight loss in obese pet dogs (typically only 10 % more than required during weight-loss MER), which has implications for what should constitute the optimal diet during this period. Preserving lean tissue during weight loss may maximise post-weight-loss MER and help prevent rebound.

  13. Electrical energy prices and losses respect to Turkish social-economic situations

    International Nuclear Information System (INIS)

    Berktay, Ali; Demirbas, Ayhan; Kocak, Saim; Nas, Bilgehan

    2004-01-01

    Electricity is a basic part of nature and it is one of the most widely used forms of energy. Electricity, which is a secondary energy source, can be generated from the conversion of other sources of energy, such as coal, natural gas, oil, nuclear power and renewable resources. Electricity prices have a deep impact on the competitiveness of a country's industry. Some electricity losses may occur during the process of transmission and distribution from generators to consumers. Generally there are two types of losses, one is technical losses which cover transmission losses and the other is non-technical losses including distribution losses and the incidence of illegal usage. The aim of this paper is to present the electricity usage and prices and is also to focus on the electricity losses occur both technical and non-technical means. An 'electricity losses map' was produced to illustrate the electricity losses. For this purpose, a vector based Geographic Information System (GIS) software package Arc GIS 8.3 was employed to map the data. The rate of losses within the electricity provided to the national network was about 19% in Turkey. The incidence of illegal usage and hence the rate of non-technical losses could be reduced dramatically through establishing regular action. (Author)

  14. Depth sectioning using electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    D'Alfonso, A J; Findlay, S D; Allen, L J; Cosgriff, E C; Kirkland, A I; Nellist, P D; Oxley, M P

    2008-01-01

    The continued development of electron probe aberration correctors for scanning transmission electron microscopy has enabled finer electron probes, allowing atomic resolution column-by-column electron energy loss spectroscopy. Finer electron probes have also led to a decrease in the probe depth of focus, facilitating optical slicing or depth sectioning of samples. The inclusion of post specimen aberration corrected image forming lenses allows for scanning confocal electron microscopy with further improved depth resolution and selectivity. We show that in both scanning transmission electron microscopy and scanning confocal electron microscopy geometries, by performing a three dimensional raster scan through a specimen and detecting electrons scattered with a characteristic energy loss, it will be possible to determine the location of isolated impurities embedded within the bulk.

  15. Rotating gravity currents. Part 1. Energy loss theory

    Science.gov (United States)

    Martin, J. R.; Lane-Serff, G. F.

    2005-01-01

    A comprehensive energy loss theory for gravity currents in rotating rectangular channels is presented. The model is an extension of the non-rotating energy loss theory of Benjamin (J. Fluid Mech. vol. 31, 1968, p. 209) and the steady-state dissipationless theory of rotating gravity currents of Hacker (PhD thesis, 1996). The theory assumes the fluid is inviscid, there is no shear within the current, and the Boussinesq approximation is made. Dissipation is introduced using a simple method. A head loss term is introduced into the Bernoulli equation and it is assumed that the energy loss is uniform across the stream. Conservation of momentum, volume flux and potential vorticity between upstream and downstream locations is then considered. By allowing for energy dissipation, results are obtained for channels of arbitrary depth and width (relative to the current). The results match those from earlier workers in the two limits of (i) zero rotation (but including dissipation) and (ii) zero dissipation (but including rotation). Three types of flow are identified as the effect of rotation increases, characterized in terms of the location of the outcropping interface between the gravity current and the ambient fluid on the channel boundaries. The parameters for transitions between these cases are quantified, as is the detailed behaviour of the flow in all cases. In particular, the speed of the current can be predicted for any given channel depth and width. As the channel depth increases, the predicted Froude number tends to surd 2, as for non-rotating flows.

  16. Cohesion energy calculations for ternary ionic novel crystals

    International Nuclear Information System (INIS)

    Vazquez P, G.; Cabrera, E.; Mijangos, R.R.; Valdez, E.; Duarte, C.

    2001-01-01

    The present work calculates the value of the link energy of a crystalline ternary structure newly formed by alkali halides. The ternary structure prepared with different concentrations of KCl x KBrRbCl 2 maintains a very good miscibility and stability. The calculation is based on the use of a generalization of the Vegard law (which generally is valid for binary compounds) for calculating the values of the lattice constant and the repulsive m exponent. The value of the lattice parameter given by X-ray diffractometry agrees with the close approximation of the calculated value of the method used. It also compares the value of energy cohesion obtained by the Born expression with more complex approximations. (Author)

  17. Energy loss straggling in Aluminium foils for Li and C ions in fractional energy loss limits (ΔE/E) ∼10-60%

    Science.gov (United States)

    Diwan, P. K.; Kumar, Sunil; Kumar, Shyam; Sharma, V.; Khan, S. A.; Avasthi, D. K.

    2016-02-01

    The energy loss straggling of Li and C ions in Al foils of various thicknesses has been measured, within the fractional energy loss limit (∆E/E) ∼ 10-60%. These measurements have been performed using the 15UD Pelletron accelerator facility available at Inter University Accelerator Centre (IUAC), New Delhi, India. The measured straggling values have been compared with the corresponding predicted values adopting popularly used collisional straggling formulations viz Bohr, Lindhard and Scharff, Bethe-Livingston, Titeica. In addition, the experimental data has been compared to the Yang et al. empirical formula and Close Form Model, recently proposed by Montanari et al. The straggling values derived by Titeica theory were found to be in better agreement with the measured values as compared to other straggling formulations. The charge-exchange straggling component has been estimated from the measured data based on Titeica's theory. Finally, a function of the ion effective charge and the energy loss fraction within the target has been fitted to the latter straggling component.

  18. THREE-PHASE ENERGY SUPPLY SYSTEMS SIMULATION FOR THE TOTAL POWER LOSSES COMPONENTS ASSESSMENT

    Directory of Open Access Journals (Sweden)

    D.V. Tugay

    2016-09-01

    Full Text Available Purpose. The goal is to optimize a structure of Matlab-model of the three-phase energy supply system with power active filter. The mathematical model that describes the energy supply system modes of operation which contains additional losses is proposed. Methodology. We have applied concepts of the electrical circuits theory, mathematical modeling elements based on linear algebra and vector calculus, mathematical simulation in Matlab package. Results. We have developed two models of three-phase energy supply system. The first one is based on a vector representation, and the second one on the matrix representation of energy processes. Using these models we have solved the problem of maintaining unchanged the average useful power for 279 cases of energy supply system modes of operation. Originality. We have developed methods of mathematical analysis of a three-phase energy supply systems with polyharmonic voltages and currents in the symmetric and asymmetric modes. Practical value. We have created Matlab-model of a three-phase energy supply system with automated calculation of a correction factor. It allows reducing more than one order the time for energy processes elucidation in multiphase systems.

  19. Coherence in electron energy loss spectrometry

    International Nuclear Information System (INIS)

    Schattschneider, P.; Werner, W.S.M.

    2005-01-01

    Coherence effects in electron energy loss spectrometry (EELS) and in energy filtering are largely neglected although they occur frequently due to Bragg scattering in crystals. We discuss how coherence in the inelastically scattered wave field can be described by the mixed dynamic form factor (MDFF), and how it relates to the density matrix of the scattered electrons. Among the many aspects of 'inelastic coherence' are filtered high-resolution images, dipole-forbidden transitions, coherence in plasma excitations, errors in chemical microanalysis, coherent double plasmons, and circular dichroism

  20. Cost Allocation of Transmission Losses in Electric Market Mechanism

    Directory of Open Access Journals (Sweden)

    Erwin Dermawan

    2012-06-01

    Full Text Available This paper proposes a new method to calculate cost allocation of transmission losses (losses, based on a certain price of energy (i.e. a marginal price of system. Here is developed a mathematic model through manipulating of the network equation to separate losses. This model uses complex power injection and, does not use approximations and assumptions in determining the cost allocation of losses. Its calculation begins from the results of load flow calculation and then is continued to calculate power distribution from a generator to every load and every line. Finally, to be calculated separating of losses and cost allocation of losses. The proposed method is easy to be understood and applied. An illustration results on IEEE 14-bus system show that the method is always consistent with expectancies and somewhat different with a few reference methods.

  1. The impact of cell culture equipment on energy loss.

    Science.gov (United States)

    Davies, Lleucu B; Kiernan, Michael N; Bishop, Joanna C; Thornton, Catherine A; Morgan, Gareth

    2014-01-01

    Light energy of discrete wavelengths supplied via lasers and broadband intense pulsed light have been used therapeutically for many years. In vitro models complement clinical studies, especially for the elucidation of underlying mechanisms of action. Clarification that light energy reaches the cells is necessary when developing protocols for the treatment of cells using in vitro models. Few studies report on energy loss in cell culture equipment. The ability of energy from light with therapeutic potential to reach cells in culture needs to be determined; this includes determining the proportion of light energy lost within standard cell culture media and cell culture vessels. The energy absorption of cell culture media, with/without the pH indicator dye phenol red, and the loss of energy within different plastics and glassware used typically for in vitro cell culture were investigated using intense pulsed light and a yellow pulsed dye laser. Media containing phenol red have a distinctive absorption peak (560 nm) absent in phenol red-free media and restored by the addition of phenol red. For both light sources, energy loss was lowest in standard polystyrene tissue culture flasks or multi-well plates and highest in polypropylene vessels or glass tubes. The effects of phenol red-free media on the absorption of energy varied with the light source used. Phenol red-free media are the media of choice; polystyrene vessels with flat surfaces such as culture flasks or multi-well plates should be used in preference to polypropylene or glass vessels.

  2. Full charge-density calculation of the surface energy of metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

    1994-01-01

    of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

  3. Bremsstrahlung spectra from thick-target electron beams with noncollisional energy losses

    International Nuclear Information System (INIS)

    Brown, J.C.; MacKinnon, A.L.

    1985-01-01

    We consider what can be learned from the bremsstrahlung radiation of fast electrons in a thick target, generalized to include electron energy losses additional to collisions. We show that the observed photon spectrum can, in principle, be inverted to yield an integral functional of the electron spectrum and the effective energy loss rate. In the light of this result, there seems no reason to suppose, in the absence of a priori information to the contrary, that the photon spectrum is symptomatic more of the fast electron distribution than of the energy loss processes. In cases where the electron injection spectrum is known on independent observational or theoretical grounds, it is possible to infer an effective, ''phenomenological'' energy loss function. In the more general case, however, fullest possible modeling of the physical situation and comparison of the resulting spectrum with observations is all that can be attempted

  4. Energy Level Tuning of Poly(phenylene-alt-dithienobenzothiadiazole)s for Low Photon Energy Loss Solar Cells.

    Science.gov (United States)

    Heuvel, Ruurd; van Franeker, Jacobus J; Janssen, René A J

    2017-03-01

    Six poly(phenylene- alt -dithienobenzothiadiazole)-based polymers have been synthesized for application in polymer-fullerene solar cells. Hydrogen, fluorine, or nitrile substitution on benzo-thiadiazole and alkoxy or ester substitution on the phenylene moiety are investigated to reduce the energy loss per converted photon. Power conversion efficiencies (PCEs) up to 6.6% have been obtained. The best performance is found for the polymer-fullerene combination with distinct phase separation and crystalline domains. This improves the maximum external quantum efficiency for charge formation and collection to 66%. The resulting higher photocurrent compensates for the relatively large energy loss per photon ( E loss = 0.97 eV) in achieving a high PCE. By contrast, the poly-mer that provides a reduced energy loss ( E loss = 0.49 eV) gives a lower photocurrent and a reduced PCE of 1.8% because the external quantum efficiency of 17% is limited by a suboptimal morphology and a reduced driving force for charge transfer.

  5. Multicavity SCRF calculation of ion hydration energies

    International Nuclear Information System (INIS)

    Diercksen, B.H.F.; Karelson, M.; Tamm, T.

    1994-01-01

    The hydration energies of the proton, hydroxyl ion, and several inorganic ions were calculated using the multicavity self-consistent reaction field (MCa SCRF) method developed for the quantum-mechanical modeling of rotationally or flexible systems in dielectric media. The ionic complexes H 3 O + (H2O) 4 , OH - (H2O) 4 , NH + 4 (H2O) 4 , and Hal - (H2O) 4 , where Hal = F, Cl, or Br, have been studied. Each complex was divided between five spheres, corresponding to the central ion and four water molecules in their first coordination sphere, respectively. Each cavity was surrounded by a polarizable medium with the dielectric permittivity of water at room temperature (80). The ionic hydration energies of ions were divided into specific and nonspecific parts. After accounting for the cavity-formation energy using scaled particle theory, good agreement between the total calculated and experimental hydration energies was obtained for all ions studied

  6. Virial-statistic method for calculation of atom and molecule energies

    International Nuclear Information System (INIS)

    Borisov, Yu.A.

    1977-01-01

    A virial-statistical method has been applied to the calculation of the atomization energies of the following molecules: Mo(CO) 6 , Cr(CO) 6 , Fe(CO) 5 , MnH(CO) 5 , CoH(CO) 4 , Ni(CO) 4 . The principles of this method are briefly presented. Calculation results are given for the individual contributions to the atomization energies together with the calculated and experimental atomization energies (D). For the Mo(CO) 6 complex Dsub(calc) = 1759 and Dsub(exp) = 1763 kcal/mole. Calculated and experimental combination heat values for carbonyl complexes are presented. These values are shown to be adequately consistent [ru

  7. Calculation of the band gap energy of ionic crystals

    International Nuclear Information System (INIS)

    Aguado, A.; Lopez, J.M.; Alonso, J.A.; Ayuela, A.; Rivas S, J.F.; Berrondo, M.

    1998-01-01

    The band gap of alkali halides, alkaline-earth oxides, Al 2 O 3 and SiO 2 crystals has been calculated using the perturbed-ion model supplemented with some assumptions for the treatment of excited states. The gap is calculated in several ways: as a difference between one-electron energy eigenvalues and as a difference between the total energies of appropriate electronic states of the crystal, both at the HF level and with inclusion of Coulomb correlation effects. The results compare well with experimental band gap energies and with other theoretical calculations, suggesting that the picture of bonding and excitation given by the model can be useful in ionic materials. (Author)

  8. Proton channeling in Au at low energies

    International Nuclear Information System (INIS)

    Valdes, J.E.; Vargas, P.

    1996-01-01

    The electronic energy loss for low velocity protons channeled in the direction single crystal Au is calculated. The spatial distribution of valence electronic density in Au is calculated using Tight Binding Linear Muffin Tin Method. The proton trajectories are determined by numerical integration of the classical motion equation, and the energy loss is evaluated using the calculated valence electronic density in the friction term. The results allow to describe qualitatively the non linear behavior of energy loss with ion velocity observed experimentally. (author)

  9. Study of high energy ion loss during hydrogen minority heating in TFTR

    International Nuclear Information System (INIS)

    Park, J.; Zweben, S.J.

    1994-03-01

    High energy ion loss during hydrogen minority ICRF heating is measured and compared with the loss of the D-D fusion products. During H minority heating a relatively large loss of high energy ions is observed at 45 degrees below the outer midplane, with or without simultaneous NBI heating. This increase is most likely due to a loss of the minority tail protons, a possible model for this process is described

  10. Low-energy levels calculation for 193Ir

    International Nuclear Information System (INIS)

    Zahn, Guilherme Soares; Zamboni, Cibele Bugno; Genezini, Frederico Antonio; Mesa-Hormaza, Joel; Cruz, Manoel Tiago Freitas da

    2006-01-01

    In this work, a model based on single particle plus pairing residual interaction was used to study the low-lying excited states of the 193 Ir nucleus. In this model, the deformation parameters in equilibrium were obtained by minimizing the total energy calculated by the Strutinsky prescription; the macroscopic contribution to the potential was taken from the Liquid Droplet Model, with the shell and paring corrections used as as microscopic contributions. The nuclear shape was described using the Cassinian ovoids as base figures; the single particle energy spectra and wave functions for protons and neutrons were calculated in a deformed Woods-Saxon potential, where the parameters for neutrons were obtained from the literature and the parameters for protons were adjusted in order to describe the main sequence of angular momentum and parity of the band heads, as well as the proton binding energy of 193 Ir. The residual pairing interaction was calculated using the BCS prescription with Lipkin-Nogami approximation. The results obtained for the first three band heads (the 3/2 + ground state, the 1/2 + excited state at E ∼ 73 keV and the the 11/2 - isomeric state at E ∼ 80 keV) showed a very good agreement, but the model so far greatly overestimated the energy of the next band head, a 7/2 - at E ∼ 299 keV. (author)

  11. Electron emission and energy loss in grazing collisions of protons with insulator surfaces

    International Nuclear Information System (INIS)

    Gravielle, M. S.; Miraglia, J. E.; Aldazabal, I.; Arnau, A.; Ponce, V. H.; Aumayr, F.; Lederer, S.; Winter, H.

    2007-01-01

    Electron emission from LiF, KCl, and KI crystal surfaces during grazing collisions of swift protons is studied using a first-order distorted-wave formalism. Owing to the localized character of the electronic structure of these surfaces, we propose a model that allows us to describe the process as a sequence of atomic transitions from different target ions. Experimental results are presented for electron emission from LiF and KI and energy loss from KI surfaces. Calculations show reasonable agreement with these experimental data. The role played by the charge of the incident particle is also investigated

  12. Plasma neutrino energy loss due to the axial-vector current at the late stages of stellar evolution

    International Nuclear Information System (INIS)

    Liu Jingjing

    2009-01-01

    Based on the Weinberg-Salam theory, the plasma neutrino energy loss rates of vector and axial-vector contributions are studied. A ratable factor of the rates from the axial-vector current relative to those of the total neutrino energy loss rates is accurately calculated. The results show that the ratable factor will reach a maximum of 0.95 or even more at relatively higher temperature and lower density (such as ρ/μ e 7 g/cm 3 ). Thus the rates of the axial-vector contribution cannot be neglected. On the other hand, the rates of the axial-vector contribution are on the order of ∼0.01% of the total vector contribution, which is in good agreement with Itoh's at relatively high density (such as ρ/μ e > 10 7 g/cm 3 ) and a temperature of T≤10 11 K. (authors)

  13. 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

  14. Multiple parton scattering in nuclei: heavy quark energy loss and modified fragmentation functions

    International Nuclear Information System (INIS)

    Zhang Benwei; Wang, Enke; Wang Xinnian

    2005-01-01

    Multiple scattering, induced radiative energy loss and modified fragmentation functions of a heavy quark in nuclear matter are studied within the framework of generalized factorization in perturbative QCD. Modified heavy quark fragmentation functions and energy loss are derived in detail with illustration of the mass dependencies of the Landau-Pomeranchuk-Migdal interference effects and heavy quark energy loss. Due to the quark mass dependence of the gluon formation time, the nuclear size dependencies of nuclear modification of the heavy quark fragmentation function and heavy quark energy loss are found to change from a linear to a quadratic form when the initial energy and momentum scale are increased relative to the quark mass. The radiative energy loss of the heavy quark is also significantly suppressed due to limited cone of gluon radiation imposed by the mass. Medium modification of the heavy quark fragmentation functions is found to be limited to the large z region due to the form of heavy quark fragmentation functions in vacuum

  15. Vicinage effects in energy loss and electron emission during grazing scattering of heavy molecular ions from a solid surface

    International Nuclear Information System (INIS)

    Song Yuanhong; Wang Younian; Miskovic, Z.L.

    2005-01-01

    Vicinage effects in the energy loss and the electron emission spectra are studied in the presence of Coulomb explosion of swift, heavy molecular ions, during their grazing scattering from a solid surface. The dynamic response of the surface is treated by means of the dielectric theory within the specular reflection model using the plasmon pole approximation for the bulk dielectric function, whereas the angle-resolved energy spectra of the electrons emitted from the surface are obtained on the basis of the first-order, time-dependent perturbation theory. The evolution of the charge states of the constituent ions in the molecule during scattering is described by a nonequilibrium extension of the Brandt-Kitagawa model. The molecule scattering trajectories and the corresponding Coulomb explosion dynamics are evaluated for the cases of the internuclear axis being either aligned in the beam direction or randomly oriented in the directions parallel to the surface. Our calculations show that the vicinage effect in the energy loss is generally weaker for heavy molecules than for light molecules. In addition, there is clear evidence of the negative vicinage effect in both the energy loss and the energy spectra of the emitted electrons for molecular ions at lower speeds and with the axis aligned in the direction of motion

  16. Energy Loss of Gluons, Baryons and k-Quarks in an N=4 SYM Plasma

    OpenAIRE

    Chernicoff, Mariano; Guijosa, Alberto

    2006-01-01

    We consider different types of external color sources that move through a strongly-coupled thermal N=4 super-Yang-Mills plasma, and calculate, via the AdS/CFT correspondence, the dissipative force (or equivalently, the rate of energy loss) they experience. A bound state of k quarks in the totally antisymmetric representation is found to feel a force with a nontrivial k-dependence. Our result for k=1 (or k=N-1) agrees at large N with the one obtained recently by Herzog et al. and Gubser, but c...

  17. Calculating Casimir energies in renormalizable quantum field theory

    International Nuclear Information System (INIS)

    Milton, Kimball A.

    2003-01-01

    Quantum vacuum energy has been known to have observable consequences since 1948 when Casimir calculated the force of attraction between parallel uncharged plates, a phenomenon confirmed experimentally with ever increasing precision. Casimir himself suggested that a similar attractive self-stress existed for a conducting spherical shell, but Boyer obtained a repulsive stress. Other geometries and higher dimensions have been considered over the years. Local effects, and divergences associated with surfaces and edges were studied by several authors. Quite recently, Graham et al. have reexamined such calculations, using conventional techniques of perturbative quantum field theory to remove divergences, and have suggested that previous self-stress results may be suspect. Here we show that the examples considered in their work are misleading; in particular, it is well known that in two space dimensions a circular boundary has a divergence in the Casimir energy for massless fields, while for general spatial dimension D not equal to an even integer the corresponding Casimir energy arising from massless fields interior and exterior to a hyperspherical shell is finite. It has also long been recognized that the Casimir energy for massive fields is divergent for curved boundaries. These conclusions are reinforced by a calculation of the relevant leading Feynman diagram in D and in three dimensions. There is therefore no doubt of the validity of the conventional finite Casimir calculations

  18. Inelastic collisions of atomic particles at mean energies. Pt.1. Qualitative model of energy losses during a collision

    International Nuclear Information System (INIS)

    Pustovit, A.N.

    2005-01-01

    A new approach is proposed for description of the energy losses of mean-energy atomic particles during their interactions with atomic particles of solids. It is shown that all these interactions are inelastic ones and are determined by different scattering zones with different laws of energy loss dependences [ru

  19. Calculated stacking-fault energies of elemental metals

    DEFF Research Database (Denmark)

    Rosengaard, N. M.; Skriver, Hans Lomholt

    1993-01-01

    -sphere approximations. The results are in excellent agreement with recent layer Korringa-Kohn-Rostoker Green's-function calculations where stacking-fault energies for Ni, Cu, Rh, Pd, Ag, Ir, and Au were found by means of the the so-called force theorem. We find that the self-consistent fault energies for all the metals...

  20. Understanding energy loss in parallelly connected microbial fuel cells: Non-Faradaic current.

    Science.gov (United States)

    An, Junyeong; Sim, Junyoung; Feng, Yujie; Lee, Hyung-Sool

    2016-03-01

    In this work, the mechanisms of energy loss in parallel connection of microbial fuel cells (MFCs) is explored using two MFC units producing different open circuit voltage (OCV) and current. In open circuit mode, non-Faradaic current flows in low OCV unit, implying energy loss caused by different OCVs in parallelly stacked MFCs. In a stacked MFC in parallel under close circuit mode, it is confirmed that energy loss occurs until the working voltage in high OCV unit becomes identical to the other unit having low OCV. This result indicates that different voltage between individual MFC units can cause energy loss due to both non-Faradic and Faradaic current that flow from high voltage unit to low voltage unit even in parallelly stacked MFCs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. A novel estimation of electrical and cooling losses in electric arc furnaces

    International Nuclear Information System (INIS)

    Trejo, Eder; Martell, Fernando; Micheloud, Osvaldo; Teng, Lidong; Llamas, Armando; Montesinos-Castellanos, Alejandro

    2012-01-01

    A method to calculate electrical losses and a heat transfer model of a conventional Electric Arc Furnace (EAF) are presented. The application of a novel power theory for the EAF was used to compute electrical losses and it was compared with conventional power calculations. The electrical losses and electrical variables were used as input parameters to the proposed heat transfer model. Chemical energy sources were included as energy inputs to estimate the overall heat transferred including the heat losses in the cooling system. In the heat transfer model the furnace was divided in 11 inner surfaces and the radiation view factors between them were estimated by a commercial finite element software. Variations of the view factors for different arc coverage were evaluated. Different scenarios for cooling panels losses, with respect to arc coverage and thickness of slag layers adhered to cooling system panels, were analyzed. The approach presented in this work allows calculation of energy balances in electrical arc furnaces with low computational resources. Finally, the contribution of this research work is to define a framework for further research oriented to improve both the electrical and thermal energy efficiencies to increase productivity and reduce energy consumption in steel plants. -- Highlights: ► Radiation view factors for the electric arc furnace are estimated. ► Potential reduction in cooling losses is estimated to be 60 kWh/ton. ► Electrical losses are calculated based in the randomness power theory. ► The new approach yields an increase of 10% in the electrical losses. ► An analytic model is used to estimate the radiation mechanism.

  2. The effects of electron transfer on the energy loss of slow He2+, C2+, and C4+ ions penetrating a graphene fragment

    International Nuclear Information System (INIS)

    Mao, Fei; Zhang, Chao; Gao, Cong-Zhang; Dai, Jinxia; Zhang, Feng-Shou

    2014-01-01

    Electronic energy loss in the collision processes of slow ions with a graphene fragment is investigated by combining ab initio time-dependent density functional theory calculations for electrons with molecular dynamics simulations for ions in real time and real space. We study the electronic energy loss of slow He 2+ , C 2+ , and C 4+ ions penetrating the graphene fragment as a function of the ion velocity, and establish the velocity-proportional energy loss for low-charged ions down to 0.1 a.u. One mechanism clarified in the simulations for electron transfer is polarization capture, which is effective for bare ions at low velocities. The other one is resonance capture, by which the incident ion can capture electrons from the graphene fragment to its electron affinity levels, which have the same, or nearly the same, energy as those of the electron donor levels. The results demonstrate that the nonlinear behavior of energy loss of C 4+ is attributed to the large number of electrons captured by this multi-charged ion during the collision. (paper)

  3. The sub-bandgap energy loss satellites in the RIXS spectra of beryllium compounds

    International Nuclear Information System (INIS)

    Kuusik, I.; Kaeaembre, T.; Kooser, K.; Pustovarov, V.; Ivanov, V.; Kukk, E.; Kikas, A.

    2011-01-01

    Research highlights: → Be 1s RIXS spectra have been measured in Be containing crystals phenakite and chrysoberyl. → A strong energy loss sideband to the elastic scattering peak similar to BeO is found in both minerals. → Additionally the Si 2p RIXS spectra of phenakite also show a strong energy loss sideband to the elastic scattering peak. → The energy loss shoulder appears to result from lattice relaxation in the absorption site. - Abstract: Resonant X-ray inelastic scattering spectra have been measured in BeO, phenakite (Be 2 SiO 4 ) and chrysoberyl (BeAl 2 O 4 ) with the excitation energy near the beryllium K edge. The RIXS spectra excited in the vicinity of the Be 1s core resonance show two principal features: the scattering on a valence excitation (which at higher excitation energies verges into the characteristic K α emission), and a remarkably strong energy loss sideband to the elastic scattering peak. The energy loss shoulder appears to result from lattice relaxation in the absorption site. The comparison of the RIXS spectra of phenakite, chrysoberyl and BeO shows that the strength of the low energy sideband differs greatly; it is strongest in BeO and weakest in phenakite. The Si 2p RIXS spectra of phenakite also display a similar strong sub-bandgap energy loss tail. To gain further insight to this process, transitions in a system with a single vibrational mode have been modelled. The phonon relaxation has been simulated empirically by 'smearing' the photoabsortion-populated vibrational levels with lower levels. This simple model is able to qualitatively explain this wide energy loss shoulder.

  4. The sub-bandgap energy loss satellites in the RIXS spectra of beryllium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kuusik, I., E-mail: ivar@fi.tartu.ee [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Kaeaembre, T. [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Kooser, K. [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Department of Physics and Astronomy, University of Turku, Turku (Finland); Pustovarov, V.; Ivanov, V. [Ural State Technical University-UPI, Yekaterinburg (Russian Federation); Kukk, E. [Department of Physics and Astronomy, University of Turku, Turku (Finland); Kikas, A. [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia)

    2011-07-15

    Research highlights: {yields} Be 1s RIXS spectra have been measured in Be containing crystals phenakite and chrysoberyl. {yields} A strong energy loss sideband to the elastic scattering peak similar to BeO is found in both minerals. {yields} Additionally the Si 2p RIXS spectra of phenakite also show a strong energy loss sideband to the elastic scattering peak. {yields} The energy loss shoulder appears to result from lattice relaxation in the absorption site. - Abstract: Resonant X-ray inelastic scattering spectra have been measured in BeO, phenakite (Be{sub 2}SiO{sub 4}) and chrysoberyl (BeAl{sub 2}O{sub 4}) with the excitation energy near the beryllium K edge. The RIXS spectra excited in the vicinity of the Be 1s core resonance show two principal features: the scattering on a valence excitation (which at higher excitation energies verges into the characteristic K{sub {alpha}} emission), and a remarkably strong energy loss sideband to the elastic scattering peak. The energy loss shoulder appears to result from lattice relaxation in the absorption site. The comparison of the RIXS spectra of phenakite, chrysoberyl and BeO shows that the strength of the low energy sideband differs greatly; it is strongest in BeO and weakest in phenakite. The Si 2p RIXS spectra of phenakite also display a similar strong sub-bandgap energy loss tail. To gain further insight to this process, transitions in a system with a single vibrational mode have been modelled. The phonon relaxation has been simulated empirically by 'smearing' the photoabsortion-populated vibrational levels with lower levels. This simple model is able to qualitatively explain this wide energy loss shoulder.

  5. Preliminary Analysis on Linac Oscillation Data LI05-19 and Wake Field Energy Loss in FACET Commissioning 2012

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yipeng; /SLAC

    2012-07-23

    In this note, preliminary analysis on linac ocsillation data in FACET linac LI05-09 plus LI11-19 is presented. Several quadrupoles are identified to possibly have different strength, compared with their designed strength in the MAD optics model. The beam energy loss due to longitudinal wake fields in the S-band linac is also analytically calculated, also by LITRACK numerical simulations.

  6. Reducing heat loss from the energy absorber of a solar collector

    Science.gov (United States)

    Chao, Bei Tse; Rabl, Ari

    1976-01-01

    A device is provided for reducing convective heat loss in a cylindrical radiant energy collector. It includes a curved reflective wall in the shape of the arc of a circle positioned on the opposite side of the exit aperture from the reflective side walls of the collector. Radiant energy exiting the exit aperture is directed by the curved wall onto an energy absorber such that the portion of the absorber upon which the energy is directed faces downward to reduce convective heat loss from the absorber.

  7. Predicting successful long-term weight loss from short-term weight-loss outcomes: new insights from a dynamic energy balance model (the POUNDS Lost study)123

    Science.gov (United States)

    Ivanescu, Andrada E; Martin, Corby K; Heymsfield, Steven B; Marshall, Kaitlyn; Bodrato, Victoria E; Williamson, Donald A; Anton, Stephen D; Sacks, Frank M; Ryan, Donna; Bray, George A

    2015-01-01

    Background: Currently, early weight-loss predictions of long-term weight-loss success rely on fixed percent-weight-loss thresholds. Objective: The objective was to develop thresholds during the first 3 mo of intervention that include the influence of age, sex, baseline weight, percent weight loss, and deviations from expected weight to predict whether a participant is likely to lose 5% or more body weight by year 1. Design: Data consisting of month 1, 2, 3, and 12 treatment weights were obtained from the 2-y Preventing Obesity Using Novel Dietary Strategies (POUNDS Lost) intervention. Logistic regression models that included covariates of age, height, sex, baseline weight, target energy intake, percent weight loss, and deviation of actual weight from expected were developed for months 1, 2, and 3 that predicted the probability of losing <5% of body weight in 1 y. Receiver operating characteristic (ROC) curves, area under the curve (AUC), and thresholds were calculated for each model. The AUC statistic quantified the ROC curve’s capacity to classify participants likely to lose <5% of their body weight at the end of 1 y. The models yielding the highest AUC were retained as optimal. For comparison with current practice, ROC curves relying solely on percent weight loss were also calculated. Results: Optimal models for months 1, 2, and 3 yielded ROC curves with AUCs of 0.68 (95% CI: 0.63, 0.74), 0.75 (95% CI: 0.71, 0.81), and 0.79 (95% CI: 0.74, 0.84), respectively. Percent weight loss alone was not better at identifying true positives than random chance (AUC ≤0.50). Conclusions: The newly derived models provide a personalized prediction of long-term success from early weight-loss variables. The predictions improve on existing fixed percent-weight-loss thresholds. Future research is needed to explore model application for informing treatment approaches during early intervention. The POUNDS Lost study was registered at clinicaltrials.gov as NCT00072995. PMID:25733628

  8. Trajectory-dependent energy loss for swift He atoms axially scattered off a silver surface

    Energy Technology Data Exchange (ETDEWEB)

    Ríos Rubiano, C.A. [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina); Bocan, G.A. [Centro Atómico Bariloche, Comisión Nacional de Energía Ató mica, and Consejo Nacional de Investigaciones Científicas y Técnicas, S.C. de Bariloche, Río Negro (Argentina); Juaristi, J.I. [Departamento de Física de Materiales, Facultad de Químicas, UPV/EHU, 20018 San Sebastián (Spain); Donostia International Physics Center (DIPC) and Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), 20018 San Sebastián (Spain); Gravielle, M.S., E-mail: msilvia@iafe.uba.ar [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina)

    2014-12-01

    Angle- and energy-loss-resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile distributions are evaluated within a semi-classical formalism that includes dissipative effects due to electron–hole excitations through a friction force. For mono-energetic beams impinging along the [11{sup ¯}0],[11{sup ¯}2] and [001] directions, the model predicts the presence of multiple peak structures in energy-loss spectra. Such structures provide detailed information about the trajectory-dependent energy loss. However, when the experimental dispersion of the incident beam is taken into account, these energy-loss peaks are completely washed out, giving rise to a smooth energy-loss distribution, in fairly good agreement with available experimental data.

  9. Exploring energy loss by vector flow mapping in children with ventricular septal defect: Pathophysiologic significance.

    Science.gov (United States)

    Honda, Takashi; Itatani, Keiichi; Takanashi, Manabu; Kitagawa, Atsushi; Ando, Hisashi; Kimura, Sumito; Oka, Norihiko; Miyaji, Kagami; Ishii, Masahiro

    2017-10-01

    Vector flow mapping is a novel echocardiographic flow visualization method, and it has enabled us to quantitatively evaluate the energy loss in the left ventricle (intraventricular energy loss). Although intraventricular energy loss is assumed to be a part of left ventricular workload itself, it is unclear what this parameter actually represents. The aim of the present study was to elucidate the characteristics of intraventricular energy loss. We enrolled 26 consecutive children with ventricular septal defect (VSD). On echocardiography vector flow mapping, intraventricular energy loss was measured in the apical 3-chamber view. We measured peak energy loss and averaged energy loss in the diastolic and systolic phases, and subsequently compared these parameters with catheterization parameters and serum brain natrium peptide (BNP) level. Diastolic, peak, and systolic energy loss were strongly and positively correlated with right ventricular systolic pressure (r=0.76, 0.68, and 0.56, p<0.0001, = 0.0001, and 0.0029, respectively) and right ventricular end diastolic pressure (r=0.55, 0.49, and 0.49, p=0.0038, 0.0120, and 0.0111, respectively). In addition, diastolic, peak, and systolic energy loss were significantly correlated with BNP (r=0.75, 0.69 and 0.49, p<0.0001, < 0.0001, and=0.0116, respectively). In children with VSD, elevated right ventricular pressure is one of the factors that increase energy loss in the left ventricle. The results of the present study encourage further studies in other study populations to elucidate the characteristics of intraventricular energy loss for its possible clinical application. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Local energy losses at positive and negative steps in subcritical ...

    African Journals Online (AJOL)

    Local energy losses occur when there is a transition in open channel flow. Even though local losses in subcritical open channel flow due to changes in channel width have been studied, to date no studies have been reported for losses due to changes in bed elevations. Steps are commonly used in engineering applications ...

  11. Calculations on displacement damage and its related parameters for heavy ion bombardment in reactor materials

    International Nuclear Information System (INIS)

    Sone, Kazuho; Shiraishi, Kensuke

    1975-04-01

    The depth distribution of displacement damage expressed in displacements per atom (DPA) in reactor materials such as Mo, Nb, V, Fe and Ni bombarded by energetic nitrogen, argon and self ions with incident energy below 2 MeV was calculated following the theory developed by Lindhard and co-workers for the partition of energy as an energetic ion slowing down. In this calculation, energy loss due to electron excitation was taken into account for the atomic collision cascade after the primary knock-on process. Some parameters indispensable for the calculation such as energy loss rate, damage efficiency, projected range and its straggling were tabulated as a function of incident ion energy of 20 keV to 2 MeV. The damage and parameters were also calculated for 2 MeV nickel ions bombarding Fe targets. In this case, the DPA value is of 40--75% overestimated in a calculation disregarding electronic energy loss for primary knock-on atoms. The formula proposed in this report is significant for calculations on displacement damage produced by heavy ion bombardment as a simulation of high fluence fast neutron damage. (auth.)

  12. Calculations on displacement damage and its related parameters for heavy ion bombardment in reactor materials

    Energy Technology Data Exchange (ETDEWEB)

    Sone, K; Shiraishi, K

    1975-04-01

    The depth distribution of displacement damage expressed in displacements per atom (DPA) in reactor materials such as Mo, Nb, V, Fe and Ni bombarded by energetic nitrogen, argon and self ions with incident energy below 2 MeV was calculated following the theory developed by Lindhard and co-workers for the partition of energy as an energetic ion slowing down. In this calculation, energy loss due to electron excitation was taken into account for the atomic collision cascade after the primary knock-on process. Some parameters indispensable for the calculation such as energy loss rate, damage efficiency, projected range and its straggling were tabulated as a function of incident ion energy of 20 keV to 2 MeV. The damage and parameters were also calculated for 2 MeV nickel ions bombarding Fe targets. In this case, the DPA value is of 40--75% overestimated in a calculation disregarding electronic energy loss for primary knock-on atoms. The formula proposed in this report is significant for calculations on displacement damage produced by heavy ion bombardment as a simulation of high fluence fast neutron damage.

  13. Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations

    Science.gov (United States)

    Baxa, Michael C.; Haddadian, Esmael J.; Jumper, John M.; Freed, Karl F.; Sosnick, Tobin R.

    2014-01-01

    The loss of conformational entropy is a major contribution in the thermodynamics of protein folding. However, accurate determination of the quantity has proven challenging. We calculate this loss using molecular dynamic simulations of both the native protein and a realistic denatured state ensemble. For ubiquitin, the total change in entropy is TΔSTotal = 1.4 kcal⋅mol−1 per residue at 300 K with only 20% from the loss of side-chain entropy. Our analysis exhibits mixed agreement with prior studies because of the use of more accurate ensembles and contributions from correlated motions. Buried side chains lose only a factor of 1.4 in the number of conformations available per rotamer upon folding (ΩU/ΩN). The entropy loss for helical and sheet residues differs due to the smaller motions of helical residues (TΔShelix−sheet = 0.5 kcal⋅mol−1), a property not fully reflected in the amide N-H and carbonyl C=O bond NMR order parameters. The results have implications for the thermodynamics of folding and binding, including estimates of solvent ordering and microscopic entropies obtained from NMR. PMID:25313044

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

    Directory of Open Access Journals (Sweden)

    Sung Heo

    2015-07-01

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

  15. Radiative energy losses from a high-current air-blast arc

    International Nuclear Information System (INIS)

    Strachan, D.C.; Lidgate, D.; Jones, G.R.

    1977-01-01

    The importance of total radiation losses from high-current arcs burning in highly accelerated air flows representative of conditions existing in commercial gas-blast switchgear has been investigated. Such losses have been measured both in the high-pressure region upstream of a shaped orifice, where gas velocities are low, and in the region downstream where velocities become supersonic and pressure conditions approach ambient. The dominance of upstream electrode vapor as the source of plasma radiation losses is demonstrated and the importance of radiated losses within the arc energy balance is examined using measured values of axial electric field. For upstream electrodes of elkonite (sintered copper/tungsten) as used in high-power gas-blast circuit breakers, it is shown that some 30--40% of the electrical energy input upstream of the orifice is lost as radiation, while downstream this figure becomes 10--20%. The effect of reservoir pressure on arc electric fields is examined and the contribution to this effect of radiation losses is quantified

  16. Kinetic Energy Losses and Efficiency of an Axial Turbine Stage in Numerical Modeling of Unsteady Flows

    Directory of Open Access Journals (Sweden)

    A. S. Laskin

    2015-01-01

    Full Text Available The article presents the results of numerical investigation of kinetic energy (KE loss and blading efficiency of the single-stage axial turbine under different operating conditions, characterized by the ratio u/C0. The calculations are performed by stationary (Stage method and nonstationary (Transient method methods using ANSYS CFX. The novelty of this work lies in the fact that the numerical simulation of steady and unsteady flows in a turbine stage is conducted, and the results are obtained to determine the loss of KE, both separately by the elements of the flow range and their total values, in the stage efficiency as well. The results obtained are compared with the calculated efficiency according to one-dimensional theory.To solve these problems was selected model of axial turbine stage with D/l = 13, blade profiles of rotor and stator of constant cross-section, similar to tested ones in inverted turbine when = 0.3. The degree of reactivity ρ = 0.27, the rotor speed was varied within the range 1000 ÷ 1800 rev/min.Results obtained allow us to draw the following conclusions:1. The level of averaged coefficients of total KE losses in the range of from 0.48 to 0.75 is from 18% to 21% when calculating by the Stage method and from 21% to 25% by the Transient one.2. The level of averaged coefficients of KE losses with the output speed of in the specified range is from 9% to 13%, and almost the same when in calculating by Stage and Transient methods.3. Levels of averaged coefficients of KE loss in blade tips (relative to the differential enthalpies per stage are changed in the range: from 4% to 3% (Stage and are stored to be equal to 5% (Transient; from 5% to 6% (Stage and from 6% to 8% (Transient.4. Coefficients of KE losses in blade tips GV and RB are higher in calculations of the model stage using the Transient method than the Stage one, respectively, by = 1.5 ÷ 2.5% and = 4 ÷ 5% of the absolute values. These are values to characterize the KE

  17. Shielding NSLS-II light source: Importance of geometry for calculating radiation levels from beam losses

    Science.gov (United States)

    Kramer, S. L.; Ghosh, V. J.; Breitfeller, M.; Wahl, W.

    2016-11-01

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produces significantly higher neutron component dose to the experimental floor than a lower energy beam injection and ramped operations. Minimizing this dose will require adequate knowledge of where the miss-steered beam can occur and sufficient EM shielding close to the loss point, in order to attenuate the energy of the particles in the EM shower below the neutron production threshold (weaknesses in the design before a high radiation incident occurs. The effort required to adequately define the accelerator geometry for these codes has been greatly reduced with the implementation of the graphical interface of FLAIR to FLUKA. This made the effective shielding process for NSLS-II quite accurate and reliable. The principles used to provide supplemental shielding to the NSLS-II accelerators and the lessons learned from this process are presented.

  18. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

    Energy Technology Data Exchange (ETDEWEB)

    Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Blanco-Rey, María [Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20080 Donostia-San Sebastián (Spain); Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Alducin, Maite [Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales, Centro Mixto CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Auerbach, Daniel J. [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Max Planck Institute for Biophysical Chemistry, Göttingen (Germany); Institute for Physical Chemistry, Georg-August University of Göttingen, Göttingen (Germany)

    2014-08-07

    Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy

  19. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

    Science.gov (United States)

    Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

    2014-08-07

    Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the

  20. Neutrino energy loss rate in a stellar plasma

    International Nuclear Information System (INIS)

    Esposito, S.; Mangano, G.; Miele, G.; Picardi, I.; Pisanti, O.

    2003-01-01

    We review the purely leptonic neutrino emission processes, contributing to the energy loss rate of the stellar plasma. We perform a complete analysis up to the first order in the electromagnetic coupling constant. In particular the radiative electromagnetic corrections, at order α, to the process e + e - →νν-bar at finite density and temperature have been computed. This process gives one of the main contributions to the cooling of stellar interior in the late stages of star evolution. As a result of the analysis we find that the corrections affect the energy loss rate, computed at tree level, by a factor (-4-1)% in the temperature and density region where the pair annihilation is the most efficient cooling mechanism

  1. Self-Directed Weight Loss Strategies: Energy Expenditure Due to Physical Activity Is Not Increased to Achieve Intended Weight Loss.

    Science.gov (United States)

    Elbelt, Ulf; Schuetz, Tatjana; Knoll, Nina; Burkert, Silke

    2015-07-16

    Reduced physical activity and almost unlimited availability of food are major contributors to the development of obesity. With the decline of strenuous work, energy expenditure due to spontaneous physical activity has attracted increasing attention. Our aim was to assess changes in energy expenditure, physical activity patterns and nutritional habits in obese subjects aiming at self-directed weight loss. Energy expenditure and physical activity patterns were measured with a portable armband device. Nutritional habits were assessed with a food frequency questionnaire. Data on weight development, energy expenditure, physical activity patterns and nutritional habits were obtained for 105 patients over a six-month period from an initial cohort of 160 outpatients aiming at weight loss. Mean weight loss was -1.5 ± 7.0 kg (p = 0.028). Patients with weight maintenance (n = 75), with substantial weight loss (>5% body weight, n = 20) and with substantial weight gain (>5% body weight, n = 10) did not differ in regard to changes of body weight adjusted energy expenditure components (total energy expenditure: -0.2 kcal/kg/day; non-exercise activity thermogenesis: -0.3 kcal/kg/day; exercise-related activity thermogenesis (EAT): -0.2 kcal/kg/day) or patterns of physical activity (duration of EAT: -2 min/day; steps/day: -156; metabolic equivalent unchanged) measured objectively with a portable armband device. Self-reported consumption frequency of unfavorable food decreased significantly (p = 0.019) over the six-month period. An increase in energy expenditure or changes of physical activity patterns (objectively assessed with a portable armband device) are not employed by obese subjects to achieve self-directed weight loss. However, modified nutritional habits could be detected with the use of a food frequency questionnaire.

  2. Tackling Energy Loss for High-Efficiency Organic Solar Cells with Integrated Multiple Strategies.

    Science.gov (United States)

    Zuo, Lijian; Shi, Xueliang; Jo, Sae Byeok; Liu, Yun; Lin, Fracis; Jen, Alex K-Y

    2018-04-01

    Limited by the various inherent energy losses from multiple channels, organic solar cells show inferior device performance compared to traditional inorganic photovoltaic techniques, such as silicon and CuInGaSe. To alleviate these fundamental limitations, an integrated multiple strategy is implemented including molecular design, interfacial engineering, optical manipulation, and tandem device construction into one cell. Considering the close correlation among these loss channels, a sophisticated quantification of energy-loss reduction is tracked along with each strategy in a perspective to reach rational overall optimum. A novel nonfullerene acceptor, 6TBA, is synthesized to resolve the thermalization and V OC loss, and another small bandgap nonfullerene acceptor, 4TIC, is used in the back sub-cell to alleviate transmission loss. Tandem architecture design significantly reduces the light absorption loss, and compensates carrier dynamics and thermalization loss. Interfacial engineering further reduces energy loss from carrier dynamics in the tandem architecture. As a result of this concerted effort, a very high power conversion efficiency (13.20%) is obtained. A detailed quantitative analysis on the energy losses confirms that the improved device performance stems from these multiple strategies. The results provide a rational way to explore the ultimate device performance through molecular design and device engineering. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Depth-selective X-ray absorption spectroscopy by detection of energy-loss Auger electrons

    Energy Technology Data Exchange (ETDEWEB)

    Isomura, Noritake, E-mail: isomura@mosk.tytlabs.co.jp [Toyota Central R& D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Soejima, Narumasa; Iwasaki, Shiro [Toyota Central R& D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Nomoto, Toyokazu; Murai, Takaaki [Aichi Synchrotron Radiation Center (AichiSR), 250-3 Minamiyamaguchi-cho, Seto, Aichi 489-0965 (Japan); Kimoto, Yasuji [Toyota Central R& D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan)

    2015-11-15

    Graphical abstract: - Highlights: • A unique XAS method is proposed for depth profiling of chemical states. • PEY mode detecting energy-loss electrons enables a variation in the probe depth. • Si K-edge XAS spectra of the Si{sub 3}N{sub 4}/SiO{sub 2}/Si multilayer films have been investigated. • Deeper information was obtained in the spectra measured at larger energy loss. • Probe depth could be changed by the selection of the energy of detected electrons. - Abstract: A unique X-ray absorption spectroscopy (XAS) method is proposed for depth profiling of chemical states in material surfaces. Partial electron yield mode detecting energy-loss Auger electrons, called the inelastic electron yield (IEY) mode, enables a variation in the probe depth. As an example, Si K-edge XAS spectra for a well-defined multilayer sample (Si{sub 3}N{sub 4}/SiO{sub 2}/Si) have been investigated using this method at various kinetic energies. We found that the peaks assigned to the layers from the top layer to the substrate appeared in the spectra in the order of increasing energy loss relative to the Auger electrons. Thus, the probe depth can be changed by the selection of the kinetic energy of the energy loss electrons in IEY-XAS.

  4. Depth-selective X-ray absorption spectroscopy by detection of energy-loss Auger electrons

    International Nuclear Information System (INIS)

    Isomura, Noritake; Soejima, Narumasa; Iwasaki, Shiro; Nomoto, Toyokazu; Murai, Takaaki; Kimoto, Yasuji

    2015-01-01

    Graphical abstract: - Highlights: • A unique XAS method is proposed for depth profiling of chemical states. • PEY mode detecting energy-loss electrons enables a variation in the probe depth. • Si K-edge XAS spectra of the Si_3N_4/SiO_2/Si multilayer films have been investigated. • Deeper information was obtained in the spectra measured at larger energy loss. • Probe depth could be changed by the selection of the energy of detected electrons. - Abstract: A unique X-ray absorption spectroscopy (XAS) method is proposed for depth profiling of chemical states in material surfaces. Partial electron yield mode detecting energy-loss Auger electrons, called the inelastic electron yield (IEY) mode, enables a variation in the probe depth. As an example, Si K-edge XAS spectra for a well-defined multilayer sample (Si_3N_4/SiO_2/Si) have been investigated using this method at various kinetic energies. We found that the peaks assigned to the layers from the top layer to the substrate appeared in the spectra in the order of increasing energy loss relative to the Auger electrons. Thus, the probe depth can be changed by the selection of the kinetic energy of the energy loss electrons in IEY-XAS.

  5. A novel lattice energy calculation technique for simple inorganic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Kaya, Savaş, E-mail: savaskaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Banerjee, Priyabrata [Surface Engineering and Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur 713209 (India)

    2017-01-01

    In this pure theoretical study, a hitherto unexplored equation based on Shannon radii of the ions forming that crystal and chemical hardness of any crystal to calculate the lattice energies of simple inorganic ionic crystals has been presented. To prove the credibility of this equation, the results of the equation have been compared with experimental outcome obtained from Born-Fajans-Haber- cycle which is fundamentally enthalpy-based thermochemical cycle and prevalent theoretical approaches proposed for the calculation of lattice energies of ionic compounds. The results obtained and the comparisons made have demonstrated that the new equation is more useful compared to other theoretical approaches and allows to exceptionally accurate calculation of lattice energies of inorganic ionic crystals without doing any complex calculations.

  6. New method of ionization energy calculation for two-electron ions

    International Nuclear Information System (INIS)

    Ershov, D.K.

    1997-01-01

    A new method for calculation of the ionization energy of two-electron ions is proposed. The method is based on the calculation of the energy of second electron interaction with the field of an one-electron ion the potential of which is well known

  7. Convective losses through an air-filled gap

    Energy Technology Data Exchange (ETDEWEB)

    Baum, V A; Ovezsakhatov, N

    1976-01-01

    Simplified formulas for the heat fluxes with given parameters of the air are used to calculate the specific heat losses by convection in a number of solar-energy systems (water heater, thermal generator, double-glazed window, and still). Heat losses by convection and radiation are compared.

  8. Case Library Construction Technology of Energy Loss in Distribution Networks Considering Regional Differentiation Theory

    Directory of Open Access Journals (Sweden)

    Ze Yuan

    2017-11-01

    Full Text Available The grid structures, load levels, and running states of distribution networks in different supply regions are known as the influencing factors of energy loss. In this paper, the case library of energy loss is constructed to differentiate the crucial factors of energy loss in the different supply regions. First of all, the characteristic state values are selected as the representation of the cases based on the analysis of energy loss under various voltage classes and in different types of regions. Then, the methods of Grey Relational Analysis and the K-Nearest Neighbor are utilized to implement the critical technologies of case library construction, including case representation, processing, analysis, and retrieval. Moreover, the analysis software of the case library is designed based on the case library construction technology. Some case studies show that there are many differences and similarities concerning the factors that influence the energy loss in different types of regions. In addition, the most relevant sample case can be retrieved from the case library. Compared with the traditional techniques, constructing a case library provides a new way to find out the characteristics of energy loss in different supply regions and constitutes differentiated loss-reducing programs.

  9. Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

    Science.gov (United States)

    Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

    2013-08-15

    Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

  10. A Python tool to set up relative free energy calculations in GROMACS.

    Science.gov (United States)

    Klimovich, Pavel V; Mobley, David L

    2015-11-01

    Free energy calculations based on molecular dynamics (MD) simulations have seen a tremendous growth in the last decade. However, it is still difficult and tedious to set them up in an automated manner, as the majority of the present-day MD simulation packages lack that functionality. Relative free energy calculations are a particular challenge for several reasons, including the problem of finding a common substructure and mapping the transformation to be applied. Here we present a tool, alchemical-setup.py, that automatically generates all the input files needed to perform relative solvation and binding free energy calculations with the MD package GROMACS. When combined with Lead Optimization Mapper (LOMAP; Liu et al. in J Comput Aided Mol Des 27(9):755-770, 2013), recently developed in our group, alchemical-setup.py allows fully automated setup of relative free energy calculations in GROMACS. Taking a graph of the planned calculations and a mapping, both computed by LOMAP, our tool generates the topology and coordinate files needed to perform relative free energy calculations for a given set of molecules, and provides a set of simulation input parameters. The tool was validated by performing relative hydration free energy calculations for a handful of molecules from the SAMPL4 challenge (Mobley et al. in J Comput Aided Mol Des 28(4):135-150, 2014). Good agreement with previously published results and the straightforward way in which free energy calculations can be conducted make alchemical-setup.py a promising tool for automated setup of relative solvation and binding free energy calculations.

  11. Monte Carlo simulations used to calculate the energy deposited in the coronary artery lumen as a function of iodine concentration and photon energy.

    Science.gov (United States)

    Hocine, Nora; Meignan, Michel; Masset, Hélène

    2018-04-01

    To better understand the risks of cumulative medical X-ray investigations and the possible causal role of contrast agent on the coronary artery wall, the correlation between iodinated contrast media and the increase of energy deposited in the coronary artery lumen as a function of iodine concentration and photon energy is investigated. The calculations of energy deposition have been performed using Monte Carlo (MC) simulation codes, namely PENetration and Energy LOss of Positrons and Electrons (PENELOPE) and Monte Carlo N-Particle eXtended (MCNPX). Exposure of a cylinder phantom, artery and a metal stent (AISI 316L) to several X-ray photon beams were simulated. For the energies used in cardiac imaging the energy deposited in the coronary artery lumen increases with the quantity of iodine. Monte Carlo calculations indicate a strong dependence of the energy enhancement factor (EEF) on photon energy and iodine concentration. The maximum value of EEF is equal to 25; this factor is showed for 83 keV and for 400 mg Iodine/mL. No significant impact of the stent is observed on the absorbed dose in the artery for incident X-ray beams with mean energies of 44, 48, 52 and 55 keV. A strong correlation was shown between the increase in the concentration of iodine and the energy deposited in the coronary artery lumen for the energies used in cardiac imaging and over the energy range between 44 and 55 keV. The data provided by this study could be useful for creating new medical imaging protocols to obtain better diagnostic information with a lower level of radiation exposure.

  12. Calculations of nuclear energies using the energy density formalism

    International Nuclear Information System (INIS)

    Pu, W.W.T.

    1975-01-01

    The energy density formalism (EDF) is used to investigate two problems. In this formalism the energy of the nucleus is expressed as a functional of its density. The nucleus energy is obtained by minimizing the functional with respect to the density. The first problem has to do with the stability of nuclei having shapes of different degrees of central depression (bubble shapes). It is shown that the bubble shapes are energetically favorable only for unrealistically large nuclei. Particularly, the super heavy nucleus that has been suggested (Z = 114, N = 184) prefers a shape with constant central density. These results are in good agreement with earlier calculations using the liquid drop model. The second problem concerns an anomaly detected experimentally in the isotope shift of mercury. The isotope shifts among a long chain of mercury isotopes show a sudden change as the neutron number is reduced. In particular, the experimental result suggests that the effective size of the charge distributions of 183 Hg and 185 Hg are as large as that of 196 Hg. Such sudden changes in other nuclei have been attributed to a sudden onset of permanent quadruple deformation. In the case of mercury there is no experimental evidence for deformed shapes. It was, therefore, suggested that the proton distribution might develop a central depression in the lighter isotopes. The EDF is used to investigate the mercury isotope shift anomaly following the aforementioned suggestion. Specifically, nucleon densities with different degrees of central depression are generated. Energies corresponding to these densities are obtained. To allow for shell effects, nucleon densities are obtained from single-particle wave functions. Calculations are made for a few mercury isotopes, especially for 184 Hg. The results are that in all cases the energy is lower for densities corresponding to a solid spherical shape

  13. Energy-loss spectra of charged particles in the presence of charge exchange: Addendum on 6Li spectra

    International Nuclear Information System (INIS)

    Glazov, Lev; Sigmund, Peter

    2000-01-01

    Charge-dependent energy-loss spectra for swift Li ions penetrating thin carbon foils have been evaluated theoretically. As in our earlier study on He ions we reproduce the main features in experimental data by Ogawa and coworkers, but calculated spectra are narrower than measured, mainly because of limited experimental resolution. Comments are made on a theoretical study by Balashov and coworkers who analysed the same experimental data but arrived at very different conclusions

  14. Self-Directed Weight Loss Strategies: Energy Expenditure Due to Physical Activity Is Not Increased to Achieve Intended Weight Loss

    Directory of Open Access Journals (Sweden)

    Ulf Elbelt

    2015-07-01

    Full Text Available Reduced physical activity and almost unlimited availability of food are major contributors to the development of obesity. With the decline of strenuous work, energy expenditure due to spontaneous physical activity has attracted increasing attention. Our aim was to assess changes in energy expenditure, physical activity patterns and nutritional habits in obese subjects aiming at self-directed weight loss. Methods: Energy expenditure and physical activity patterns were measured with a portable armband device. Nutritional habits were assessed with a food frequency questionnaire. Results: Data on weight development, energy expenditure, physical activity patterns and nutritional habits were obtained for 105 patients over a six-month period from an initial cohort of 160 outpatients aiming at weight loss. Mean weight loss was −1.5 ± 7.0 kg (p = 0.028. Patients with weight maintenance (n = 75, with substantial weight loss (>5% body weight, n = 20 and with substantial weight gain (>5% body weight, n = 10 did not differ in regard to changes of body weight adjusted energy expenditure components (total energy expenditure: −0.2 kcal/kg/day; non-exercise activity thermogenesis: −0.3 kcal/kg/day; exercise-related activity thermogenesis (EAT: −0.2 kcal/kg/day or patterns of physical activity (duration of EAT: −2 min/day; steps/day: −156; metabolic equivalent unchanged measured objectively with a portable armband device. Self-reported consumption frequency of unfavorable food decreased significantly (p = 0.019 over the six-month period. Conclusions: An increase in energy expenditure or changes of physical activity patterns (objectively assessed with a portable armband device are not employed by obese subjects to achieve self-directed weight loss. However, modified nutritional habits could be detected with the use of a food frequency questionnaire.

  15. Electron energy-loss spectroscopy on fullerenes and fullerene compounds

    International Nuclear Information System (INIS)

    Armbruster, J.

    1996-03-01

    A few years ago, a new form of pure carbon, the fullerenes, has been discovered, which shows many fascinating properties. Within this work the spatial and electronic structure of some selected fullerene compounds have been investigated by electron-energy-loss spectroscopy in transmission. Phase pure samples of alkali intercalated fullerides A x C 60 (A=Na, K, Cs) have been prepared using vacuum distillation. Measruements of K 3 C 60 show a dispersion of the charge carrier plasmon close to zero. This can be explained by calculations, which take into account both band structure and local-field (inhomogeneity) effects. The importance of the molecular structure can also be seen from the A 4 C 60 compounds, where the non-metallic properties are explained by a splitting of the t 1u and t 1g derived bands that is caused by electron-correlation and Jahn-Teller effects. First measurements of the electronic structure of Na x C 60 (x>6) are presented and reveal a complete transfer from the sodium atoms but an incomplete transfer onto the C 60 molecules. This behaviour can be explained by taking into account additional electronic states that are situated between the sodium atoms in the octahedral sites and are predicted by calculations using local density approximation. The crystal structure of the higher fullerenes C 76 and C 84 is found to be face-centered cubic

  16. Energy loss, equilibration, and thermodynamics of a baryon rich strongly coupled quark-gluon plasma

    Energy Technology Data Exchange (ETDEWEB)

    Rougemont, Romulo [Instituto de Física, Universidade de São Paulo, Rua do Matão, 1371, Butantã, CEP 05508-090, São Paulo, SP (Brazil); Ficnar, Andrej [Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Finazzo, Stefano I. [Instituto de Física, Universidade de São Paulo, Rua do Matão, 1371, Butantã, CEP 05508-090, São Paulo, SP (Brazil); Instituto de Física Teórica, Universidade do Estado de São Paulo, Rua Dr. Bento T. Ferraz, 271, CEP 01140-070, São Paulo, SP (Brazil); Noronha, Jorge [Instituto de Física, Universidade de São Paulo, Rua do Matão, 1371, Butantã, CEP 05508-090, São Paulo, SP (Brazil); Department of Physics, Columbia University, 538 West 120th Street, New York, NY 10027 (United States)

    2016-04-15

    Lattice data for the QCD equation of state and the baryon susceptibility near the crossover phase transition (at zero baryon density) are used to determine the input parameters of a 5-dimensional Einstein-Maxwell-Dilaton holographic model that provides a consistent holographic framework to study both equilibrium and out-of-equilibrium properties of a hot and baryon rich strongly coupled quark-gluon plasma (QGP). We compare our holographic equation of state computed at nonzero baryon chemical potential, μ{sub B}, with recent lattice calculations and find quantitative agreement for the pressure and the speed of sound for μ{sub B}≤400 MeV. This holographic model is used to obtain holographic predictions for the temperature and μ{sub B} dependence of the drag force and the Langevin diffusion coefficients associated with heavy quark jet propagation as well as the jet quenching parameter q̂ and the shooting string energy loss of light quarks in the baryon dense plasma. We find that the energy loss of heavy and light quarks generally displays a nontrivial, fast-varying behavior as a function of the temperature near the crossover. Moreover, energy loss is also found to generally increase due to nonzero baryon density effects even though this strongly coupled liquid cannot be described in terms of well defined quasiparticle excitations. Furthermore, to get a glimpse of how thermalization occurs in a hot and baryon dense QGP, we study how the lowest quasinormal mode of an external massless scalar disturbance in the bulk is affected by a nonzero baryon charge. We find that the equilibration time associated with the lowest quasinormal mode decreases in a dense medium.

  17. Steady-state heat losses in pipes for low-energy district heating

    DEFF Research Database (Denmark)

    Dalla Rosa, Alessandro; Li, Hongwei; Svendsen, Svend

    2010-01-01

    The synergy between highly energy efficient buildings and low-energy district heating (DH) systems is a promising concept for the optimal integration of energy saving policies and energy supply systems based on renewable energy (RE). Distribution heat losses represent a key factor in the design o...

  18. EPP Energy Efficiency Calculation and Influencing Factor Analysis: Cases in China

    Directory of Open Access Journals (Sweden)

    Jingmin Wang

    2015-01-01

    Full Text Available Efficiency power plant (EPP promotes the use of energy efficiency power plant technology and energy efficient equipment, coupled with its low-input, zero pollution, zero emissions, and other advantages, having an important role in the control of energy consumption and energy saving. In order to carry out scientific EPP investment decisions, the level of energy efficiency is an important basis for investment decisions. This paper introduces total factor energy efficiency (TFEE in energy efficiency calculation of EPP, constructs energy efficiency calculation model considering environmental benefits, and takes the micro and macro cases in China for analysis; the results show that the TFEE of both single energy efficiency project and EPP are at a relatively high level (above 0.7, and there is a huge gap between calculation results considering and without considering the environmental benefit. In order to discuss energy efficiency influencing factors, the paper analyzes generalized technological advances variation feature of China typical provinces implementing EPP based on generalized technological advances decomposition model by Malmquist index, finding that the steady growth of M index in these provinces is derived from the management level of implementation of EPP and the large-scale production capacity of formation and management. We hope the models and conclusions could provide some references on EPP energy efficiency calculation and decision.

  19. Mitigating energy loss on distribution lines through the allocation of reactors

    Science.gov (United States)

    Miranda, T. M.; Romero, F.; Meffe, A.; Castilho Neto, J.; Abe, L. F. T.; Corradi, F. E.

    2018-03-01

    This paper presents a methodology for automatic reactors allocation on medium voltage distribution lines to reduce energy loss. In Brazil, some feeders are distinguished by their long lengths and very low load, which results in a high influence of the capacitance of the line on the circuit’s performance, requiring compensation through the installation of reactors. The automatic allocation is accomplished using an optimization meta-heuristic called Global Neighbourhood Algorithm. Given a set of reactor models and a circuit, it outputs an optimal solution in terms of reduction of energy loss. The algorithm is also able to verify if the voltage limits determined by the user are not being violated, besides checking for energy quality. The methodology was implemented in a software tool, which can also show the allocation graphically. A simulation with four real feeders is presented in the paper. The obtained results were able to reduce the energy loss significantly, from 50.56%, in the worst case, to 93.10%, in the best case.

  20. Low-energy electron energy losses and inelastic mean free paths in zinc, selenium, and zinc selenide

    Energy Technology Data Exchange (ETDEWEB)

    Bourke, J.D.; Chantler, C.T., E-mail: chantler@unimelb.edu.au

    2014-10-15

    We compute low-energy optical energy loss spectra for the elemental solids zinc and selenium, and for the binary compound zinc selenide. The optical data are transformed via a constrained partial-pole algorithm to produce momentum-dependent electron energy loss spectra and electron inelastic mean free paths. This enables a comparison between the electron scattering behaviour in a compound solid and its constituent elements. Results cannot be explained by aggregation methods or commonly used universal curves, and prove that new approaches are required. Our work demonstrates new capabilities for the determination of fundamental material properties for a range of structures previously inaccessible to established theoretical models, and at energy levels inaccessible to most experimental techniques.

  1. Low-energy electron energy losses and inelastic mean free paths in zinc, selenium, and zinc selenide

    International Nuclear Information System (INIS)

    Bourke, J.D.; Chantler, C.T.

    2014-01-01

    We compute low-energy optical energy loss spectra for the elemental solids zinc and selenium, and for the binary compound zinc selenide. The optical data are transformed via a constrained partial-pole algorithm to produce momentum-dependent electron energy loss spectra and electron inelastic mean free paths. This enables a comparison between the electron scattering behaviour in a compound solid and its constituent elements. Results cannot be explained by aggregation methods or commonly used universal curves, and prove that new approaches are required. Our work demonstrates new capabilities for the determination of fundamental material properties for a range of structures previously inaccessible to established theoretical models, and at energy levels inaccessible to most experimental techniques

  2. Experimental verification of stored energy calculations

    International Nuclear Information System (INIS)

    Hann, C.R.; Christensen, J.A.; Lanning, D.D.; Marshall, R.K.; Williford, R.E.

    1975-01-01

    A description is provided of irradiation tests designed to provide data needed to verify existing steady state fuel performance codes. The tests are being conducted in the Halden Reactor, and are designed to provide data pertinent to stored energy calculations over a range of linear heat ratings utilized in contemporary power reactors

  3. Transport calculation of medium-energy protons and neutrons by Monte Carlo method

    International Nuclear Information System (INIS)

    Ban, Syuuichi; Hirayama, Hideo; Katoh, Kazuaki.

    1978-09-01

    A Monte Carlo transport code, ARIES, has been developed for protons and neutrons at medium energy (25 -- 500 MeV). Nuclear data provided by R.G. Alsmiller, Jr. were used for the calculation. To simulate the cascade development in the medium, each generation was represented by a single weighted particle and an average number of emitted particles was used as the weight. Neutron fluxes were stored by the collisions density method. The cutoff energy was set to 25 MeV. Neutrons below the cutoff were stored to be used as the source for the low energy neutron transport calculation upon the discrete ordinates method. Then transport calculations were performed for both low energy neutrons (thermal -- 25 MeV) and secondary gamma-rays. Energy spectra of emitted neutrons were calculated and compared with those of published experimental and calculated results. The agreement was good for the incident particles of energy between 100 and 500 MeV. (author)

  4. Energy balance of the cathode connection and calculation of the yield of caesium diodes; Bilan des energies dans la connexion de cathode et calcul du rendement dans les diodes a cesium

    Energy Technology Data Exchange (ETDEWEB)

    Merard, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    The cathode connection is one of the critical elements in the calculation of the yield of caesium diodes. In particular a study is made of the balance of the losses due to the Joule effect, to radiation and to thermal conduction as a function of the shape and the nature of the cathode connection. The internal voltage drop of the diode is obtained from the expression for the total Joule losses of the metallic conductors. The length of the cathode connection is calculated as a function of the losses and the yield is optimized as a function of the relationship existing between the cathodic losses due to thermal conduction and the Joule losses in the connection. The calculations lead to hyper-elliptic integrals which can only be manipulated by series development. The results obtained are approximate. (author) [French] Dans le calcul du rendement des diodes a cesium, la connexion de cathode est l'un des elements critiques. On etudie specialement le bilan des pertes par effet joule, rayonnement et conduction thermique, en fonction de la forme et de la nature de la connexion de cathode. On obtient la chute de tension interne de la diode a partir de l'expression des pertes joules totales dans les conducteurs metalliques. La longueur de la connexion de cathode est calculee en fonction des pertes et l'on optimise le rendement en fonction du rapport qui existe entre les pertes par conduction thermique de la cathode et les pertes joules dans la connexion. Les calculs conduisent a des integrales hyperelliptiques dont la manipulation n'est possible que par des developpements en serie. Les resultats cherches sont approximatifs. (auteur)

  5. GIS-technologies application for calculation of potential soil loss of Marha River basin (Republic of Saha)

    Science.gov (United States)

    Shynbergenov, Y.; Maltsev, K.; Sihanova, N.

    2018-01-01

    In the article the presentation of estimation methods of potential soil loss in the conditions of Siberia with application of geographical information systems is resulted. For the reference area of the Marha river basin, which is a part of the Lena river catchment, there was created a specialized geographic information database of potential soil erosion, with scale of 1: 1,000,000. Digital elevation model “GMTED2010” and the hydroset layer corresponding to the scale of 1: 1,000,000 are taken to calculate the soil loss values. The formation of the geobase data is considered in detail being constructed on the basis of the multiplicative structure which reflects the main parameters of the relief (slope steepness, exposition, slope length, erosion potential of the relief), soil, climatic characteristics and modern types of land cover. At the quantitative level with sufficiently high degree of spatial detail results were obtained for calculating the potential erosion of soils. The average value of potential soil loss in the basin without taking into account the factor of land cover types, was 12.6 t/ha/yr. The calculations carried out, taking into account the types of land cover obtained from remote sensing data from outer space resulted in an appreciable reduction of the soil loss values (0.04 t/ha/yr.).

  6. Influence of damping on proton energy loss in plasmas of all degeneracies

    International Nuclear Information System (INIS)

    Barriga-Carrasco, Manuel D.

    2007-01-01

    The purpose of the present paper is to describe the effects of electron-electron collisions on the stopping power of plasmas of any degeneracy. Plasma targets are considered fully ionized so electronic stopping is only due to the free electrons. We focus our analysis on plasmas which electronic density is around solid values n e ≅10 23 cm -3 and which temperature is around T≅10 eV; these plasmas are in the limit of weakly coupled plasmas. This type of plasma has not been studied extensively though it is very important for inertial confinement fusion. The electronic stopping is obtained from an exact quantum mechanical evaluation, which takes into account the degeneracy of the target plasma, and later it is compared with common classical and degenerate approximations. Differences are around 30% in some cases which can produce bigger mistakes in further energy deposition and projectile range studies. Then we consider electron-electron collisions in the exact quantum mechanical electronic stopping calculation. Now the maximum stopping occurs at velocities smaller than for the calculations without considering collisions for all kinds of plasmas analyzed. The energy loss enhances for velocities smaller than the velocity at maximum while decreases for higher velocities. Latter effects are magnified with increasing collision frequency. Differences with the same results for the case of not taking into account collisions are around 20% in the analyzed cases

  7. Calculations of energy consumption in ventilation systems

    Energy Technology Data Exchange (ETDEWEB)

    Kreslins, Andris; Ramata, Anna [Riga Technical University (Latvia)], e-mail: kreslins@rbf.rtu.lv, email: Anna.Ramata@rtu.lv

    2011-07-01

    Energy cost is an important economic factor in the food industry production process. With the rising price of energy, a reduction in energy consumption would greatly impact production and the end product. The aim of this study was to develop a methodology for optimizing energy consumption. A comparison between a traditional ventilation system and a mechanical system was carried out; the necessary enthalpy for heating the air supply and thermal energy consumption were calculated and compared for both systems during the heating season, from October to April, using climatological data for Latvia. Results showed that energy savings of 46% to 87% can be achieved by applying the methodology in the design of industrial buildings; in addition, a well-designed ventilation system increases the workers' productivity. This study presented a methodology which can optimize energy consumption in the food industry sector.

  8. Using the fast fourier transform in binding free energy calculations.

    Science.gov (United States)

    Nguyen, Trung Hai; Zhou, Huan-Xiang; Minh, David D L

    2018-04-30

    According to implicit ligand theory, the standard binding free energy is an exponential average of the binding potential of mean force (BPMF), an exponential average of the interaction energy between the unbound ligand ensemble and a rigid receptor. Here, we use the fast Fourier transform (FFT) to efficiently evaluate BPMFs by calculating interaction energies when rigid ligand configurations from the unbound ensemble are discretely translated across rigid receptor conformations. Results for standard binding free energies between T4 lysozyme and 141 small organic molecules are in good agreement with previous alchemical calculations based on (1) a flexible complex ( R≈0.9 for 24 systems) and (2) flexible ligand with multiple rigid receptor configurations ( R≈0.8 for 141 systems). While the FFT is routinely used for molecular docking, to our knowledge this is the first time that the algorithm has been used for rigorous binding free energy calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  9. Energy flow models for the estimation of technical losses in distribution network

    International Nuclear Information System (INIS)

    Au, Mau Teng; Tan, Chin Hooi

    2013-01-01

    This paper presents energy flow models developed to estimate technical losses in distribution network. Energy flow models applied in this paper is based on input energy and peak demand of distribution network, feeder length and peak demand, transformer loading capacity, and load factor. Two case studies, an urban distribution network and a rural distribution network are used to illustrate application of the energy flow models. Results on technical losses obtained for the two distribution networks are consistent and comparable to network of similar types and characteristics. Hence, the energy flow models are suitable for practical application.

  10. A study on the development of automatic economic profit and loss calculation system for maritime boundary delimitation

    International Nuclear Information System (INIS)

    Kwak, G; Kim, K; Park, Y

    2014-01-01

    As the maritime boundary delimitation is important for the purpose of securing marine resources, in addition to the aspect of maritime security, interest in maritime boundary delimitation to help national benefits are increasing over the world. In Korea, the importance of maritime boundary delimitation with the neighbouring countries is also increasing in practice. The quantity of obtainable marine resources depending on maritime boundary acts as an important factor for maritime boundary delimitation. Accordingly, a study is required to calculate quantity of our obtainable marine resources depending on maritime boundary delimitation. This study intends to calculate obtainable marine resources depending on various maritime boundary scenarios insisted by several countries. It mainly aims at developing a GIS-based automation system to be utilized for decision making of the maritime boundary delimitation. For this target, it has designed a module using spatial analysis technique to automatically calculate profit and loss waters area of each country upon maritime boundary and another module to estimate economic profits and losses obtained by each country using the calculated waters area and pricing information of the marine resources. By linking both the designed modules, it has implemented an automatic economic profit and loss calculation system for the GIS-based maritime boundary delimitation. The system developed from this study automatically calculate quantity of the obtainable marine resources of a country for the maritime boundary to be added and created in the future. Thus, it is expected to support decision making for the maritime boundary negotiators

  11. A study on the development of automatic economic profit and loss calculation system for maritime boundary delimitation

    Science.gov (United States)

    Kwak, G.; Kim, K.; Park, Y.

    2014-02-01

    As the maritime boundary delimitation is important for the purpose of securing marine resources, in addition to the aspect of maritime security, interest in maritime boundary delimitation to help national benefits are increasing over the world. In Korea, the importance of maritime boundary delimitation with the neighbouring countries is also increasing in practice. The quantity of obtainable marine resources depending on maritime boundary acts as an important factor for maritime boundary delimitation. Accordingly, a study is required to calculate quantity of our obtainable marine resources depending on maritime boundary delimitation. This study intends to calculate obtainable marine resources depending on various maritime boundary scenarios insisted by several countries. It mainly aims at developing a GIS-based automation system to be utilized for decision making of the maritime boundary delimitation. For this target, it has designed a module using spatial analysis technique to automatically calculate profit and loss waters area of each country upon maritime boundary and another module to estimate economic profits and losses obtained by each country using the calculated waters area and pricing information of the marine resources. By linking both the designed modules, it has implemented an automatic economic profit and loss calculation system for the GIS-based maritime boundary delimitation. The system developed from this study automatically calculate quantity of the obtainable marine resources of a country for the maritime boundary to be added and created in the future. Thus, it is expected to support decision making for the maritime boundary negotiators.

  12. Research on energy transmission calculation problem on laser detecting submarine

    Science.gov (United States)

    Fu, Qiang; Li, Yingchao; Zhang, Lizhong; Wang, Chao; An, Yan

    2014-12-01

    The laser detection and identification is based on the method of using laser as the source of signal to scan the surface of ocean. If the laser detection equipment finds out the target, it will immediately reflect the returning signal, and then through receiving and disposing the returning signal by the receiving system, to realize the function of detection and identification. Two mediums channels should be though in the process of laser detection transmission, which are the atmosphere and the seawater. The energy loss in the process of water transport, mainly considering the surface reflection and scattering attenuation and internal attenuation factors such as seawater. The energy consumption though atmospheric transmission, mainly considering the absorption of atmospheric and the attenuation causing by scattering, the energy consumption though seawater transmission, mainly considering the element such as surface reflection, the attenuation of scattering and internal attenuation of seawater. On the basis of the analysis and research, through the mode of establishment of atmospheric scattering, the model of sea surface reflection and the model of internal attenuation of seawater, determine the power dissipation of emitting lasers system, calculates the signal strength that reaches the receiver. Under certain conditions, the total attenuation of -98.92 dB by calculation, and put forward the related experiment scheme by the use of Atmospheric analog channel, seawater analog channel. In the experiment of the theory, we use the simulation pool of the atmosphere and the sea to replace the real environment where the laser detection system works in this kind of situation. To start with, we need to put the target in the simulating seawater pool of 10 meters large and then control the depth of the target in the sea level. We, putting the laser detection system in position where it is 2 kilometers far from one side, secondly use the equipment to aim at the target in some

  13. On the Trade-off between Energy Consumption and Food Quality Loss in Supermarket Refrigeration Systems

    DEFF Research Database (Denmark)

    Cai, Junping; Jensen, Jørgen Bauck; Skogestad, Sigurd

    2008-01-01

    This paper studies the trade-off between energy consumption and food quality loss, at varying ambient conditions, in supermarket refrigeration systems. Compared with the traditional operation with pressure control, a large potential for energy savings without extra loss of food quality is demonst......This paper studies the trade-off between energy consumption and food quality loss, at varying ambient conditions, in supermarket refrigeration systems. Compared with the traditional operation with pressure control, a large potential for energy savings without extra loss of food quality...

  14. A method to determine stratification efficiency of thermal energy storage processes independently from storage heat losses

    DEFF Research Database (Denmark)

    Haller, M.Y.; Yazdanshenas, Eshagh; Andersen, Elsa

    2010-01-01

    process is in agreement with the first law of thermodynamics. A comparison of the stratification efficiencies obtained from experimental results of charging, standby, and discharging processes gives meaningful insights into the different mixing behaviors of a storage tank that is charged and discharged......A new method for the calculation of a stratification efficiency of thermal energy storages based on the second law of thermodynamics is presented. The biasing influence of heat losses is studied theoretically and experimentally. Theoretically, it does not make a difference if the stratification...

  15. Improving a radiative plus collisional energy loss model for application to RHIC and LHC

    International Nuclear Information System (INIS)

    Wicks, Simon; Gyulassy, Miklos

    2007-01-01

    With the QGP opacity computed perturbatively and with the global entropy constraints imposed by the observed dN ch /dy ∼ 1000, radiative energy loss alone cannot account for the observed suppression of single non-photonic electrons. Collisional energy loss is comparable in magnitude to radiative loss for both light and heavy jets. Two aspects that significantly affect the collisional energy loss are examined: the role of fluctuations and the effect of introducing a running QCD coupling as opposed to the fixed α s = 0.3 used previously

  16. Beam energy loss to parasitic modes in SPEAR II

    International Nuclear Information System (INIS)

    Allen, M.A.; Paterson, J.M.; Rees, J.R.; Wilson, P.B.

    1975-01-01

    The energy loss due to the excitation of parasitic modes in the SPEAR II rf cavities and vacuum chamber components was measured by observing the shift in synchronous phase angle as a function of circulating beam current and accelerating cavity voltage. The resulting parasitic mode loss resistance is 5 M OMEGA at a bunch length of 6.5 cm. The loss resistance varies with bunch length sigma/sub z/ approximately as exp(-0.3 sigma/sub z/). If the measured result is compared with reasonable theoretical predictions, it may be inferred that the major portion of the parasitic loss takes place in ring vacuum components rather than in the rf cavities. (auth)

  17. Energy loss and charge exchange processes of high energy heavy ions channeled in crystals

    International Nuclear Information System (INIS)

    Poizat, J.C.; Andriamonje, S.; Anne, R.; Faria, N.V.d.C.; Chevallier, M.; Cohen, C.; Dural, J.; Farizon-Mazuy, B.; Gaillard, M.J.; Genre, R.; Hage-Ali, M.; Kirsch, R.; L'hoir, A.; Mory, J.; Moulin, J.; Quere, Y.; Remillieux, J.; Schmaus, D.; Toulemonde, M.

    1990-01-01

    The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. Our experiments show that high energy heavy ion channeling deeply modifies their slowing down and charge exchange processes. This is due to the fact that channeled ions interact only with outershell target electrons, which means that the electron density they experience is very low and that the binding energy, and then the momentum distribution of these electrons, are quite different from the corresponding average values associated to random incidence. The two experimental studies presented here show the reduction of the energy loss rate for fast channeled heavy ions and illustrate the two aspects of channeling effects on charge exchange, the reduction of electron loss on one hand, and of electron capture on the other hand

  18. Polarizable atomistic calculation of site energy disorder in amorphous Alq3.

    Science.gov (United States)

    Nagata, Yuki

    2010-02-01

    A polarizable molecular dynamics simulation and calculation scheme for site energy disorder is presented in amorphous tris(8-hydroxyquinolinato)aluminum (Alq(3)) by means of the charge response kernel (CRK) method. The CRK fit to the electrostatic potential and the tight-binding approximation are introduced, which enables modeling of the polarizable electrostatic interaction for a large molecule systematically from an ab initio calculation. The site energy disorder for electron and hole transfers is calculated in amorphous Alq(3) and the effect of the polarization on the site energy disorder is discussed.

  19. Simulation of loss electron in vacuum magnetically insulated transmission lines

    International Nuclear Information System (INIS)

    Zhang Pengfei; Li Yongdong; Liu Chunliang; Wang Hongguang; Guo Fan; Yang Hailiang; Qiu Aici; Su Zhaofeng; Sun Jianfeng; Sun Jiang; Gao Yi

    2011-01-01

    In the beginning of magnetic insulated period, loss electron in coaxial vacuum magnetically insulated transmission line (MITL) strikes anode and the bremsstrahlung photons are generated in the mean time. Based on the self-limited flow model, velocity in direction of energy transport, energy spectrum and angular distribution of loss electron are simulated by PIC code, energy spectrum of bremsstrahlung photons as well calculated though Monte Carlo method. Computational results show that the velocity of loss electron is less than 2.998 x 108 m/s, the angular excursion of electron is not much in a board extent of energy spectrum. These results show an indirect diagnosis of vacuum insulted transmission line working status based on loss electron bremsstrahlung. (authors)

  20. Inelastic energy loss of light particles scattered by solid surfaces at low energy: influence of the 'gap'

    International Nuclear Information System (INIS)

    Boudjema, M.; D'bichi, N.; Boudouma, Y.; Chami, A.C.; Arezki, B.; Khalal, K.; Benazeth, C.; Benoit-Cattin, P.

    2000-01-01

    The energy spectra of particles scattered by solid surfaces are used to determine the inelastic energy loss at low energy. Assuming the binary collision approximation, a modified TRIM code provides length distributions which are converted to time-of-flight (TOF) spectra by using the friction coefficient as an adjustable parameter. Owing to the nonlinear effects occurring in this energy range, the theoretical value of the electronic stopping power is performed from electron-particle scattering cross-section using a screened potential and so, the phase shifts, obtained self-consistently in the framework of density functional theory (DFT). In the case of He/a:Si interaction at 4 keV, the standard model leads to a largely overestimated value. This fact has been attributed to the presence of the electron energy gap E G and to the structure of the valence band. We verify this assumption in a non-static model involving all electrons of the valence band with a threshold condition v e '2 >v F 2 +2E G , where v F is the Fermi velocity and v e the electron velocity after scattering (non-static extended collisional model). The theoretical results agree very well with the experimental ones for He colliding three targets: a:Si, a:Ge and polycrystalline Ni at 4 keV. The calculations performed for the velocity range below 1 a.u. confirm the important role of the gap and the band structure in the lowering of stopping power at low velocity

  1. Beam Loss Calibration Studies for High Energy Proton Accelerators

    CERN Document Server

    Stockner, M

    2007-01-01

    CERN's Large Hadron Collider (LHC) is a proton collider with injection energy of 450 GeV and collision energy of 7 TeV. Superconducting magnets keep the particles circulating in two counter rotating beams, which cross each other at the Interaction Points (IP). Those complex magnets have been designed to contain both beams in one yoke within a cryostat. An unprecedented amount of energy will be stored in the circulating beams and in the magnet system. The LHC outperforms other existing accelerators in its maximum beam energy by a factor of 7 and in its beam intensity by a factor of 23. Even a loss of a small fraction of the beam particles may cause the transition from the superconducting to the normal conducting state of the coil or cause physical damage to machine components. The unique combination of these extreme beam parameters and the highly advanced superconducting technology has the consequence that the LHC needs a more efficient beam cleaning and beam loss measurement system than previous accelerators....

  2. Predicting successful long-term weight loss from short-term weight-loss outcomes: new insights from a dynamic energy balance model (the POUNDS Lost study).

    Science.gov (United States)

    Thomas, Diana M; Ivanescu, Andrada E; Martin, Corby K; Heymsfield, Steven B; Marshall, Kaitlyn; Bodrato, Victoria E; Williamson, Donald A; Anton, Stephen D; Sacks, Frank M; Ryan, Donna; Bray, George A

    2015-03-01

    Currently, early weight-loss predictions of long-term weight-loss success rely on fixed percent-weight-loss thresholds. The objective was to develop thresholds during the first 3 mo of intervention that include the influence of age, sex, baseline weight, percent weight loss, and deviations from expected weight to predict whether a participant is likely to lose 5% or more body weight by year 1. Data consisting of month 1, 2, 3, and 12 treatment weights were obtained from the 2-y Preventing Obesity Using Novel Dietary Strategies (POUNDS Lost) intervention. Logistic regression models that included covariates of age, height, sex, baseline weight, target energy intake, percent weight loss, and deviation of actual weight from expected were developed for months 1, 2, and 3 that predicted the probability of losing model. The AUC statistic quantified the ROC curve's capacity to classify participants likely to lose models yielding the highest AUC were retained as optimal. For comparison with current practice, ROC curves relying solely on percent weight loss were also calculated. Optimal models for months 1, 2, and 3 yielded ROC curves with AUCs of 0.68 (95% CI: 0.63, 0.74), 0.75 (95% CI: 0.71, 0.81), and 0.79 (95% CI: 0.74, 0.84), respectively. Percent weight loss alone was not better at identifying true positives than random chance (AUC ≤0.50). The newly derived models provide a personalized prediction of long-term success from early weight-loss variables. The predictions improve on existing fixed percent-weight-loss thresholds. Future research is needed to explore model application for informing treatment approaches during early intervention. © 2015 American Society for Nutrition.

  3. A proximal retarding field analyzer for scanning probe energy loss spectroscopy

    Science.gov (United States)

    Bauer, Karl; Murphy, Shane; Palmer, Richard E.

    2017-03-01

    A compact proximal retarding field analyzer for scanning probe energy loss spectroscopy measurements is described. Using the scanning tunneling microscope (STM) tip as a field emission (FE) electron source in conjunction with this analyzer, which is placed at a glancing angle to the surface plane, FE sample current and electron reflectivity imaging may be performed simultaneously. This is demonstrated in measurements of Ag nanostructures prepared on graphite by electron-beam lithography, where a material contrast of 13% is observed, with a lateral resolution of 25 nm, between the silver and graphite in electron reflectivity images. Topological contrast mechanisms such as edge enhancement and shadowing are also observed, giving rise to additional features in the electron reflectivity images. The same instrument configuration has been used to measure electron energy loss spectra on bare graphite, where the zero loss peak, π band plasmon loss peak and secondary electron peaks are observed. Using this simple and compact analyzer an STM, with sufficient open access to the tip-sample junction, may easily be augmented to provide simultaneous elemental and topographic mapping, supplementing STM image measurements with FE sample current and electron reflectivity images, as well as electron energy loss spectroscopy measurements, in the same instrument.

  4. Measurement of Quark Energy Loss in Cold Nuclear Matter at Fermilab E906/SeaQuest

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Po-Ju [Univ. of Colorado, Boulder, CO (United States)

    2017-01-01

    Parton energy loss is a process within QCD that draws considerable interest. The measurement of parton energy loss can provide valuable information for other hard-scattering processes in nuclei, and also serves as an important tool for exploring the properties of the quark-gluon plasma (QGP). Quantifying the energy loss in cold nuclear matter will help to set a baseline relative to energy loss in the QGP. With the Drell-Yan process, the energy loss of incoming quarks in cold nuclear matter can be ideally investigated since the final state interaction is expected to be minimal. E906/SeaQuest is a fixed-target experiment using the 120 GeV proton beam from the Fermilab Main Injector and has been collecting data from p+p, p+d, p+C, p+Fe, and p+W collisions. Within the E906 kinematic coverage of Drell-Yan production via the dimuon channel, the quark energy loss can be measured in a regime where other nuclear effects are expected to be small. In this thesis, the study of quark ener gy loss from different cold nuclear targets is presented.

  5. Privacy-preserving smart meter control strategy including energy storage losses

    OpenAIRE

    Avula, Chinni Venkata Ramana R.; Oechtering, Tobias J.; Månsson, Daniel

    2018-01-01

    Privacy-preserving smart meter control strategies proposed in the literature so far make some ideal assumptions such as instantaneous control without delay, lossless energy storage systems etc. In this paper, we present a one-step-ahead predictive control strategy using Bayesian risk to measure and control privacy leakage with an energy storage system. The controller estimates energy state using a three-circuit energy storage model to account for steady-state energy losses. With numerical exp...

  6. MASS LOSS IN PRE-MAIN-SEQUENCE STARS VIA CORONAL MASS EJECTIONS AND IMPLICATIONS FOR ANGULAR MOMENTUM LOSS

    Energy Technology Data Exchange (ETDEWEB)

    Aarnio, Alicia N. [Astronomy Department, University of Michigan, 830 Dennison Building, 500 Church Street, Ann Arbor, MI 48109 (United States); Matt, Sean P. [Laboratoire AIM Paris-Saclay, CEA/Irfu Universite Paris-Diderot CNRS/INSU, F-91191 Gif-sur-Yvette (France); Stassun, Keivan G., E-mail: aarnio@umich.edu [Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 (United States)

    2012-11-20

    We develop an empirical model to estimate mass-loss rates via coronal mass ejections (CMEs) for solar-type pre-main-sequence (PMS) stars. Our method estimates the CME mass-loss rate from the observed energies of PMS X-ray flares, using our empirically determined relationship between solar X-ray flare energy and CME mass: log (M {sub CME}[g]) = 0.63 Multiplication-Sign log (E {sub flare}[erg]) - 2.57. Using masses determined for the largest flaring magnetic structures observed on PMS stars, we suggest that this solar-calibrated relationship may hold over 10 orders of magnitude in flare energy and 7 orders of magnitude in CME mass. The total CME mass-loss rate we calculate for typical solar-type PMS stars is in the range 10{sup -12}-10{sup -9} M {sub Sun} yr{sup -1}. We then use these CME mass-loss rate estimates to infer the attendant angular momentum loss leading up to the main sequence. Assuming that the CME outflow rate for a typical {approx}1 M {sub Sun} T Tauri star is <10{sup -10} M {sub Sun} yr{sup -1}, the resulting spin-down torque is too small during the first {approx}1 Myr to counteract the stellar spin-up due to contraction and accretion. However, if the CME mass-loss rate is {approx}> 10{sup -10} M {sub Sun} yr{sup -1}, as permitted by our calculations, then the CME spin-down torque may influence the stellar spin evolution after an age of a few Myr.

  7. Distributions of energy losses of electrons and pions in the CBM TRD

    International Nuclear Information System (INIS)

    Akishina, E.P.; Akishina, T.P.; Ivanov, V.V.; Denisova, O.Yu.

    2007-01-01

    The distributions of energy losses of electrons and pions in the TRD detector of the CBM experiment are considered. We analyze the measurements of the energy deposits in one-layer TRD prototype obtained during the test beam (GSI, Darmstadt, February 2006) and Monte Carlo simulations for the n-layered TRD realized with the help of GEANT in frames of the CBM ROOT. We show that 1) energy losses both for real measurements and GEANT simulations are approximated with a high accuracy by a log-normal distribution for π and a weighted sum of two log-normal distributions for e; 2) GEANT simulations noticeably differ from real measurements and, as a result, we have a significant loss in the efficiency of the e/π identification. A procedure to control and correct the process of the energy deposit of electrons in the TRD is developed

  8. Mathematical modeling of the process of determining the standards for process losses in the transfer of thermal energy of the coolant

    Science.gov (United States)

    Akhmetova, I. G.; Chichirova, N. D.

    2017-11-01

    Currently the actual problem is a precise definition of the normative and actual heat loss. Existing methods - experimental, on metering devices, on the basis of mathematical modeling methods are not without drawbacks. Heat losses establishing during the heat carrier transport has an impact on the tariff structure of heat supply organizations. This quantity determination also promotes proper choice of main and auxiliary equipment power, temperature chart of heat supply networks, as well as the heating system structure choice with the decentralization. Calculation of actual heat loss and their comparison with standard values justifies the performance of works on improvement of the heat networks with the replacement of piping or its insulation. To determine the cause of discrepancies between normative and actual heat losses thermal tests on the magnitude of the actual heat losses in the 124 sections of heat networks in Kazan. As were carried out the result mathematical model of the regulatory definition of heat losses is developed and tested. This model differ from differs the existing according the piping insulation type. The application of this factor will bring the value of calculative normative losses heat energy to their actual value. It is of great importance for enterprises operating distribution networks and because of the conditions of their configuration and extensions do not have the technical ability to produce thermal testing.

  9. Structural Variations to a Donor Polymer with Low Energy Losses

    KAUST Repository

    Bazan, Guillermo C

    2017-08-01

    Two regioregular narrow band gap conjugated polymers with a D’-A-D-A repeat unit architecture, namely PIFCF and PSFCF, were designed and synthesized. Both polymers contain strictly organized fluorobenzo[c][1,2,5]thiadiazole (FBT) orientations and different solubilizing side chains for solution processing. Compared to the previously reported asymmetric pyridyl-[2,1,3]thiadiazole (PT) based regioregular polymer, namely PIPCP, PIFCF and PSFCF exhibit wider band gaps, tighter π-π stacking, and improved hole mobilities. When incorporated into solar cells with fullerene acceptors, the Eloss = Eg - eVoc values of PIFCF and PSFCF devices are increased compared to solar cells based on PIPCP. Determination of Ect in these solar cells reveals that, relative to PIPCP, PIFCF solar cells lose more energy from Eg - Ect, and PSFCF solar cells lose more energy from both Eg - Ect and Ect - eVoc. The close structural relationship between PIPCP and PIFCF provides an excellent framework to establish molecular features that impact the relationship between Eg and Ect. Theoretical calculations predict that Eloss of PIFCF:PC61BM would be higher than in the case of PIPCP:PC61BM, due to greater Eg - Ect. These findings provide insight into the design of high performance, low voltage loss photovoltaic polymeric materials with desirable optoelectronic properties.

  10. Local energy losses at positive and negative steps in subcritical ...

    African Journals Online (AJOL)

    2010-04-22

    Apr 22, 2010 ... channel flow due to changes in channel width have been studied, to date no studies have been reported for losses due to changes in bed elevations. .... of these studies report on numerical modelling of flow over transitions. ... that the frictional losses are negligible, the energy equation between Sections (1) ...

  11. Communication: Investigation of the electron momentum density distribution of nanodiamonds by electron energy-loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Zhenbao; Yang, Bing; Lin, Yangming; Su, Dangsheng, E-mail: dssu@imr.ac.cn [Shenyang National Laboratory of Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Wenhua Road 72, Shenyang 110016 (China)

    2015-12-07

    The electron momentum distribution of detonation nanodiamonds (DND) was investigated by recording electron energy-loss spectra at large momentum transfer in the transmission electron microscope (TEM), which is known as electron Compton scattering from solid (ECOSS). Compton profile of diamond film obtained by ECOSS was found in good agreement with prior photon experimental measurement and theoretical calculation that for bulk diamond. Compared to the diamond film, the valence Compton profile of DND was found to be narrower, which indicates a more delocalization of the ground-state charge density for the latter. Combining with other TEM characterizations such as high-resolution transmission electron spectroscopy, diffraction, and energy dispersive X-ray spectroscopy measurements, ECOSS was shown to be a great potential technique to study ground-state electronic properties of nanomaterials.

  12. Interaction of protons with the C{sub 60} molecule: calculation of deposited energies and electronic stopping cross sections (v{sub {<=}}5 au)

    Energy Technology Data Exchange (ETDEWEB)

    Moretto-Capelle, P. [Laboratoire CAR, IRSAMC, UMR 5589 CNRS, Universite Paul Sabatier, Toulouse (France)]. E-mail: pmc@irsamc.ups-tlse.fr; Bordenave-Montesquieu, D.; Rentenier, A.; Bordenave-Montesquieu, A. [Laboratoire CAR, IRSAMC, UMR 5589 CNRS, Universite Paul Sabatier, Toulouse (France)

    2001-09-28

    The energy deposited by a proton in a C{sub 60} molecule is calculated over a broad collision velocity range from 0.1 to 5 au, using the free-electron gas model of Lindhard and Winther (1964 Mat. Fys. Medd. K Dan. Vidensk. Selsk. 34) and the C{sub 60} electron density distribution calculated by Puska and Nieminen. The energy lost by the proton is maximum near 1.8 au collision velocity in contrast with the saturation found in the low-velocity regime, in the 0.25-0.5 au velocity range, by Kunert and Schmidt. From the impact parameter dependence we deduce the distributions of deposited energies, the averaged energy losses and the C{sub 60} electronic stopping cross sections. It is found that the C{sub 60} molecule behaves as a carbon foil giving very similar absolute stopping cross sections per atom. (author). Letter-to-the-editor.

  13. Analysis of daylight calculated using the EnergyPlus programme

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Greici; Ghisi, Enedir [Universidade Federal de Santa Catarina, Departamento de Engenharia Civil, Laboratorio de Eficiencia Energetica em Edificacoes, Caixa Postal 476, Florianopolis - SC 88040-900 (Brazil)

    2010-09-15

    In order to properly evaluate the thermal energy performance of buildings it is also necessary to analyse the use of daylight, since this influences the thermal load of a building. In this context, the aim of this study was to evaluate the calculation of internal illuminances carried out using the EnergyPlus simulation programme. The analysis was carried out through a comparison of the Useful Daylight Illuminances (UDI) and the daylight factor (DF) estimated using the EnergyPlus programme with the results from another two programmes: Daysim/Radiance and TropLux. Also, the external horizontal illuminance estimated using EnergyPlus was compared with that measured in Florianopolis, Santa Catarina State, Brazil, between 2003 and 2005. The simulations were carried out for three different rooms: one square (5 m x 5 m x 3 m), one shallow rectangular (10 m x 5 m x 3 m) and one deep rectangular (5 m x 10 m x 3 m). From this analysis it was verified that the EnergyPlus programme has a problem related to both the DF and the external illuminance values. A comparison between the DF values calculated using the three programmes shows that there is a problem in EnergyPlus related to solving the internal reflection, such that the greater the importance of the portion of light reflected, the greater the difference found between the programmes. A comparison between the calculated and measured external horizontal illuminances shows differences greater than 100% both for the diffuse and direct illuminances indicating that the EnergyPlus programme overestimates these values. (author)

  14. First principles study of electronic properties, interband transitions and electron energy loss of α-graphyne

    Science.gov (United States)

    Behzad, Somayeh

    2016-04-01

    The electronic and optical properties of α-graphyne sheet are investigated by using density functional theory. The results confirm that α-graphyne sheet is a zero-gap semimetal. The optical properties of the α-graphyne sheet such as dielectric function, refraction index, electron energy loss function, reflectivity, absorption coefficient and extinction index are calculated for both parallel and perpendicular electric field polarizations. The optical spectra are strongly anisotropic along these two polarizations. For (E ∥ x), absorption edge is at 0 eV, while there is no absorption below 8 eV for (E ∥ z).

  15. Control of Refrigeration Systems for Trade-off between Energy Consumption and Food Quality Loss

    DEFF Research Database (Denmark)

    Cai, Junping

    In supermarkets, control strategies determine both the energy consumption of refrigeration systems and the quality loss of refrigerated foodstuffs. The question is, what can be done to optimize the balance between quality loss and energy consumption? This thesis tries to answer this question...... by applying two main optimization strategies to traditional refrigeration systems. The first strategy is a new defrost-on-demand scheme, which based on an objective function between quality loss and energy consumption, continuously seeks an optimal time interval for defrosting in dynamic situation. The second...... strategy is through utilization of the thermal mass of the refrigerated foodstuffs, the day-night temperature variation and the capacity control of the compressor, to realize a trade-off between system energy consumption and food quality loss....

  16. Fusion-product transport in axisymmetric tokamaks: losses and thermalization

    International Nuclear Information System (INIS)

    Hively, L.M.

    1980-01-01

    High-energy fusion-product losses from an axisymmetric tokamak plasma are studied. Prompt-escape loss fluxes (i.e. prior to slowing down) are calculated including the non-separable dependence of flux as a function of poloidal angle and local angle-of-incidence at the first wall. Fusion-product (fp) thermalization and heating are calculated assuming classical slowing down. The present analytical model describes fast ion orbits and their distribution function in realistic, high-β, non-circular tokamak equilibria. First-orbit losses, trapping effects, and slowing-down drifts are also treated

  17. Acceleration and energy loss in N = 4 SYM

    International Nuclear Information System (INIS)

    Chernicoff, Mariano; Gueijosa, Alberto

    2009-01-01

    This contribution is based on two talks given at the XIII Mexican School of Particles and Fields. We revisit some of the results presented in [19], concerning the rate of energy loss of an accelerating quark in strongly-coupled N = 4 super-Yang-Mills.

  18. Acceleration and energy loss in N = 4 SYM

    Science.gov (United States)

    Chernicoff, Mariano; Güijosa, Alberto

    2009-04-01

    This contribution is based on two talks given at the XIII Mexican School of Particles and Fields. We revisit some of the results presented in [19], concerning the rate of energy loss of an accelerating quark in strongly-coupled N = 4 super-Yang-Mills.

  19. Advancing Drug Discovery through Enhanced Free Energy Calculations.

    Science.gov (United States)

    Abel, Robert; Wang, Lingle; Harder, Edward D; Berne, B J; Friesner, Richard A

    2017-07-18

    A principal goal of drug discovery project is to design molecules that can tightly and selectively bind to the target protein receptor. Accurate prediction of protein-ligand binding free energies is therefore of central importance in computational chemistry and computer aided drug design. Multiple recent improvements in computing power, classical force field accuracy, enhanced sampling methods, and simulation setup have enabled accurate and reliable calculations of protein-ligands binding free energies, and position free energy calculations to play a guiding role in small molecule drug discovery. In this Account, we outline the relevant methodological advances, including the REST2 (Replica Exchange with Solute Temperting) enhanced sampling, the incorporation of REST2 sampling with convential FEP (Free Energy Perturbation) through FEP/REST, the OPLS3 force field, and the advanced simulation setup that constitute our FEP+ approach, followed by the presentation of extensive comparisons with experiment, demonstrating sufficient accuracy in potency prediction (better than 1 kcal/mol) to substantially impact lead optimization campaigns. The limitations of the current FEP+ implementation and best practices in drug discovery applications are also discussed followed by the future methodology development plans to address those limitations. We then report results from a recent drug discovery project, in which several thousand FEP+ calculations were successfully deployed to simultaneously optimize potency, selectivity, and solubility, illustrating the power of the approach to solve challenging drug design problems. The capabilities of free energy calculations to accurately predict potency and selectivity have led to the advance of ongoing drug discovery projects, in challenging situations where alternative approaches would have great difficulties. The ability to effectively carry out projects evaluating tens of thousands, or hundreds of thousands, of proposed drug candidates

  20. [Energy and memory efficient calculation of the accommodation demand in the artificial accommodation system].

    Science.gov (United States)

    Nagel, J A; Beck, C; Harms, H; Stiller, P; Guth, H; Stachs, O; Bretthauer, G

    2010-12-01

    Presbyopia and cataract are gaining more and more importance in the ageing society. Both age-related complaints are accompanied with a loss of the eye's ability to accommodate. A new approach to restore accommodation is the Artificial Accommodation System, an autonomous micro system, which will be implanted into the capsular bag instead of a rigid intraocular lens. The Artificial Accommodation System will, depending on the actual demand for accommodation, autonomously adapt the refractive power of its integrated optical element. One possibility to measure the demand for accommodation non-intrusively is to analyse eye movements. We present an efficient algorithm, based on the CORDIC technique, to calculate the demand for accommodation from magnetic field sensor data. It can be shown that specialised algorithms significantly shorten calculation time without violating precision requirements. Additionally, a communication strategy for the wireless exchange of sensor data between the implants of the left and right eye is introduced. The strategy allows for a one-sided calculation of the demand for accommodation, resulting in an overall reduction of calculation time by 50 %. The presented methods enable autonomous microsystems, such as the Artificial Accommodation System, to save significant amounts of energy, leading to extended autonomous run-times. © Georg Thieme Verlag KG Stuttgart · New York.

  1. Atmospheric photochemical loss of H and H2 from formaldehyde

    DEFF Research Database (Denmark)

    Simonsen, Jens Bæk; Rusteika, Nerijus; Johnson, Matthew Stanley

    2008-01-01

    We have performed ab initio calculations to examine the potential energy along the normal modes of ground-state HCHO and along the reaction coordinates for loss of H2 and atomic hydrogen, respectively. This exploration showed that there are no specific features that will lead to reaction on the e......We have performed ab initio calculations to examine the potential energy along the normal modes of ground-state HCHO and along the reaction coordinates for loss of H2 and atomic hydrogen, respectively. This exploration showed that there are no specific features that will lead to reaction...... on the excited-state surfaces for excitations that are relevant to the troposphere and stratosphere. The calculations did however lead to the localization of a conical intersection point through which a specific loss of H2 could take place. However, the conical intersection lies at 5.4 eV relative to the ground...

  2. Characteristic electron energy loss in lanthanum films adsorbed on tungsten (110) single crystal

    International Nuclear Information System (INIS)

    Gorodetskij, D.A.; Gorchinskij, A.D.; Kobylyanskij, A.V.

    1988-01-01

    The spectrum of electron energy loss (ELS) in a wide range of energy loss 0-150 eV has been studied for La films adsorbed on W(110) single crystal with the coverage Θ from submonolayer to a few monolayers. The concentration dependence of loss energy peaks amplitude of different nature has been studied for the adsorption of rare earth element on refractory substrate. It has been shown that the essential information for the interpretation of the energy loss nature may be obtained by the investigation of such dependences for La adsorption on W(110). It is found that the surface and bulk plasmons peaks appear in ELS of La-W(110) system before the completion of the physical monolayer. Thus, the collectivization of valence electrons in the rare earth element film at the transition metal surface ensues for the submonolayer coverage like in the case of collective processes in alkali and alkaline earth element films

  3. Finite element calculation of the interaction energy of shape memory alloy

    International Nuclear Information System (INIS)

    Yang, Seung Yong

    2004-01-01

    Strain energy due to the mechanical interaction between self-accommodation groups of martensitic phase transformation is called interaction energy. Evaluation of the interaction energy should be accurate since the energy appears in constitutive models for predicting the mechanical behavior of shape memory alloy. In this paper, the interaction energy is evaluated in terms of theoretical formulation and explicit finite element calculation. A simple example with two habit plane variants was considered. It was shown that the theoretical formulation assuming elastic interaction between the self-accommodation group and matrix gives larger interaction energy than explicit finite element calculation in which transformation softening is accounted for

  4. Energy Drinks, Weight Loss, and Disordered Eating Behaviors

    Science.gov (United States)

    Jeffers, Amy J.; Vatalaro Hill, Katherine E.; Benotsch, Eric G.

    2014-01-01

    Objective: The present study examined energy drink consumption and relations with weight loss attempts and behaviors, body image, and eating disorders. Participants/Methods: This is a secondary analysis using data from 856 undergraduate students who completed the American College Health Association-National College Health Assessment II…

  5. Calculation of transformers leakage reactance using electromagnetic energy technique

    International Nuclear Information System (INIS)

    Feiz, J.; Mohseni, H.; Sabet Marzooghi, S.; Naderian Jahromi, A.

    2004-01-01

    Determination of transformer leakage reactance using magnetic cores has long been an area of interest to engineers involved in the design of power and distribution transformers. This is required for predicting the performance of transformers before actual assembly of the transformers. In this paper a closed form solution technique applicable to the leakage reactance calculations for transformers is presented. An emphasis is on the development of a simple method to calculate the leakage reactance of the distribution transformers and smaller transformers. Energy technique procedure for computing the leakage reactances in distribution transformers is presented. This method is very efficient compared with the use of flux element and image technique and is also remarkably accurate. Examples of calculated leakage inductances and the short circuit impedance are given for illustration. For validation, the results are compared with the results obtained using test. This paper presents a novel technique for calculation of the leakage inductance in different parts of the transformer using the electromagnetic stored energy

  6. Neutron energy spectra calculations in the low power research reactor

    International Nuclear Information System (INIS)

    Omar, H.; Khattab, K.; Ghazi, N.

    2011-01-01

    The neutron energy spectra have been calculated in the fuel region, inner and outer irradiation sites of the zero power research reactor using the MCNP-4C code and the combination of the WIMS-D/4 transport code for generation of group constants and the three-dimensional CITATION diffusion code for core analysis calculations. The neutron energy spectrum has been divided into three regions and compared with the proposed empirical correlations. The calculated thermal and fast neutron fluxes in the low power research reactor MNSR inner and outer irradiation sites have been compared with the measured results. Better agreements have been noticed between the calculated and measured results using the MCNP code than those obtained by the CITATION code. (author)

  7. The effects of degeneracy of the carrier ensemble on the energy loss rate and the high field mobility characteristics under the conditions of low lattice temperatures

    International Nuclear Information System (INIS)

    Basu, A.; Das, B.; Middya, T.R.; Bhattacharya, D.P.

    2017-01-01

    The rate of loss of energy of the non-equilibrium electrons to the acoustic mode lattice vibration in a degenerate semiconductor is obtained under the condition, when the lattice temperature is low enough, so that the traditional approximations like the elastic nature of the electron-phonon collisions and the truncation of the phonon distribution to the equipartition law are not valid any more. Using the results of the energy loss rate, the non-ohmic mobility is then calculated. Evaluating the loss rate and the non-ohmic mobility in degenerate samples of Si and Ge we find that significant changes in both the characteristics have been effected compared to that in the non-degenerate samples, in the regime of lower energy and for relatively lower fields. The effected changes are more significant the lower the lattice temperature is.

  8. Precise calculation of the energies of heavy hydrogenlike ions

    International Nuclear Information System (INIS)

    Driker, M.N.; Ivanova, E.P.; Ivanov, L.N.

    1983-01-01

    Energies of the 1s, 2s, and 2p states are calculated for hydrogenlike ions with z = 30--170. The calculation is based on Dirac's equation taking into account radiation effects and the finiteness of the nucleus. The hyperfine splitting constants are calculated taking the finiteness of the nucleus into account, and derivatives are taken with respect to the volume of the nucleus for all S-state characteristics

  9. Equivalence of Stress and Energy Calculations of Mean Stress

    DEFF Research Database (Denmark)

    Pedersen, Ole Bøcker; Brown, L. M.

    1977-01-01

    Calculations of the mean stress in a plastically deformed matrix containing randomly distributed elastic inclusions are considered. The mean stress for an elastically homogeneous material is calculated on the basis of an energy consideration which completely accounts for elastic interactions....... The result is shown to be identical to that obtained from a stress calculation. The possibility of including elastic interactions in the case of elastic inhomogeneity is discussed....

  10. Jet suppression and the flavor dependence of partonic energy loss with ATLAS

    Energy Technology Data Exchange (ETDEWEB)

    Kosek, Tomas

    2016-12-15

    In relativistic heavy ion collisions, a hot medium with a high density of unscreened color charges is produced. One manifestation of the energy loss of jets propagating through the medium is a lower yield of jets and hadrons emerging from this medium than expected in the absence of medium effects. Therefore modifications of the jet yield are directly sensitive to the energy loss mechanism. Furthermore, jets with different flavor content are expected to be affected by the medium in different ways. In this publication, the latest ATLAS results on single hadron suppression along with the complementary measurements of single jet suppression are presented. Rapidity dependence, which is sensitive to the relative energy loss between quark and gluon jets, is discussed. Finally, a new measurement of jet fragmentation functions is presented.

  11. An investigation of fission models for high-energy radiation transport calculations

    International Nuclear Information System (INIS)

    Armstrong, T.W.; Cloth, P.; Filges, D.; Neef, R.D.

    1983-07-01

    An investigation of high-energy fission models for use in the HETC code has been made. The validation work has been directed checking the accuracy of the high-energy radiation transport computer code HETC to investigate the appropriate model for routine calculations, particularly for spallation neutron source applications. Model calculations are given in terms of neutron production, fission fragment energy release, and residual nuclei production for high-energy protons incident on thin uranium targets. The effect of the fission models on neutron production from thick uranium targets is also shown. (orig.)

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  13. Energy loss, range and fluence distributions, total reaction and projectile fragment production cross sections for proton-nucleus and nucleus-nucleus interactions

    International Nuclear Information System (INIS)

    Sihver, L.; Kanai, T.

    1992-07-01

    We have developed a computer code for calculations of energy loss (dE/dx) and range distributions for heavy ions in any media. The results from our calculations are in very good agreement with previous calculations. We have developed semiempirical total reaction cross section formulae for proton-nucleus (with Z p ≤26) and nucleus-nucleus (with Z p and Z t ≤26) reactions. These formulae apply for incident energies above 15 MeV and 100 MeV/nucleon respectively. From the total reaction cross sections, we can calculate the mean free paths and the fluence distributions of protons and heavy ions in any media. We have compared all the calculated reaction cross sections and the mean free paths with experimental data, and the agreement is good. We have also constructed a procedure for calculating projectile fragment production cross sections, by scaling semiempirical proton-nucleus partial cross section systematics. The scaling is performed using a scaling parameter deduced from our reaction cross sections formulae, and additional enhancements factors. All products with atomic number ranging from that of the projectile (Z p ) down to Z=2 can be calculated. The agreement between the calculated cross sections and the experimental data is better than earlier published results. (author)

  14. Testing the rationality of DOE's energy price forecasts under asymmetric loss preferences

    International Nuclear Information System (INIS)

    Mamatzakis, E.; Koutsomanoli-Filippaki, A.

    2014-01-01

    This paper examines the rationality of the price forecasts for energy commodities of the United States Department of Energy's (DOE), departing from the common assumption in the literature that DOE's forecasts are based on a symmetric underlying loss function with respect to positive vs. negative forecast errors. Instead, we opt for the methodology of Elliott et al. (2005) that allows testing the joint hypothesis of an asymmetric loss function and rationality and reveals the underlying preferences of the forecaster. Results indicate the existence of asymmetries in the shape of the loss function for most energy categories with preferences leaning towards optimism. Moreover, we also examine whether there is a structural break in those preferences over the examined period, 1997–2012. - Highlights: • Examine the rationality of DOE energy forecasts. • Departing from a symmetric underlying loss function. • Asymmetries exist in most energy prices. • Preferences lean towards optimism. • Examine structural breaks in those preferences

  15. Measurement of the energy loss of heavy ions in laser-produced plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Knobloch-Maas, Renate

    2009-11-25

    The interaction of ions with plasma is not yet fully understood today, although it is important for inertial fusion technology. During recent years, the energy loss of heavy ions in plasma has therefore been a subject of research in the Laser and Plasma Physics group of Darmstadt University of Technology. Several experiments were carried out at the Gesellschaft fuer Schwerionenforschung (GSI) in Darmstadt using laser-created plasma, thereby taking advantage of the unique combination of GSI's accelerator facility and the laser system nhelix, which is also described in this work. The experiments focus on the measurement of the energy loss of medium heavy ions in a plasma created by directly heating a thin carbon foil with the nhelix laser, at an energy of about 50 J. In order to measure the energy loss using a time-of-flight method, a stop detector is used to register the arrival of the ion pulses after passing the plasma and a 12 m drift space. At the beginning of the work on this thesis, the ion detector types formerly used were found to be inadequately suited to the difficult task; this was changed during this thesis. The ion detector has to be able to temporarily resolve ion pulses with a frequency of 108 MHz and a width (FWHM) of 3 ns at a very low current. It also has to withstand the X-ray burst from the plasma with a dead time shorter than the difference between the X-ray and the ion time of flight between the plasma and the detector. In order to satisfy these and other demands, a new diamond detector was designed and has now been used for several measurements. In addition to the new detector, other improvements were made concerning the diagnostics and the laser. The laser-created plasma now reaches a maximum temperature exceeding 200 eV and a free electron density of up to 10{sup 22} cm{sup -3}. With this greatly improved setup, energy loss data could be obtained with a temporal resolution several times better than before, using an ion beam with a

  16. Measurement of the energy loss of heavy ions in laser-produced plasmas

    International Nuclear Information System (INIS)

    Knobloch-Maas, Renate

    2009-01-01

    The interaction of ions with plasma is not yet fully understood today, although it is important for inertial fusion technology. During recent years, the energy loss of heavy ions in plasma has therefore been a subject of research in the Laser and Plasma Physics group of Darmstadt University of Technology. Several experiments were carried out at the Gesellschaft fuer Schwerionenforschung (GSI) in Darmstadt using laser-created plasma, thereby taking advantage of the unique combination of GSI's accelerator facility and the laser system nhelix, which is also described in this work. The experiments focus on the measurement of the energy loss of medium heavy ions in a plasma created by directly heating a thin carbon foil with the nhelix laser, at an energy of about 50 J. In order to measure the energy loss using a time-of-flight method, a stop detector is used to register the arrival of the ion pulses after passing the plasma and a 12 m drift space. At the beginning of the work on this thesis, the ion detector types formerly used were found to be inadequately suited to the difficult task; this was changed during this thesis. The ion detector has to be able to temporarily resolve ion pulses with a frequency of 108 MHz and a width (FWHM) of 3 ns at a very low current. It also has to withstand the X-ray burst from the plasma with a dead time shorter than the difference between the X-ray and the ion time of flight between the plasma and the detector. In order to satisfy these and other demands, a new diamond detector was designed and has now been used for several measurements. In addition to the new detector, other improvements were made concerning the diagnostics and the laser. The laser-created plasma now reaches a maximum temperature exceeding 200 eV and a free electron density of up to 10 22 cm -3 . With this greatly improved setup, energy loss data could be obtained with a temporal resolution several times better than before, using an ion beam with a diameter of only

  17. Measurement of the band gap by reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Vos, Maarten, E-mail: maarten.vos@anu.edu.au [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); King, Sean W. [Logic Technology Development, Intel Corporation, Hillsboro, OR 97124 (United States); French, Benjamin L. [Ocotillo Materials Laboratory, Intel Corporation, Chandler, AZ 85248 (United States)

    2016-10-15

    Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

  18. Measurement of the band gap by reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Vos, Maarten; King, Sean W.; French, Benjamin L.

    2016-01-01

    Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

  19. Energy loss mechanism for suspended micro- and nanoresonators due to the Casimir force

    OpenAIRE

    Gusso, André

    2011-01-01

    A so far not considered energy loss mechanism in suspended micro- and nanoresonators due to noncontact acoustical energy loss is investigated theoretically. The mechanism consists on the conversion of the mechanical energy from the vibratory motion of the resonator into acoustic waves on large nearby structures, such as the substrate, due to the coupling between the resonator and those structures resulting from the Casimir force acting over the separation gaps. Analytical expressions for the ...

  20. High-resolution electron-energy-loss spectroscopy studies of clean and hydrogen-covered tungsten (100) surfaces

    International Nuclear Information System (INIS)

    Woods, J.P.

    1986-01-01

    High-resolution (10-meV FWHM) low-energy (≤ 100eV) electrons are scattered from the tungsten (100) surface. Electron-energy-loss spectroscopy (EELS) selection rules are utilized to identify vibrational modes of the surface tungsten atoms. A 36-meV mode is measured on the c(2 X 2) thermally reconstructed surface and is modeled as an overtone of the 18-meV mode at M in the surface Brillouin zone. The superstructure of the reconstructed surface allows this mode to be observed in specular scattering. The surface tungsten atoms return to their bulk lateral positions with saturated hydrogen (β 1 phase) adsorption; and a 26-meV mode identified is due to the perpendicular vibration of the surface tungsten layers. The clean-room temperature surface does not display either low-energy vibrations and the surface is modeled as disordered. The three β 1 phase hydrogen vibrations are observed and a new vibration at 118 meV is identified. The 118-meV cross section displays characteristics of a parallel mode, but calculations show this assignment to be erroneous. There are two hydrogen atoms for each surface tungsten atom in the β 1 phase, and lattice-dynamical calculations show that the 118-meV mode is due to a hydrogen-zone edge vibration. The predicted breakdown of the parallel hydrogen vibration selection rule was not observed

  1. Calculated intensity of high-energy neutron beams

    International Nuclear Information System (INIS)

    Mustapha, B.; Nolen, J.A.; Back, B.B.

    2004-01-01

    The flux, energy and angular distributions of high-energy neutrons produced by in-flight spallation and fission of a 400 MeV/A 238 U beam and by the break-up of a 400 MeV/A deuteron beam are calculated. In both cases very intense secondary neutron beams are produced, peaking at zero degrees, with a relatively narrow energy spread. Such secondary neutron beams can be produced with the primary beams from the proposed rare isotope accelerator driver linac. The break-up of a 400 kW deuteron beam on a liquid-lithium target can produce a neutron flux of >10 10 neutrons/cm 2 /s at a distance of 10 m from the target

  2. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    Science.gov (United States)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  3. Calculations for very low energy scattering of positrons by molecular hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, J.N. [School of Mathematical Sciences, University of Nottingham, Nottingham NG7 2RD (United Kingdom)], E-mail: james.cooper@maths.nottingham.ac.uk; Armour, E.A.G. [School of Mathematical Sciences, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

    2008-02-15

    We give a progress report on ongoing calculations of phase shifts for very low energy elastic scattering of positrons by molecular hydrogen, using the generalised Kohn variational method. Further, provisional calculations of Z{sub eff} for molecular hydrogen at low energies are presented and discussed. The preliminary nature of the work is emphasised throughout.

  4. Calculation of radiation loss of 1. 2 GeV-electrons in a thick silicon monocrystal

    Energy Technology Data Exchange (ETDEWEB)

    Keshtova, S.V.; Komarov, F.F.; Telegin, V.I.

    1988-10-01

    The angular distribution of radiation loss of different fractions of 1.2 GeV-electrons during axial channeling in a Si monocrystal of 1.6 mm thickness is discussed. The results of the numerical calculations are compared with the experimental data.

  5. A new approach to the electron self energy calculation

    International Nuclear Information System (INIS)

    Persson, H.; Lindgren, I.; Salomonson, S.

    1993-01-01

    We present a new practical way to calculate the first order self energy in any model potential (local or non-local). The main idea is to introduce a new straightforward way of renormalization to avoid the usual potential expansion implying a large number of diagrams in higher order QED effects. The renormalization procedure is based on defining the divergent mass term in coordinate space and decomposing it into a divergent sum over finite partial wave contributions. The unrenormalized bound self energy is equally decomposed into a partial wave (l) sum. For each partial wave the difference is taken and the sum becomes convergent. The comparably rapid asymptotic behaviour of the method is l -3 . The method is applied to lithium-like uranium, and the self energy in a Coulomb field, the finite nucleus effect and the screened self energy is calculated to an accuracy of at least one tenth of an eV. (orig.)

  6. Dose calculation methods in photon beam therapy using energy deposition kernels

    International Nuclear Information System (INIS)

    Ahnesjoe, A.

    1991-01-01

    The problem of calculating accurate dose distributions in treatment planning of megavoltage photon radiation therapy has been studied. New dose calculation algorithms using energy deposition kernels have been developed. The kernels describe the transfer of energy by secondary particles from a primary photon interaction site to its surroundings. Monte Carlo simulations of particle transport have been used for derivation of kernels for primary photon energies form 0.1 MeV to 50 MeV. The trade off between accuracy and calculational speed has been addressed by the development of two algorithms; one point oriented with low computional overhead for interactive use and one for fast and accurate calculation of dose distributions in a 3-dimensional lattice. The latter algorithm models secondary particle transport in heterogeneous tissue by scaling energy deposition kernels with the electron density of the tissue. The accuracy of the methods has been tested using full Monte Carlo simulations for different geometries, and found to be superior to conventional algorithms based on scaling of broad beam dose distributions. Methods have also been developed for characterization of clinical photon beams in entities appropriate for kernel based calculation models. By approximating the spectrum as laterally invariant, an effective spectrum and dose distribution for contaminating charge particles are derived form depth dose distributions measured in water, using analytical constraints. The spectrum is used to calculate kernels by superposition of monoenergetic kernels. The lateral energy fluence distribution is determined by deconvolving measured lateral dose distributions by a corresponding pencil beam kernel. Dose distributions for contaminating photons are described using two different methods, one for estimation of the dose outside of the collimated beam, and the other for calibration of output factors derived from kernel based dose calculations. (au)

  7. Simulations of the energy loss of ions at the stopping-power maximum in a laser-induced plasma

    International Nuclear Information System (INIS)

    Cayzac, W.; Malka, G.; Frank, A.; Bagnoud, V.; Blažević, A.; Schlegel, T.; Ortner, A.; Bedacht, S.; Deppert, O.; Knetsch, A.; Schaumann, G.; Wagner, F.; Basko, M.M.; Gericke, D.O.; Hallo, L.; Pépitone, K.; Kraus, D.; Schumacher, D.; Tauschwitz, An.; Vorberger, J.

    2016-01-01

    Simulations have been performed to study the energy loss of carbon ions in a hot, laser-generated plasma in the velocity region of the stopping-power maximum. In this parameter range, discrepancies of up to 30% exist between the various stopping theories and hardly any experimental data are available. The considered plasma, created by irradiating a thin carbon foil with two high-energy laser beams, is fully-ionized with a temperature of nearly 200 eV. To study the interaction at the maximum stopping power, Monte-Carlo calculations of the ion charge state in the plasma are carried out at a projectile energy of 0.5 MeV per nucleon. The predictions of various stopping-power theories are compared and experimental campaigns are planned for a first-time theory benchmarking in this low-velocity range. (paper)

  8. 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

  9. Calculated microdose spectra for intermediate energy neutrons (1 to 100 keV)

    International Nuclear Information System (INIS)

    Al-Affan, I.A.M.; Watt, D.E.

    1983-01-01

    Basic formulae for calculation of energy deposition events due to insiders, starters, stoppers and crossers, using the continuous slowing down approximation have been modified to allow for the enhanced energy deposition in spherical volumes due to elastic scattering interactions which reduce the penetration depth of the charged particle recoils. Energy deposition spectra have been obtained for energies of 1, 10, 50, 100 keV in 0.2 μm and 1 μm tissue-equivalent spheres. From these, frequency and dose distributions in lineal energy and in specific energy density have been calculated. Also calculated for different neutron energies are values of zeta, the energy average of event size, as a function of the diameter of the sensitive site. The structure of the energy event distributions can be interpreted in terms of the basic physics. The effect of the modifications to the basic formulae is to increase the number of energy deposition events due to insiders and to decrease the number of starters, stoppers and crossers. The degree of the effect increases with decreasing neutron energy, increasing sphere size, and the change is most significant for low energy deposition events. (author)

  10. Calculated microdose spectra for intermediate energy neutrons (1 to 100 keV)

    Energy Technology Data Exchange (ETDEWEB)

    Al-Affan, I.A.M.; Watt, D.E. (Dundee Univ. (UK). Dept. of Medical Biophysics); Colautti, P.; Talpo, G. (Laboratori Nazionali dell' Infn, 35020, Legnaro (Padova) (Italy))

    1983-01-01

    Basic formulae for calculation of energy deposition events due to insiders, starters, stoppers and crossers, using the continuous slowing down approximation have been modified to allow for the enhanced energy deposition in spherical volumes due to elastic scattering interactions which reduce the penetration depth of the charged particle recoils. Energy deposition spectra have been obtained for energies of 1, 10, 50, 100 keV in 0.2 ..mu..m and 1 ..mu..m tissue-equivalent spheres. From these, frequency and dose distributions in lineal energy and in specific energy density have been calculated. Also calculated for different neutron energies are values of zeta, the energy average of event size, as a function of the diameter of the sensitive site. The structure of the energy event distributions can be interpreted in terms of the basic physics. The effect of the modifications to the basic formulae is to increase the number of energy deposition events due to insiders and to decrease the number of starters, stoppers and crossers. The degree of the effect increases with decreasing neutron energy, increasing sphere size, and the change is most significant for low energy deposition events.

  11. Zero-point energy constraint in quasi-classical trajectory calculations.

    Science.gov (United States)

    Xie, Zhen; Bowman, Joel M

    2006-04-27

    A method to constrain the zero-point energy in quasi-classical trajectory calculations is proposed and applied to the Henon-Heiles system. The main idea of this method is to smoothly eliminate the coupling terms in the Hamiltonian as the energy of any mode falls below a specified value.

  12. Theory of inelastic ion-atom scattering at low and intermediate energies

    Science.gov (United States)

    Schmid, G. B.; Garcia, J. D.

    1977-01-01

    Ab initio calculations are presented of inelastic energy loss and ionization phenomena associated with Ar(+)-Ar collisions at small distances of closest approach and for laboratory collision energies ranging from several keV to several hundred keV. Outer-shell excitations are handled statistically; inner-shell excitations are calculated from the viewpoint of quasidiabatic molecular orbital promotion. Auger electron yield, average state of ionization, and average inelastic energy loss are calculated per collision as a function of distance of closest approach of the collision partners for several laboratory collision energies. Average charge-state probabilities per collision partner are calculated as a function of the average inelastic energy loss per atom. It is shown that the structure in the data is due to the underlying structure in the inner-shell independent-electron quasimolecular promotion probabilities.

  13. Skipping meals and alcohol consumption. The regulation of energy intake and expenditure among weight loss participants.

    Science.gov (United States)

    Carels, Robert A; Young, Kathleen M; Coit, Carissa; Clayton, Anna Marie; Spencer, Alexis; Wagner, Marissa

    2008-11-01

    Research suggests that specific eating patterns (e.g., eating breakfast) may be related to favorable weight status. This investigation examined the relationship between eating patterns (i.e., skipping meals; consuming alcohol) and weight loss treatment outcomes (weight loss, energy intake, energy expenditure, and duration of exercise). Fifty-four overweight or obese adults (BMI> or =27 kg/m(2)) participated in a self-help or therapist-assisted weight loss program. Daily energy intake from breakfast, lunch, dinner, and alcoholic beverages, total daily energy intake, total daily energy expenditure, physical activity, and weekly weight loss were assessed. On days that breakfast or dinner was skipped, or alcoholic beverages were not consumed, less total daily energy was consumed compared to days that breakfast, dinner, or alcoholic beverages were consumed. On days that breakfast or alcohol was consumed, daily energy expenditure (breakfast only) and duration of exercise were higher compared to days that breakfast or alcohol was not consumed. Individuals who skipped dinner or lunch more often had lower energy expenditure and exercise duration than individuals who skipped dinner or lunch less often. Individuals who consumed alcohol more often had high daily energy expenditure than individuals who consumed alcohol less often. Skipping meals or consuming alcoholic beverages was not associated with weekly weight loss. In this investigation, weight loss program participants may have compensated for excess energy intake from alcoholic beverages and meals with greater daily energy expenditure and longer exercise duration.

  14. Calculation of radiation loss of 1.2 GeV-electrons in a thick silicon monocrystal

    International Nuclear Information System (INIS)

    Keshtova, S.V.; Komarov, F.F.

    1988-01-01

    The angular distribution of radiation loss of different fractions of 1.2 GeV-electrons during axial channeling in a Si monocrystal of 1.6 mm thickness is discussed. The results of the numerical calculations are compared with the experimental data. (author)

  15. Energy-loss straggling study of proton and alpha-particle beams incident onto ZrO{sub 2} and Al{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Behar, M.; Fadanelli, R.C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, 91501-970 (Brazil); Abril, I. [Departamento de Fisica Aplicada, Universitat d' Alacant, 03080 Alacant (Spain); Garcia-Molina, R. [Departamento de Fisica, Centro de Investigacion en Optica y Nanofisica, Universidad de Murcia, 30100 Murcia (Spain); Nagamine, L.C.C. [Instituto de Fisica, Universidade de Sao Paulo, C.P.66318, 05315-970 Sao Paulo (Brazil)

    2011-10-15

    The energy-loss straggling of zirconia (ZrO{sub 2}) and alumina (Al{sub 2}O{sub 3}) has been experimentally determined for proton and alpha-particle beams mainly by means of the Rutherford backscattering technique and in some few cases using the transmission method. The incident energies of the projectiles covers a wide range, from 200 keV up to 2000 keV for H{sup +} and from 200 keV up to 4000 keV for He{sup +} in zirconia films. In the case of alumina films the studied energy range was 100 keV - 3000 keV for H{sup +} and 100 keV - 6000 keV for He{sup +}. Our experimental results compare very well with theoretical calculations based on the dielectric formalism and a suitable description of the electronic excitation spectrum of ZrO{sub 2} and Al{sub 2}O{sub 3} films through their energy-loss function. (authors)

  16. Accurate calculation of conformational free energy differences in explicit water: the confinement-solvation free energy approach.

    Science.gov (United States)

    Esque, Jeremy; Cecchini, Marco

    2015-04-23

    The calculation of the free energy of conformation is key to understanding the function of biomolecules and has attracted significant interest in recent years. Here, we present an improvement of the confinement method that was designed for use in the context of explicit solvent MD simulations. The development involves an additional step in which the solvation free energy of the harmonically restrained conformers is accurately determined by multistage free energy perturbation simulations. As a test-case application, the newly introduced confinement/solvation free energy (CSF) approach was used to compute differences in free energy between conformers of the alanine dipeptide in explicit water. The results are in excellent agreement with reference calculations based on both converged molecular dynamics and umbrella sampling. To illustrate the general applicability of the method, conformational equilibria of met-enkephalin (5 aa) and deca-alanine (10 aa) in solution were also analyzed. In both cases, smoothly converged free-energy results were obtained in agreement with equilibrium sampling or literature calculations. These results demonstrate that the CSF method may provide conformational free-energy differences of biomolecules with small statistical errors (below 0.5 kcal/mol) and at a moderate computational cost even with a full representation of the solvent.

  17. 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.

  18. Daily energy expenditure, physical activity, and weight loss in Parkinson's disease patients

    Science.gov (United States)

    Patients with Parkinson's disease (PD) commonly exhibit weight loss (WL) which investigators attribute to various factors, including elevated energy expenditure. We tested the hypothesis that daily energy expenditure (DEE) and its components, resting energy expenditure (REE) and physical activity (P...

  19. Calculation of the atomic states energies in the Thomas - Fermi approximation

    Directory of Open Access Journals (Sweden)

    S. N. Fedotkin

    2017-12-01

    Full Text Available A method for calculating the energies of levels for many-electron neutral atoms is proposed. In this case, in addition to the Coulomb field of the nucleus, an important contribution to the energy is connected with the interaction between the electrons. This interaction is taken into account approximately by perturbation theory in the framework of the Thomas - Fermi statistical model. Using the Taytz approximation for the mean potential the analytical expressions for the energies of s-states are obtained with principal quantum numbers n = 1, 2, 3, 4. The energies are calculated for the nuclear charges in the interval 1 < Z ≤ 100. A good agreement with the experimental values of the energies was obtained.

  20. 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...

  1. Calculation of the surface free energy of fcc copper nanoparticles

    International Nuclear Information System (INIS)

    Jia Ming; Lai Yanqing; Tian Zhongliang; Liu Yexiang

    2009-01-01

    Using molecular dynamics simulations with the modified analytic embedded-atom method we calculate the Gibbs free energy and surface free energy for fcc Cu bulk, and further obtain the Gibbs free energy of nanoparticles. Based on the Gibbs free energy of nanoparticles, we have investigated the heat capacity of copper nanoparticles. Calculation results indicate that the Gibbs free energy and the heat capacity of nanoparticles can be divided into two parts: bulk quantity and surface quantity. The molar heat capacity of the bulk sample is lower compared with the molar heat capacity of nanoparticles, and this difference increases with the decrease in the particle size. It is also observed that the size effect on the thermodynamic properties of Cu nanoparticles is not really significant until the particle is less than about 20 nm. It is the surface atoms that decide the size effect on the thermodynamic properties of nanoparticles

  2. Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

    International Nuclear Information System (INIS)

    Tait, E W; Payne, M C; Ratcliff, L E; Haynes, P D; Hine, N D M

    2016-01-01

    Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree with those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. Finally, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable. (paper)

  3. Annotated references on shielding experiment and calculation of high energy particles

    International Nuclear Information System (INIS)

    Hirayama, H.; Ban, S.; Nakamura, T.

    1990-12-01

    The literature on shielding experiment and calculation of high energy particles above 20 MeV has been surveyed. The survey covers thirteen journals, from 1965 up to 1989. For each paper, applicable information is listed on type and energy of the projectile, the accelerator used, composition and thickness of the target and shielding materials, shielding geometry, the experimental and calculational methods, and the quantities obtained. The references on shielding experiment and on shielding calculation are accessed through two indices which list the projectile-target and shielding material combination, shielding geometry and the projectile energy range. The literature on neutron, photon and hadron production from thick target bombarded by charged particles has been surveyed mainly from 1984 as a complement of the previous work. (author)

  4. Observations of discrete energy loss effects in spectra of positrons reflected from solid surfaces

    International Nuclear Information System (INIS)

    Dale, J.M.; Hulett, L.D.; Pendyala, S.

    1980-01-01

    Surfaces of tungsten and silicon have been bombarded with monoenergetic beams of positrons and electrons. Spectra of reflected particles show energy loss tails with discrete peaks at kinetic energies about 15 eV lower than that of the elastic peaks. In the higher energy loss range for tungsten, positron spectra show fine structure that is not apparent in the electron spectra. This suggests that the positrons are losing energy through mechanisms different from that of the electrons

  5. Suppressing Energy Loss due to Triplet Exciton Formation in Organic Solar Cells: The Role of Chemical Structures and Molecular Packing

    KAUST Repository

    Chen, Xiankai; Wang, Tonghui; Bredas, Jean-Luc

    2017-01-01

    In the most efficient solar cells based on blends of a conjugated polymer (electron donor) and a fullerene derivative (electron acceptor),ultrafast formation of charge-transfer (CT) electronic states at the donor-acceptor interfaces and efficient separation of these CT states into free charges, lead to internal quantum efficiencies near 100%. However, there occur substantial energy losses due to the non-radiative recombinations of the charges, mediated by the loweset-energy (singlet and triplet) CT states; for example, such recombinations can lead to the formation of triplet excited electronic states on the polymer chains, which do not generate free charges. This issue remains a major factor limiting the power conversion efficiencies (PCE) of these devices. The recombination rates are, however, difficult to quantify experimentally. To shed light on these issues, here, an integrated multi-scale theoretical approach that combines molecular dynamics simulations with quantum chemistry calculations is employed in order to establish the relationships among chemical structures, molecular packing, and non-radiative recombination losses mediated by the lowest-energy charge-transfer states.

  6. Suppressing Energy Loss due to Triplet Exciton Formation in Organic Solar Cells: The Role of Chemical Structures and Molecular Packing

    KAUST Repository

    Chen, Xiankai

    2017-04-21

    In the most efficient solar cells based on blends of a conjugated polymer (electron donor) and a fullerene derivative (electron acceptor),ultrafast formation of charge-transfer (CT) electronic states at the donor-acceptor interfaces and efficient separation of these CT states into free charges, lead to internal quantum efficiencies near 100%. However, there occur substantial energy losses due to the non-radiative recombinations of the charges, mediated by the loweset-energy (singlet and triplet) CT states; for example, such recombinations can lead to the formation of triplet excited electronic states on the polymer chains, which do not generate free charges. This issue remains a major factor limiting the power conversion efficiencies (PCE) of these devices. The recombination rates are, however, difficult to quantify experimentally. To shed light on these issues, here, an integrated multi-scale theoretical approach that combines molecular dynamics simulations with quantum chemistry calculations is employed in order to establish the relationships among chemical structures, molecular packing, and non-radiative recombination losses mediated by the lowest-energy charge-transfer states.

  7. Energy coefficients for a propeller series

    DEFF Research Database (Denmark)

    Olsen, Anders Smærup

    2004-01-01

    The efficiency for a propeller is calculated by energy coefficients. These coefficients are related to four types of losses, i.e. the axial, the rotational, the frictional, and the finite blade number loss, and one gain, i.e. the axial gain. The energy coefficients are derived by use...... of the potential theory with the propeller modelled as an actuator disk. The efficiency based on the energy coefficients is calculated for a propeller series. The results show a good agreement between the efficiency based on the energy coefficients and the efficiency obtained by a vortex-lattice method....

  8. Program for the surface muon spectra calculation

    International Nuclear Information System (INIS)

    Arkatov, Yu.M.; Voloshchuk, V.I.; Zolenko, V.A.; Prokhorets, I.M.; Soldatov, S.A.

    1987-01-01

    Program for the ''surface'' muon spectrum calculation is described. The algorithm is based on simulation of coordinates of π-meson birth point and direction of its escape from meson-forming target (MFT) according to angular distribution with the use of Monte Carlo method. Ionization losses of π-(μ)-mesons in the target are taken into account in the program. Calculation of ''surface'' muon spectrum is performed in the range of electron energies from 150 MeV up to 1000 MeV. Spectra of π-mesons are calculated with account of ionization losses in the target and without it. Distributions over lengths of π-meson paths in MFT and contribution of separate sections of the target to pion flux at the outlet of meson channel are calculated as well. Meson-forming target for calculation can be made of any material. The program provides for the use of the MFT itself in the form of photon converter or photon converter is located in front of the target. The program is composed of 13 subprograms; 2 of them represent generators of pseudorandom numbers, distributed uniformly in the range from 0 up to 1, and numbers with Gauss distribution. Example of calculation for copper target of 3 cm length, electron beam current-1 μA, energy-300 MeV is presented

  9. Evolutionary calculations for planetary nebula nuclei with continuing mass loss and realistic starting conditions

    International Nuclear Information System (INIS)

    Faulkner, D.J.; Wood, P.R.

    1984-01-01

    Evolutionary calculations for nuclei of planetary nebulae are described. They were made using assumptions regarding mass of the NPN, phase in the He shell flash cycle at which the NPN leaves the AGB, and time variation of the mass loss rate. Comparison of the evolutionary tracks with the observational Harman-Seaton sequence indicates that some recently published NPN luminosities may be too low by a factor of three. Comparison of the calculated timescales with the observed properties of NPN and of white dwarfs provides marginal evidence for the PN ejection being initiated by the helium shell flash itself

  10. Efficient free energy calculations for compounds with multiple stable conformations separated by high energy barriers

    NARCIS (Netherlands)

    Hritz, J.; Oostenbrink, C.

    2009-01-01

    Compounds with high intramolecular energy barriers represent challenging targets for free energy calculations because of the difficulty to obtain sufficient conformational sampling. Existing approaches are therefore computationally very demanding, thus preventing practical applications for such

  11. A precise measurement of 180 GeV muon energy losses in iron

    CERN Document Server

    Amaral, P; Anderson, K; Artikov, A; Benetta, R; Berglund, S R; Biscarat, C; Blanch, O; Blanchot, G; Bogush, A A; Bohm, C; Boldea, V; Borisov, O N; Bosman, M; Bromberg, C; Bravo, S; Budagov, Yu A; Burdin, S V; Calôba, L P; Camarena, F; Carvalho, J; Castillo, M V; Cavalli-Sforza, M; Cavasinni, V; Cerqueira, A S; Chadelas, R; Chirikov-Zorin, I E; Chlachidze, G; Cobal, M; Cogswell, F; Cologna, S; Constantinescu, S; Costanzo, D; Cowan, Brian; Crouau, M; Daudon, F; David, M; Davidek, T; Dawson, J; De, K; Delfino, M C; Del Prete, T; De Santo, A; Di Girolamo, B; Dita, S; Downing, R; Engström, M; Errede, D; Errede, S; Fassi, F; Fenyuk, A; Ferrer, A; Flaminio, Vincenzo; Flix, J; Garabik, R; Gil, I; Gildemeister, O; Glagoley, V; Gómez, A; González de la Hoz, S; Grabskii, V; Grenier, P; Hakopian, H H; Haney, M; Hellman, S; Henriques, A; Hébrard, C; Higón, E; Holik, P; Holmgren, S O; Hruska, I; Huston, J; Jon-And, K; Kakurin, S; Karyukhin, A N; Khubua, J I; Kopikov, S V; Krivkova, P; Kukhtin, V V; Kulchitskii, Yu A; Kuzmin, M V; Lami, S; Lapin, V; Lazzeroni, C; Lebedev, A; Leitner, R; Li, J; Lomakin, Yu F; Lomakina, O V; Lokajícek, M; López-Amengual, J M; Maio, A; Malyukov, S N; Marroquin, F; Mataix, L; Mazzoni, E; Merritt, F S; Miller, R; Minashvili, I A; Miralles, L; Montarou, G; Némécek, S; Nessi, Marzio; Onofre, A; Ostankov, A P; Pacheco, A; Pallin, D; Pantea, D; Paoletti, R; Park, I C; Pilcher, J E; Pinhão, J; Price, L; Proudfoot, J; Pukhov, O; Reinmuth, G; Renzoni, G; Richards, R; Roda, C; Roldán, J; Romance, J B; Romanov, V; Rosnet, P; Ruiz, H; Rusakovitch, N A; Sanchis, E; Sanders, H; Santoni, C; Santo, J; Says, L P; Seixas, J M; Selldén, B; Semenov, A A; Shcelchkov, A; Shochet, M J; Silva, J; Simaitis, V J; Sissakian, A N; Solodkov, A A; Solovyanov, O; Sosebee, M; Soustruznik, K; Spanó, F; Stanek, R; Starchenko, E A; Stavina, O P; Suk, M; Sykora, I; Tang, F; Tas, P; Thaler, J J; Thome-Filho, Z D; Tokar, S; Topilin, N D; Valklar, S; Varanda, M J; Vartapetian, A H; Vazeille, F; Vichou, I; Vinogradov, V; Vorozhtsov, S B; White, A; Wolters, H; Yamdagni, N; Yarygin, G; Yosef, C; Zaitsev, A

    2001-01-01

    The energy loss spectrum of 180 GeV muons has been measured with the 5.6 m long finely segmented Module 0 of the ATLAS hadron tile calorimeter at the CERN SPS. The differential probability dP/d nu per radiation length of a fractional energy loss nu = Delta E/sub mu //E /sub mu / has been measured in the range 0.025energy losses due to bremsstrahlung, production of electron-positron pairs, and energetic knock-on electrons. The iron elastic form factor correction Delta /sub Fe//sup el/=1.63+or-0.17/sub stat/+or-023/sub syst$/ -/sub 0.14 //sup +0.20//sub theor/ to muon bremsstrahlung in the region of no screening of the nucleus by atomic electrons has been measured for the first time, and is compared with different theoretical predictions. (31 refs).

  12. Energy and exergy analyses of the diffusion absorption refrigeration system

    International Nuclear Information System (INIS)

    Yıldız, Abdullah; Ersöz, Mustafa Ali

    2013-01-01

    This paper describes the thermodynamic analyses of a DAR (diffusion absorption refrigeration) cycle. The experimental apparatus is set up to an ammonia–water DAR cycle with helium as the auxiliary inert gas. A thermodynamic model including mass, energy and exergy balance equations are presented for each component of the DAR cycle and this model is then validated by comparison with experimental data. In the thermodynamic analyses, energy and exergy losses for each component of the system are quantified and illustrated. The systems' energy and exergy losses and efficiencies are investigated. The highest energy and exergy losses occur in the solution heat exchanger. The highest energy losses in the experimental and theoretical analyses are found 25.7090 W and 25.4788 W respectively, whereas those losses as to exergy are calculated 13.7933 W and 13.9976 W. Although the values of energy efficiencies obtained from both the model and experimental studies are calculated as 0.1858, those values, in terms of exergy efficiencies are found 0.0260 and 0.0356. - Highlights: • The diffusion absorption refrigerator system is designed manufactured and tested. • The energy and exergy analyses of the system are presented theoretically and experimentally. • The energy and exergy losses are investigated for each component of the system. • The highest energy and exergy losses occur in the solution heat exchanger. • The energy and the exergy performances are also calculated

  13. Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation

    Directory of Open Access Journals (Sweden)

    Koji Ogata

    2018-02-01

    Full Text Available The octanol–water partition coefficient (logPow is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the logPow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆Gwater values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of logPow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted logPow values.

  14. Definition of loss-of-coolant accident radiation source

    International Nuclear Information System (INIS)

    1978-02-01

    Meaningful qualification testing of nuclear reactor components requires a knowledge of the radiation fields expected in a loss-of-coolant accident (LOCA). The overall objective of this program is to define the LOCA source terms and compare these with the output of various simulators employed for radiation qualification testing. The basis for comparison will be the energy deposition in a model reactor component. The results of the calculations are presented and some interpretation of the results given. The energy release rates and spectra were validated by comparison with other calculations using different codes since experimental data appropriate to these calculations do not exist

  15. Reaction rate and energy-loss rate for photopair production by relativistic nuclei

    Science.gov (United States)

    Chodorowski, Michal J.; Zdziarski, Andrzej A.; Sikora, Marek

    1992-01-01

    The process of e(+/-) pair production by relativistic nuclei on ambient photons is considered. The process is important for cosmic-ray nuclei in interstellar and intergalactic space as well as in galactic and extragalactic compact objects. The rate of this process is given by an integral of the cross section over the photon angular and energy distribution. In the case of isotropic photons, the angular integration is performed to provide an expression for the rate at given photon energy in the nucleus rest frame. The total rate then becomes a single integral of that rate over the photon energy distribution. Formulas are also given for the fractional energy loss of a relativistic nucleus colliding with a photon of a given energy in the rest frame. The nucleus energy-loss rate is integrated over the photon angular distribution in the case of isotropic photons, and simple fits are provided.

  16. Modelling of prompt losses of high energy charged particles in Tokamaks

    International Nuclear Information System (INIS)

    Dillner, Oe.; Anderson, D.; Hamnen, H.; Lisak, M.

    1990-01-01

    A simple analytical expression for the total prompt loss fraction of high energy charged particles in an axisymmetric Tokamak is derived. The results are compared with predictions obtained from numerical simulations and show good agreement. An application is made to sawtooth induced changes in the losses of fusion generated high energy charged particles. Particular emphasis is given to the importance of sawtooth induced profile changes of the background ion densities and temperature as well as to redistribution of particles which have accumulated during the sawtooth rise but are being lost by redistribution at the sawtooth crash. (au)

  17. Calculation of the Energy Dependence of Dosimeter Response to Ionizing Photons

    DEFF Research Database (Denmark)

    Miller, Arne; McLaughlin, W. L.

    1982-01-01

    Using a program in BASIC applied to a desk-top calculator, simplified calculations provide approximate energy dependence correction factors of dosimeter readings of absorbed dose according to Bragg-Gray cavity theories. Burlin's general cavity theory is applied in the present calculations, and ce...

  18. 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

  19. Calculation of quantum-mechanical system energy spectra using path integrals

    International Nuclear Information System (INIS)

    Evseev, A.M.; Dmitriev, V.P.

    1977-01-01

    A solution of the Feynman quantum-mechanical integral connecting a wave function (psi (x, t)) at a moment t+tau (tau → 0) with the wave function at the moment t is provided by complex variable substitution and subsequent path integration. Time dependence of the wave function is calculated by the Monte Carlo method. The Fourier inverse transformation of the wave function by path integration calculated has been applied to determine the energy spectra. Energy spectra are presented of a hydrogen atom derived from wave function psi (x, t) at different x, as well as boson energy spectra of He, Li, and Be atoms obtained from psi (x, t) at X = O

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

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

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

  1. Perturbation method for calculating impurity binding energy in an ...

    Indian Academy of Sciences (India)

    Nilanjan Sil

    2017-12-18

    Dec 18, 2017 ... Abstract. In the present paper, we have studied the binding energy of the shallow donor hydrogenic impurity, which is confined in an inhomogeneous cylindrical quantum dot (CQD) of GaAs-AlxGa1−xAs. Perturbation method is used to calculate the binding energy within the framework of effective mass ...

  2. 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.

  3. The Fracture Influence on the Energy Loss of Compressed Air Energy Storage in Hard Rock

    Directory of Open Access Journals (Sweden)

    Hehua Zhu

    2015-01-01

    Full Text Available A coupled nonisothermal gas flow and geomechanical numerical modeling is conducted to study the influence of fractures (joints on the complex thermohydromechanical (THM performance of underground compressed air energy storage (CAES in hard rock caverns. The air-filled chamber is modeled as porous media with high porosity, high permeability, and high thermal conductivity. The present analysis focuses on the CAES in hard rock caverns at relatively shallow depth, that is, ≤100 m, and the pressure in carven is significantly higher than ambient pore pressure. The influence of one discrete crack and multiple crackson energy loss analysis of cavern in hard rock media are carried out. Two conditions are considered during each storage and release cycle, namely, gas injection and production mass being equal and additional gas injection supplemented after each cycle. The influence of the crack location, the crack length, and the crack open width on the energy loss is studied.

  4. Electron Energy-Loss Spectroscopy: Fundamentals and applications in the characterization of minerals

    International Nuclear Information System (INIS)

    Krishnan, K.M.

    1989-04-01

    The combined use of an energy-loss spectrometer and an analytical electron microscope with fine probe forming capabilities provides a wealth of information about the sample at high spatial resolution. Fundamental principles governing the physics of the interaction between the fast electron and a thin foil sample, to account for the fine structure in the inelastically scattered fast electron distribution (Electron-Energy Loss Spectroscopy, EELS), will be reviewed. General application of EELS is in the area of low atomic number elements (Z < 11) microanalysis, where it significantly complements the more widely used Energy Dispersive X-ray Spectroscopy (EDXS). However, a careful analysis of the low loss plasmon oscillations and the fine structure in the core-loss edges, can provide additional information related to the bonding and electronic structure of the sample. An illustration of this is presented from our study of Cδ diamond residue from the Allende carbonaceous chondrite. Combination of EELS with channeling effects can provide specific site occupation/valence information in crystalline materials. Details of this novel crystallographic method will be outlined and illustrated with an example of the study of chromite spinels. Finally, some pertinent experimental details will be discussed. 7 figs

  5. EMSH program for calculating electron and photon transport through a matter at energies of 10 keV-1TeV

    International Nuclear Information System (INIS)

    Tayurskij, V.A.

    1989-01-01

    The EMSH program (Electro-Magnetic Shower) for the calculation of 1 keV-1 TeV electron and photon transport through a substance is described. The program is written in FORTRAN for the ES computers. Electron and positron bremsstrahlung, e - e - - and e + e - scattering, positron annihilation, production of e + e - -pairs by photons, photon. Compton scattering, photoelectric effect, photon Rayleigh scattering are taken into account during calculations. The cross sections of these processes are assigned with the 3-10% accuracy. Energy losses for atom ionization and excitation and bremsstrahlung, as well as multiple scattering are taken into account for charged particles. The program is used to calculate electron conversion into positrons, to estimate accelerator radiation background, to simulate electromagnetic showers in electromagntic calorimeters. 37 refs.; 15 figs

  6. Interplay between bulk medium evolution and (D)GLV energy loss

    International Nuclear Information System (INIS)

    Molnar, Denes; Sun, Deke

    2014-01-01

    We study the consistency between high-p T nuclear suppression (R AA ) and elliptic flow (v 2 ) using Gyulassy–Levai–Vitev (GLV) energy loss or a simpler power-law dE/dL formula, for a variety of bulk evolution models. The results generally confirm our earlier work [1] that found suppressed elliptic flow for transversely expanding media. One exception is the set of hydrodynamic solutions used recently [2] by Betz and Gyulassy, which give significantly higher v 2 but unfortunately assume unrealistic bag-model equation of state. On the other hand, we show that covariant treatment of energy loss introduces an interplay between jet direction and hydrodynamic flow of the medium, which largely counteracts elliptic flow suppression caused by transverse expansion

  7. A theoretical and practical clarification on the calculation of reflection loss for microwave absorbing materials

    Science.gov (United States)

    Liu, Ying; Zhao, Kun; Drew, Michael G. B.; Liu, Yue

    2018-01-01

    Reflection loss is usually calculated and reported as a function of the thickness of microwave absorption material. However, misleading results are often obtained since the principles imbedded in the popular methods contradict the fundamental facts that electromagnetic waves cannot be reflected in a uniform material except when there is an interface and that there are important differences between the concepts of characteristic impedance and input impedance. In this paper, these inconsistencies have been analyzed theoretically and corrections provided. The problems with the calculations indicate a gap between the background knowledge of material scientists and microwave engineers and for that reason a concise review of transmission line theory is provided along with the mathematical background needed for a deeper understanding of the theory of reflection loss. The expressions of gradient, divergence, Laplacian, and curl operators in a general orthogonal coordinate system have been presented including the concept of reciprocal vectors. Gauss's and Stokes's theorems have been related to Green's theorem in a novel way.

  8. Calculation of embodied energy in Sino-USA trade: 1997–2011

    International Nuclear Information System (INIS)

    Yang, Ranran; Long, Ruyin; Yue, Ting; Shi, Haihong

    2014-01-01

    In order to find efficient trade measures to reduce China's energy consumption and to provide theoretical support for the climate talks between China and America, we investigate the impact of Sino-USA trade on energy consumption from the perspective of embodied energy. An Environmental Input–Output Life Cycle Assessment (EIO-LCA) model was established to calculate the total energy consumption coefficient, the direct consumption coefficient and the complete consumption coefficient of the sectors of the national economies of China and America. After taking into consideration the data of every sector of the national economy in Sino-USA trade, energy embodied in the import and export trade between China and America was calculated to verify the real energy flows in Sino-USA trade. The research results suggest the following: China is the net exporter of embodied energy in Sino-USA trade, and coal, crude oil and natural gas are the major components. In 1997–2011, the net exports of China's embodied energy totaled 1523,082,200 t of standard coal, the amount of China's energy consumption increased by 895,527,900 t of standard coal, and America's energy consumption decreased by 11,871,200 t of standard coal as a result of Sino-USA trade. On this basis, corresponding policies and recommendations are proposed. - Highlights: • An EIO-LCA model is established to examine China's embodied energy in Sino-USA trade. • Embodied energy is calculated from the perspective of energy sources. • China is found to be the net exporter of embodied energy in Sino-USA trade. • Coal, crude oil and natural gas are the major components of China's net embodied energy exports. • China's energy consumption has increased and America's has shifted to China in Sino-USA trade

  9. Shielding calculation for treatment rooms of high energy linear accelerator

    International Nuclear Information System (INIS)

    Elleithy, M.A.

    2006-01-01

    A review of German Institute of Standardization (DIN) scheme of the shielding calculation and the essential data required has been done for X-rays and electron beam in the energy range from 1 MeV to 50 MeV. Shielding calculation was done for primary and secondary radiations generated during X-ray operation of Linac. In addition, shielding was done against X-rays generated (Bremsstrahlung) by useful electron beams. The calculations also covered the neutrons generated from the interactions of useful X-rays (at energies above 8 MeV) with the surrounding. The present application involved the computation of shielding against the double scattered components of X-rays and neutrons in the maze area and the thickness of the paraffin wax of the room door. A new developed computer program was designed to assist shielding thickness calculations for a new Linac installation or in replacing an existing machine. The program used a combination of published tables and figures in computing the shielding thickness at different locations for all possible radiation situations. The DIN published data of 40 MeV accelerator room was compared with the program calculations. It was found that there is good agreement between both calculations. The developed program improved the accuracy and speed of calculation

  10. Impact of stand-by energy losses in electronic devices on smart network performance

    Directory of Open Access Journals (Sweden)

    Mandić-Lukić Jasmina S.

    2012-01-01

    Full Text Available Limited energy resources and environmental concerns due to ever increasing energy consumption, more and more emphasis is being put on energy savings. Smart networks are promoted worldwide as a powerful tool used to improve the energy efficiency through consumption management, as well as to enable the distributed power generation, primarily based on renewable energy sources, to be optimally explored. To make it possible for the smart networks to function, a large number of electronic devices is needed to operate or to be in their stand-by mode. The consumption of these devices is added to the consumption of many other electronic devices already in use in households and offices, thus giving rise to the overall power consumption and threatening to counteract the primary function of smart networks. This paper addresses the consumption of particular electronic devices, with an emphasis placed on their thermal losses when in stand-by mode and their total share in the overall power consumption in certain countries. The thermal losses of electronic devices in their stand-by mode are usually neglected, but it seems theoretically possible that a massive increase in their number can impact net performance of the future smart networks considerably so that above an optimum level of energy savings achieved by their penetration, total consumption begins to increase. Based on the current stand-by energy losses from the existing electronic devices, we propose that the future penetration of smart networks be optimized taking also into account losses from their own electronic devices, required to operate in stand-by mode.

  11. Application of Indenting Method for Calculation of Activation Energy

    International Nuclear Information System (INIS)

    Kim, Jong-Seog; Kim, Tae-Ryong

    2006-01-01

    For the calculation of activation energy of cable materials, we used to apply the break-elongation test in accordance with ASTM D412(Stand Test Methods for Rubber Properties in Tension). For the cable jacket and insulation which have regular thickness, break-elongation test had been preferred since it showed linear character in the activation energy curve. But, for the cable which has irregular thickness or rugged surface of cable inside, break-elongation test show scattered data which can not be used for the calculation of activation energy. It is not easy to prepare break-elongation specimen for the cable smaller than 13mm diameter in accordance with ASTM D412. In the cases of above, we sometime use TGA method which heat the specimen from 50 .deg. C to 700 .deg. C at heating rates of 10, 15, 20 .deg. C/min. But, TGA is suspected for the representative of natural aging in the plant since it measure the weight decreasing rate during burning which may have different aging mechanism with that of natural aging. To solve above problems, we investigated alternatives such as indenter test. Indenter test is very convenient since it does not ask for a special test specimen as the break-elongation test does. Regular surface of cable outside is the only requirement of indenter test. Experience of activation energy calculation by using the indenter test is described herein

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

    Science.gov (United States)

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

    2018-06-01

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

  13. Angular dispersion and energy loss of H+ and He+ in metals

    International Nuclear Information System (INIS)

    Cantero, Esteban

    2006-01-01

    In this master thesis the effects produced when a light ion beam traverses a thin metallic film were studied.In particular, the interactions of low energy (E ≤ 10 keV) light ions (H + ,H 2 + , D + , He + ) with monocrystalline and also polycrystalline gold samples were investigated.In first place, the dependence of the stopping power with projectiles' velocity was studied, analyzing the threshold effect in the excitation of the 5d electrons in the channelling regime for energies between 0,4 and 9 keV.Next, the angular dispersion of ions in polycrystalline and monocrystalline films was measured and analyzed.Comparisons for different energies and projectiles were done, studying molecular and isotopic effects.Using Lindhard's channeling theory, a scale law for the angular dispersion of angles greater than the critical angle was found.Additionally, the angular dependence of the energy loss and the energy loss straggling of protons transmitted through monocrystals were measured.To explain the angular variations of these magnitudes a theoretical model based on the electronic density fluctuations inside the channel was developed [es

  14. High Q diamond hemispherical resonators: fabrication and energy loss mechanisms

    International Nuclear Information System (INIS)

    Bernstein, Jonathan J; Bancu, Mirela G; Bauer, Joseph M; Cook, Eugene H; Kumar, Parshant; Nyinjee, Tenzin; Perlin, Gayatri E; Ricker, Joseph A; Teynor, William A; Weinberg, Marc S; Newton, Eric

    2015-01-01

    We have fabricated polycrystalline diamond hemispheres by hot-filament CVD (HFCVD) in spherical cavities wet-etched into a high temperature glass substrate CTE matched to silicon. Hemispherical resonators 1.4 mm in diameter have a Q of up to 143 000 in the fundamental wineglass mode, for a ringdown time of 2.4 s. Without trimming, resonators have the two degenerate wineglass modes frequency matched as close as 2 Hz, or 0.013% of the resonant frequency (∼16 kHz). Laser trimming was used to match resonant modes on hemispheres to 0.3 Hz. Experimental and FEA energy loss studies on cantilevers and hemispheres examine various energy loss mechanisms, showing that surface related losses are dominant. Diamond cantilevers with a Q of 400 000 and a ringdown time of 15.4 s were measured, showing the potential of polycrystalline diamond films for high Q resonators. These resonators show great promise for use as hemispherical resonant gyroscopes (HRGs) on a chip. (paper)

  15. Elastic energy loss and longitudinal straggling of a hard jet

    International Nuclear Information System (INIS)

    Majumder, A.

    2009-01-01

    The elastic energy loss encountered by jets produced in deep-inelastic scattering (DIS) off a large nucleus is studied in the collinear limit. In close analogy to the case of (nonradiative) transverse momentum broadening, which is dependent on the medium transport coefficient q, a class of medium enhanced higher twist operators which contribute to the nonradiative loss of the forward light-cone momentum of the jet (q - ) are identified and the leading correction in the limit of asymptotically high q - is isolated. Based on these operator products, a new transport coefficient e is motivated which quantifies the energy loss per unit length encountered by the hard jet. These operator products are then computed, explicitly, in the case of a similar hard jet traversing a deconfined quark-gluon plasma (QGP) in the hard-thermal-loop (HTL) approximation. This is followed by an evaluation of subleading contributions which are suppressed by the inverse light-cone momentum q - , which yields the longitudinal 'straggling', i.e., a slight change in light cone momentum due to the Brownian propagation through a medium with a fluctuating color field.

  16. Calculating transport AC losses in stacks of high temperature superconductor coated conductors with magnetic substrates using FEM

    International Nuclear Information System (INIS)

    Ainslie, Mark D.; Flack, Tim J.; Campbell, Archie M.

    2012-01-01

    Properties of stacks of HTS coated conductors with and without a magnetic substrate. Non-magnetic substrate model is consistent with existing methods. Presence of a magnetic substrate increases the total AC loss of the stack. Differences and similarities between certain tapes within stacks are explained. Ferromagnetic loss of substrate negligible in most cases except small currents/fields. In this paper, the authors investigate the electromagnetic properties of stacks of high temperature superconductor (HTS) coated conductors with a particular focus on calculating the total transport AC loss. The cross-section of superconducting cables and coils is often modeled as a two-dimensional stack of coated conductors, and these stacks can be used to estimate the AC loss of a practical device. This paper uses a symmetric two dimensional (2D) finite element model based on the H formulation, and a detailed investigation into the effects of a magnetic substrate on the transport AC loss of a stack is presented. The number of coated conductors in each stack is varied from 1 to 150, and three types of substrate are compared: non-magnetic weakly magnetic and strongly magnetic. The non-magnetic substrate model is comparable with results from existing models for the limiting cases of a single tape (Norris) and an infinite stack (Clem). The presence of a magnetic substrate increases the total AC loss of the stack, due to an increased localized magnetic flux density, and the stronger the magnetic material, the further the flux penetrates into the stack overall. The AC loss is calculated for certain tapes within the stack, and the differences and similarities between the losses throughout the stack are explained using the magnetic flux penetration and current density distributions in those tapes. The ferromagnetic loss of the substrate itself is found to be negligible in most cases, except for small magnitudes of current. Applying these findings to practical applications, where AC

  17. Efficiency of free-energy calculations of spin lattices by spectral quantum algorithms

    International Nuclear Information System (INIS)

    Master, Cyrus P.; Yamaguchi, Fumiko; Yamamoto, Yoshihisa

    2003-01-01

    Ensemble quantum algorithms are well suited to calculate estimates of the energy spectra for spin-lattice systems. Based on the phase estimation algorithm, these algorithms efficiently estimate discrete Fourier coefficients of the density of states. Their efficiency in calculating the free energy per spin of general spin lattices to bounded error is examined. We find that the number of Fourier components required to bound the error in the free energy due to the broadening of the density of states scales polynomially with the number of spins in the lattice. However, the precision with which the Fourier components must be calculated is found to be an exponential function of the system size

  18. Calculation and Measurement of Low-Energy Radiative Moller Scattering

    Science.gov (United States)

    Epstein, Charles; DarkLight Collaboration

    2017-09-01

    A number of current nuclear physics experiments have come to rely on precise knowledge of electron-electron (Moller) and positron-electron (Bhabha) scattering. Some of these experiments, having lepton beams on targets containing atomic electrons, use these purely-QED processes as normalization. In other scenarios, with electron beams at low energy and very high intensity, Moller scattering and radiative Moller scattering have such enormous cross-sections that the backgrounds they produce must be understood. In this low-energy regime, the electron mass is also not negligible in the calculation of the cross section. This is important, for example, in the DarkLight experiment (100 MeV). As a result, we have developed a new event generator for the radiative Moller and Bhabha processes, with new calculations that keep all terms of the electron mass. The MIT High Voltage Research Laboratory provides us a unique opportunity to study this process experimentally and compare it with our work, at a low beam energy of 2.5 MeV where the effects of the electron mass are significant. We are preparing a dedicated apparatus consisting of a magnetic spectrometer in order to directly measure this process. An overview of the calculation and the status of the experiment will be presented.

  19. Stored energy calculation: the state of the art

    International Nuclear Information System (INIS)

    Cunningham, M.E.; Lanning, D.D.; Olsen, A.R.; Williford, R.E.; Hann, C.R.

    1978-05-01

    The report is the result of an investigation to determine the current state of the art of fuel temperature, gap conductance, and stored energy calculations. Major emphasis was placed on the propagation of input and model uncertainties. To support this study a comparison was made to the observed variability of experimental data for fuel centerline temperature and gap conductance values. The uncertainty analysis was performed by identifying major thermal models and collecting them into an abstract of a thermal performance code. Uncertainties in the calculations were determined using the method of propagation of uncertainties with a first order Taylor series approximation to the nonlinear functions. Output uncertainty results are presented for the beginning of fuel life, the end of life, and throughout a typical power history. Also presented is an influence and importance analysis for the input parameters. It is concluded that the relative uncertainty in stored energy is approximately +-20 percent at beginning of fuel life, and increases to +-25 to 40 percent contact. The foregoing are 3 sigma (99.9 percent) confidence intervals. The most important contributors to stored energy uncertainty are linear heat rating and fuel thermal conductivity

  20. Electron energy-loss spectrometry at the frontier of spatial and energy resolution

    International Nuclear Information System (INIS)

    Hofer, F.; Grogger, W.; Kothleitner, G.

    2004-01-01

    Full text: Electron energy-loss spectroscopy (EELS) in the transmission electron microscope (TEM) is now used routinely as a means of measuring chemical and structural properties of very small regions of a thin specimen. The power of this technique depends significantly on two parameters: its spatial resolution and the energy resolution available in the spectrum and in the energy-filtered TEM (EFTEM) image. The cold field emission source and the Schottky emitter have made an energy resolution below 1 eV possible and it is now feasible to obtain data with a spatial resolution close to atomic dimensions, given the right instrumentation and specimen. EFTEM allows to record elemental maps at sub-nanometre resolution, being mainly limited by chromatic and spherical aberration of the objective lens and by delocalization of inelastic scattering. Recently the possibility of correcting spherical and even chromatic aberrations of electron lenses has become a practical reality thus improving the point resolution of the TEM to below 0.1 nm. The other limiting factor for EFTEM resolution is delocalization. However, recent measurements show that resolution values in the range of 1 nm and below can be achieved, even for energy-losses of only a few eV. In terms of energy-resolution, EELS and EFTEM compare less favourably with other spectroscopies. For common TEMs, the overall energy-resolution is mainly determined by the energy width of the electron source, typically between 0.5 and 1.5 eV. For comparison, synchrotron x-ray sources and beam line spectrometers, provide a resolution well below 0.1 eV for absorption spectroscopy. During the early sixties, the energy spread of an electron beam could be reduced by incorporating an energy-filter into the illumination system, but the system lacked spatial resolution. Later developments combined high energy resolution in the range of 0.1 eV with improved spatial resolution. Recently, FEI introduced a new high resolution EELS system based

  1. Energy losses in mixed matrix superconducting wires under fast pulsed conditions

    International Nuclear Information System (INIS)

    Wollan, J.J.

    1976-01-01

    Energy losses have been measured on a set of mixed matrix (CuNi, Cu, NbTi) superconducting wires at B's up to 1.5 x 10 7 G/s. The losses have been measured as a function of wire diameter, twist pitch, maximum applied field, and B. Both static and dynamic losses were measured for a field applied perpendicularly to the wire axis. The dynamic losses were measured by slowly applying an external field to a sample and then causing the field to decay exponentially in roughly 1 ms to 10 ms. Under low B (9 kG) and B (10 6 G/s) conditions the hysteretic loss dominated. At high B (21 kG) and B (1.5 x 10 7 G/s) the matrix losses became dominant. The systematic variation of the losses with the mentioned parameters will be presented and will be compared to theoretical predictions

  2. Dynamical energy loss as a novel Quark–Gluon Plasma tomographic tool

    Energy Technology Data Exchange (ETDEWEB)

    Djordjevic, Magdalena

    2016-12-15

    High momentum suppression of light and heavy flavor observables is considered to be an excellent probe of jet-medium interactions in QCD matter created at RHIC and LHC. Utilizing this tool requires accurate suppression predictions for different experiments, probes and experimental conditions, and their unbiased comparison with experimental data. With this goal, we developed the dynamical energy loss formalism towards generating predictions for non-central collisions; the formalism takes into account both radiative and collisional energy loss computed within the same theoretical framework, dynamical (as opposed to static) scattering centers, finite magnetic mass, running coupling and uses no free parameters in comparison with experimental data. Within this formalism, we provided predictions, and a systematic comparison with experimental data, for a diverse set of suppression data: all available light and heavy flavor probes, lower and high momentum ranges, various centrality ranges and various collision energies at RHIC and LHC. We here also provide clear qualitative and quantitative predictions for soon to become available LHC experimental data. Comprehensive agreement between our predictions and experimental results provides a good deal of confidence that our dynamical energy loss formalism can well explain the jet-medium interactions in QGP, which will be further tested by the obtained predictions for the upcoming data. Application of this model, as a novel high-precision tomographic tool of QGP medium, are also discussed.

  3. Understanding Energy Loss in Organic Solar Cells: Toward a New Efficiency Regime

    KAUST Repository

    Menke, S. Matthew; Ran, Niva A.; Bazan, Guillermo C.; Friend, Richard H.

    2017-01-01

    Reducing energy and voltage loss is an imperative area of improvement for the design of organic solar cells (OSCs). Both in the context of charge generation and charge recombination, significant amounts of energy are lost even in state-of-the-art OSCs compared with their inorganic counterparts. Through a set of recent examples, however, we show that (1) charge generation can proceed with high quantum efficiency even in the absence of an offset energy at the donor-acceptor interface and (2) non-radiative charge recombination may be mitigated by considering systems with distinct properties of the interfacial charge-transfer state. To capitalize on these recent advances in understanding, we provide three actionable paths forward that aim to better identify, process, and characterize low energy loss systems: incorporating consistent and accurate measurements for energy levels, moving away from photoluminescence quenching, and exploring blends with reduced miscibility.

  4. Understanding Energy Loss in Organic Solar Cells: Toward a New Efficiency Regime

    KAUST Repository

    Menke, S. Matthew

    2017-10-19

    Reducing energy and voltage loss is an imperative area of improvement for the design of organic solar cells (OSCs). Both in the context of charge generation and charge recombination, significant amounts of energy are lost even in state-of-the-art OSCs compared with their inorganic counterparts. Through a set of recent examples, however, we show that (1) charge generation can proceed with high quantum efficiency even in the absence of an offset energy at the donor-acceptor interface and (2) non-radiative charge recombination may be mitigated by considering systems with distinct properties of the interfacial charge-transfer state. To capitalize on these recent advances in understanding, we provide three actionable paths forward that aim to better identify, process, and characterize low energy loss systems: incorporating consistent and accurate measurements for energy levels, moving away from photoluminescence quenching, and exploring blends with reduced miscibility.

  5. Verification of the DUCT-III for calculation of high energy neutron streaming

    Energy Technology Data Exchange (ETDEWEB)

    Masukawa, Fumihiro; Nakano, Hideo; Nakashima, Hiroshi; Sasamoto, Nobuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Tayama, Ryu-ichi; Handa, Hiroyuki; Hayashi, Katsumi [Hitachi Engineering Co., Ltd., Hitachi, Ibaraki (Japan); Hirayama, Hideo [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan); Shin, Kazuo [Kyoto Univ., Kyoto (Japan)

    2003-03-01

    A large number of radiation streaming calculations under a variety of conditions are required as a part of shielding design for a high energy proton accelerator facility. Since sophisticated methods are very time consuming, simplified methods are employed in many cases. For accuracy evaluation of a simplified code DUCT-III for high energy neutron streaming calculations, two kinds of benchmark problems based on the experiments were analyzed. Through comparison of the DUCT-III calculations with both the measurements and the sophisticated Monte Carlo calculations, DUCT-III was seen reliable enough for applying to the shielding design for the Intense Proton Accelerator Facility. (author)

  6. Verification of the DUCT-III for calculation of high energy neutron streaming

    CERN Document Server

    Masukawa, F; Hayashi, K; Hirayama, H; Nakano, H; Nakashima, H; Sasamoto, N; Shin, K; Tayama, R I

    2003-01-01

    A large number of radiation streaming calculations under a variety of conditions are required as a part of shielding design for a high energy proton accelerator facility. Since sophisticated methods are very time consuming, simplified methods are employed in many cases. For accuracy evaluation of a simplified code DUCT-III for high energy neutron streaming calculations, two kinds of benchmark problems based on the experiments were analyzed. Through comparison of the DUCT-III calculations with both the measurements and the sophisticated Monte Carlo calculations, DUCT-III was seen reliable enough for applying to the shielding design for the Intense Proton Accelerator Facility.

  7. The calculations of small molecular conformation energy differences by density functional method

    Science.gov (United States)

    Topol, I. A.; Burt, S. K.

    1993-03-01

    The differences in the conformational energies for the gauche (G) and trans(T) conformers of 1,2-difluoroethane and for myo-and scyllo-conformer of inositol have been calculated by local density functional method (LDF approximation) with geometry optimization using different sets of calculation parameters. It is shown that in the contrast to Hartree—Fock methods, density functional calculations reproduce the correct sign and value of the gauche effect for 1,2-difluoroethane and energy difference for both conformers of inositol. The results of normal vibrational analysis for1,2-difluoroethane showed that harmonic frequencies calculated in LDF approximation agree with experimental data with the accuracy typical for scaled large basis set Hartree—Fock calculations.

  8. Evaluation of the energy component in the main grid tariff and the use of marginal loss rates; Evaluering av energileddet i sentralnettstariffen og bruk av marginaltapssatser

    Energy Technology Data Exchange (ETDEWEB)

    Bjoerndal, Endre; Bjoerndal, Mette

    2010-11-15

    In this report, we make an evaluation of the energy component of the central grid tariff and the use of marginal loss rates. We will first review the theory of optimum transmission tariffs and describes how the marginal loss rates are calculated and how these are used in combination with the system price in the current transmission costs. We describe the trend in the Swedish marginal loss schedule, and we refer the very short development in the PJM area (U.S. east coast). As the Swedish and the Norwegian system is apparently based on the same principles, we problematize the lack of harmonization, since the systems actually are now very different. There is little doubt that Statnett has refined and improved methods for calculating the marginal loss rates, while ensuring that bottlenecks are still handled fairly easy by a few large price areas on Nord Pool Spot. We discuss the relationship between loss-tariff and congestion management, and we recommend that Statnett considering using the area price as the settlement price. This will make it much easier for operators to take account of losses. (Author)

  9. Fast ion loss and radial electric field in high-aspect-ratio stellarator

    International Nuclear Information System (INIS)

    Itoh, Kimitaka; Sanuki, Heiji; Itoh, Sanae

    1992-01-01

    Theoretical model is developed to determine the radial electric field and the fast ion loss simultaneously in stellarators, and is applied to the Wendelstein VII-A stellarator. The predicted value of the radial electric field is more close to experiments than the purely neoclassical calculation. The loss rate, which is determined simultaneously, is in the range of experimental observations. The partition of the injection energy by the bulk heating, direct orbit loss and shine through is estimated by using the selfconsistent electric field profile. The orbit loss becomes noticeable as the injection energy increases. The influence of the neutral particles is also studied. Neutral particles enhance the negative radial electric field, and reduce the direct orbit loss by the expense of the charge exchange loss. The impact of the increased radial electric field on the neoclassical ion thermal energy loss is compared to the direct loss of fast ions. The reduction of the neoclassical loss is much smaller than the orbit loss. (author)

  10. Fast ion loss and radial electric field in Wendelstein VII-Λ stellarator

    International Nuclear Information System (INIS)

    Itoh, K.; Sanuki, H.; Itoh, S.

    1991-10-01

    Theoretical model is developed to determine the radial electric field and the fast ion loss simultaneously in stellarators, and is applied to the Wendelstein VII-A stellarator. The predicted value of the radial electric field is more closer to experiments than the purely neoclassical calculation. The loss rate, which is determined simultaneously, is in the range of experimental observations. The partition of the injection energy by the bulk heating, direct orbit loss and shine through is estimated by using the self consistent electric field profile. The orbit loss become noticeable as the injection energy increases. The influence of the neutral particles is also studied. Neutral particles enhances the negative radial electric field, and reduces the direct orbit loss by the expense of the charge exchange loss. The impact of the increased radial electric field on the neoclassical ion thermal energy loss is compared to the direct loss of fast ions. The reduction of the neoclassical loss is much smaller than the orbit loss. (author)

  11. An efficient approach to characterizing and calculating carrier loss due to heating and barrier height variation in vertical-cavity surface-emitting lasers

    International Nuclear Information System (INIS)

    Jian, Wu; Summers, H. D.

    2010-01-01

    It is important to determine quantitatively the internal carrier loss arising from heating and barrier height variation in a vertical-cavity surface-emitting quantum well laser (VCSEL). However, it is generally difficult to realize this goal using purely theoretical formulas due to difficulty in deriving the parameters relating to the quantum well structure. In this paper, we describe an efficient approach to characterizing and calculating the carrier loss due to the heating and the barrier height change in the VCSEL. In the method, the thermal carrier loss mechanism is combined with gain measurement and calculation. The carrier loss is re-characterized in a calculable form by constructing the threshold current and gain detuning-related loss current using the measured gain data and then substituting them for the quantum well-related parameters in the formula. The result can be expressed as a product of an exponential weight factor linked to the barrier height change and the difference between the threshold current and gain detuning-related loss current. The gain variation at cavity frequency due to thermal carrier loss and gain detuning processes is measured by using an AlInGaAs–AlGaAs VCSEL structure. This work provides a useful approach to analysing threshold and loss properties of the VCSEL, particularly, gain offset design for high temperature operation of VCSELs. (classical areas of phenomenology)

  12. Improved initial guess for minimum energy path calculations

    International Nuclear Information System (INIS)

    Smidstrup, Søren; Pedersen, Andreas; Stokbro, Kurt; Jónsson, Hannes

    2014-01-01

    A method is presented for generating a good initial guess of a transition path between given initial and final states of a system without evaluation of the energy. An objective function surface is constructed using an interpolation of pairwise distances at each discretization point along the path and the nudged elastic band method then used to find an optimal path on this image dependent pair potential (IDPP) surface. This provides an initial path for the more computationally intensive calculations of a minimum energy path on an energy surface obtained, for example, by ab initio or density functional theory. The optimal path on the IDPP surface is significantly closer to a minimum energy path than a linear interpolation of the Cartesian coordinates and, therefore, reduces the number of iterations needed to reach convergence and averts divergence in the electronic structure calculations when atoms are brought too close to each other in the initial path. The method is illustrated with three examples: (1) rotation of a methyl group in an ethane molecule, (2) an exchange of atoms in an island on a crystal surface, and (3) an exchange of two Si-atoms in amorphous silicon. In all three cases, the computational effort in finding the minimum energy path with DFT was reduced by a factor ranging from 50% to an order of magnitude by using an IDPP path as the initial path. The time required for parallel computations was reduced even more because of load imbalance when linear interpolation of Cartesian coordinates was used

  13. Comparison between calculation and measurement of energy deposited by 800 MeV protons

    International Nuclear Information System (INIS)

    Loewe, W.E.

    1980-01-01

    The High Energy Transport Code, HETC, was obtained from the Radiation Shielding Information Center (RSIC) at Oak Ridge National Laboratory and altered as necessary to run on a CDC 7600 using the LTSS software in use at LLNL. HETC was then used to obtain calculated estimates of energy deposited, for comparison with a series of benchmark experiments done by LLNL. These experiments used proton beams of various energies incident on well-defined composite targets in good geometry. In this report, two aspects of the comparison between calculated and experimental energy depositions from an 800 MeV proton beam are discussed. Both aspects involve the fact that workers at SAI had previously used their version of HETC to calculate this experiment and reported their comparison with the measured data. The first aspect addressed is that their calculated data and LLNL calculations do not agree, suggesting an error in the conversion process from the RSIC code. The second aspect is not independent of the first, but is of sufficient importance to merit separate emphasis. It is that the SAI calculations agree well with experiments at the detector plate located some distance from the shower plate, whereas the LLNL calculations show a clearcut discrepancy there in comparison with the experiment. A contract was let in January 1980 by LLNL with SAI in order to obtain full details on the two cited aspects of the comparison between calculated and experimental energy depositions from an 800 MeV proton beam. The ensuing discussion is based on the final report of that contracted work

  14. First-Principles Calculations of Electronic, Optical, and Transport Properties of Materials for Energy Applications

    Science.gov (United States)

    Shi, Guangsha

    Solar electricity is a reliable and environmentally friendly method of sustainable energy production and a realistic alternative to conventional fossil fuels. Moreover, thermoelectric energy conversion is a promising technology for solid-state refrigeration and efficient waste-heat recovery. Predicting and optimizing new photovoltaic and thermoelectric materials composed of Earth-abundant elements that exceed the current state of the art, and understanding how nanoscale structuring and ordering improves their energy conversion efficiency pose a challenge for materials scientists. I approach this challenge by developing and applying predictive high-performance computing methods to guide research and development of new materials for energy-conversion applications. Advances in computer-simulation algorithms and high-performance computing resources promise to speed up the development of new compounds with desirable properties and significantly shorten the time delay between the discovery of new materials and their commercial deployment. I present my calculated results on the extraordinary properties of nanostructured semiconductor materials, including strong visible-light absorbance in nanoporous silicon and few-layer SnSe and GeSe. These findings highlight the capability of nanoscale structuring and ordering to improve the performance of Earth-abundant materials compared to their bulk counterparts for solar-cell applications. I also successfully identified the dominant mechanisms contributing to free-carrier absorption in n-type silicon. My findings help evaluate the impact of the energy loss from this absorption mechanism in doped silicon and are thus important for the design of silicon solar cells. In addition, I calculated the thermoelectric transport properties of p-type SnSe, a bulk material with a record thermoelectric figure of merit. I predicted the optimal temperatures and free-carrier concentrations for thermoelectric energy conversion, as well the

  15. Monte Carlo calculations for intermediate-energy standard neutron field

    International Nuclear Information System (INIS)

    Joneja, O.P.; Subbukutty, K.; Iyengar, S.B.D.; Navalkar, M.P.

    Intermediate-Energy Standard Neutron Field (ISNF) which produces a well characterised spectrum in the energy range of interest for fast reactors including breeders, has been set up at NBS using thin enriched 235 U fission sources. A proposal has been made for setting up a similar facility at BARC using however, easily available natural U instead of enriched U sources, to start with. In order to simulate the neutronics of such a facility Monte Carlo method of calculations has been adopted and developed. The results of these calculations have been compared with those of NBS and it is found that there may be a maximum difference of 10% in spectrum characteristics for the two cases of using thick and thin fission sources. (K.B.)

  16. Energy loss of /sup 14/N ions in Ni, Ag, and Cu and the lifetimes of the states at 2.3 and 3.9 MeV in /sup 14/N

    International Nuclear Information System (INIS)

    Zielinski, M.; Baek, W.Y.; Bharuth-Ram, K.; Gassen, D.; Neuwirth, W.

    1987-01-01

    The energy loss of /sup 14/N ions in Ni, Ag, and Cu has been investigated via the inverted Doppler-shift attenuation technique in the energy range up to 3.1 MeV. Excited /sup 14/N nuclei were produced in the reaction /sup 12/C( 3 He,p) /sup 14/N/sup */, and energy-loss information was obtained from the analysis of the Doppler-broadened 2.313-MeV γ-ray line, observed with a Ge(Li) detector. This analysis also yielded the lifetimes of the levels at 2.3 and 3.9 MeV in /sup 14/N, which were determined to be 97.7 +- 5.5 and 5.6 +- 1.1 fs, respectively, in reasonable agreement with previous measurements and theoretical calculations. The stopping cross sections obtained for all three stopping media are compared with existing theoretical calculations, especially with regard to the oscillations with the atomic number of the stopping medium

  17. Calculation of the Coulomb nuclear energy for the 1fsub(7/2) shell

    International Nuclear Information System (INIS)

    Kaminski, V.A.; Shpikovski, S.

    1980-01-01

    Calculated was the Coulomb energy for nuclei with half-filled 1fsub(7/2) shell i.e. for configurations, where quasiparticle basis can serve as a total basis for precise calculations. Presented are calculation results of vector and tensor components of the Coulomb energy for Ca-Se-Ti-V isobaric pairs, as well as experimental and theoretical values for the Coulomb displacements. To estimate the Coulomb energies used were wave functions of a Hamiltonian taking account of pair and quadrupole interactions. There is good agreement with experimental data. Quasiparticle consideration is useful for calculating matrix elements of half-filled shells and for the cases of such an isospin value, where the technique of genealogical coefficients becomes extremely cumbersome

  18. Effects of diet composition on postprandial energy availability during weight loss maintenance.

    Directory of Open Access Journals (Sweden)

    Carolyn O Walsh

    Full Text Available The major circulating metabolic fuels regulate hunger, and each is affected by dietary composition. An integrated measure of postprandial energy availability from circulating metabolic fuels may help inform dietary recommendations for weight maintenance after weight loss.We examined the effect of low-fat (LF, 60% of energy from carbohydrate, 20% fat, 20% protein, low-glycemic index (LGI, 40%-40%-20%, and very low-carbohydrate (VLC, 10%-60%-30% diets on total postprandial metabolic fuel energy availability (EA during weight loss maintenance.Eight obese young adults were fed a standard hypocaloric diet to produce 10-15% weight loss. They were then provided isocaloric LF, LGI, and VLC diets in a randomized crossover design, each for a 4-week period of weight loss maintenance. At the end of each dietary period, a test meal representing the respective diet was provided, and blood samples were obtained every 30 minutes for 5 hours. The primary outcome was EA, defined as the combined energy density (circulating level × relative energy content of glucose, free fatty acids, and β-hydroxybutyrate. Secondary outcomes were individual metabolic fuels, metabolic rate, insulin, glucagon, cortisol, epinephrine, and hunger ratings. Respiratory quotient was a process measure. Data were analyzed by repeated-measures analysis of variance, with outcomes compared in the early (30 to 150 min and late (180 to 300 min postprandial periods.EA did not differ between the test meals during the early postprandial period (p = 0.99. However, EA in the late postprandial period was significantly lower after the LF test meal than the LGI (p<0.0001 and VLC (p<0.0001 test meals. Metabolic rate also differed in the late postprandial period (p = 0.0074, with higher values on the VLC than LF (p = 0.0064 and LGI (p = 0.0066 diets.These findings suggest that an LF diet may adversely affect postprandial EA and risk for weight regain during weight loss maintenance.

  19. Methodology to Calculate the Costs of a Floating Offshore Renewable Energy Farm

    Directory of Open Access Journals (Sweden)

    Laura Castro-Santos

    2016-04-01

    Full Text Available This paper establishes a general methodology to calculate the life-cycle cost of floating offshore renewable energy devices, applying it to wave energy and wind energy devices. It is accounts for the contributions of the six main phases of their life-cycle: concept definition, design and development, manufacturing, installation, exploitation and dismantling, the costs of which have been defined. Moreover, the energy produced is also taken into account to calculate the Levelized Cost of Energy of a floating offshore renewable energy farm. The methodology proposed has been applied to two renewable energy devices: a floating offshore wave energy device and a floating offshore wind energy device. Two locations have been considered: Aguçadoura and São Pedro de Moel, both in Portugal. Results indicate that the most important cost in terms of the life-cycle of a floating offshore renewable energy farm is the exploitation cost, followed by the manufacturing and the installation cost. In addition, the best area in terms of costs is the same independently of the type of floating offshore renewable energy considered: Aguçadoura. However, the results in terms of Levelized Cost of Energy are different: Aguçadoura is better when considering wave energy technology and the São Pedro de Moel region is the best option when considering floating wind energy technology. The method proposed aims to give a direct approach to calculate the main life-cycle cost of a floating offshore renewable energy farm. It helps to assess its feasibility and evaluating the relevant characteristics that influence it the most.

  20. Energy-loss of He ions in carbon allotropes studied by elastic resonance in backscattering spectra

    Energy Technology Data Exchange (ETDEWEB)

    Tosaki, Mitsuo, E-mail: tosaki.mitsuo.3v@kyoto-u.ac.jp [Radioisotope Research Center, Kyoto University, Kyoto 606-8501 (Japan); Rauhala, Eero [Department of Physics, University of Helsinki (Finland)

    2015-10-01

    Backscattering spectra for {sup 4}He ions incident on carbon allotropes have been measured in the energy range from 4.30 to 4.95 MeV in steps of 50–100 keV at scattering angles of 106° and 170°. We used three carbon allotropes: graphite, diamond and amorphous carbon. For all these allotropes, we can observe the sharp ({sup 4}He, {sup 12}C) elastic nuclear resonance at the He ion energy of 4.265 MeV in the backscattering spectra. By varying the incident He energy, we have systematically analyzed the profiles of the resonance peaks to study the energy-loss processes: stopping cross-sections and energy-loss straggling around the interesting region of the stopping maximum at about 500 keV. We focus on the resonance profiles and investigate an allotropic effect concerning the energy-loss. Furthermore, an energy bunching effect on the straggling is presented and the mechanism is discussed.

  1. High energy ion range and deposited energy calculation using the Boltzmann-Fokker-Planck splitting of the Boltzmann transport equation

    International Nuclear Information System (INIS)

    Mozolevski, I.E.

    2001-01-01

    We consider the splitting of the straight-ahead Boltzmann transport equation in the Boltzmann-Fokker-Planck equation, decomposing the differential cross-section into a singular part, corresponding to small energy transfer events, and in a regular one, which corresponds to large energy transfer. The convergence of implantation profile, nuclear and electronic energy depositions, calculated from the Boltzmann-Fokker-Planck equation, to the respective exact distributions, calculated from Monte-Carlo method, was exanimate in a large-energy interval for various values of splitting parameter and for different ion-target mass relations. It is shown that for the universal potential there exists an optimal value of splitting parameter, for which range and deposited energy distributions, calculated from the Boltzmann-Fokker-Planck equation, accurately approximate the exact distributions and which minimizes the computational expenses

  2. 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

  3. CMB bounds on dark matter annihilation: Nucleon energy losses after recombination

    NARCIS (Netherlands)

    Weniger, C.; Serpico, P.D.; Iocco, F.; Bertone, G.

    2013-01-01

    We consider the propagation and energy losses of protons and antiprotons produced by dark matter annihilation at redshifts 100energy injected into e± and γ’s,

  4. Relativistic deformed mean-field calculation of binding energy differences of mirror nuclei

    International Nuclear Information System (INIS)

    Koepf, W.; Barreiro, L.A.

    1996-01-01

    Binding energy differences of mirror nuclei for A=15, 17, 27, 29, 31, 33, 39 and 41 are calculated in the framework of relativistic deformed mean-field theory. The spatial components of the vector meson fields and the photon are fully taken into account in a self-consistent manner. The calculated binding energy differences are systematically smaller than the experimental values and lend support to the existence of the Okamoto-Nolen-Schiffer anomaly found decades ago in nonrelativistic calculations. For the majority of the nuclei studied, however, the results are such that the anomaly is significantly smaller than the one obtained within state-of-the-art nonrelativistic calculations. (author). 35 refs

  5. Peptide Free Energy Landscapes Calibrated by Molecular Orbital Calculations

    OpenAIRE

    Ono, S.; Kuroda, M.; Higo, J.; Kamiya, N.; Nakajima, N.; Nakamura, H.

    2002-01-01

    Free energy landscapes of peptide conformations werecalibrated by ab initiomolecular orbital calculations, after enhancedconformational sampling using the multicanonical molecular dynamicssimulations. Three different potentials of mean force for an isolateddipeptide were individually obtained using the conventional force fields,AMBER parm94, AMBER parm96, and CHARMm22. Each potential ofmean force was calibrated based on the umbrella sampling algorithm fromthe adiabatic energy map that was cal...

  6. AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations.

    Science.gov (United States)

    Ramadoss, Vijayaraj; Dehez, François; Chipot, Christophe

    2016-06-27

    Computation of the free-energy changes that underlie molecular recognition and association has gained significant importance due to its considerable potential in drug discovery. The massive increase of computational power in recent years substantiates the application of more accurate theoretical methods for the calculation of binding free energies. The impact of such advances is the application of parent approaches, like computational alanine scanning, to investigate in silico the effect of amino-acid replacement in protein-ligand and protein-protein complexes, or probe the thermostability of individual proteins. Because human effort represents a significant cost that precludes the routine use of this form of free-energy calculations, minimizing manual intervention constitutes a stringent prerequisite for any such systematic computation. With this objective in mind, we propose a new plug-in, referred to as AlaScan, developed within the popular visualization program VMD to automate the major steps in alanine-scanning calculations, employing free-energy perturbation as implemented in the widely used molecular dynamics code NAMD. The AlaScan plug-in can be utilized upstream, to prepare input files for selected alanine mutations. It can also be utilized downstream to perform the analysis of different alanine-scanning calculations and to report the free-energy estimates in a user-friendly graphical user interface, allowing favorable mutations to be identified at a glance. The plug-in also assists the end-user in assessing the reliability of the calculation through rapid visual inspection.

  7. Photoelectron energy-loss study of the Bi2CaSr2Cu2O8 superconductor

    International Nuclear Information System (INIS)

    Shen, Z.; Lindberg, P.A.P.; Dessau, D.S.; Lindau, I.; Spicer, W.E.; Mitzi, D.B.; Bozovic, I.; Kapitulnik, A.

    1989-01-01

    Using energy-loss spectroscopy of photoelectrons from a single crystal of Bi 2 CaSr 2 Cu 2 O 8 , we show that the electronic structure of the near-surface region is the same as that of the bulk. Utilizing the fact that photoelectrons of different elements are excited at different locations in the unit cell, we identify the energy-loss features as due to valence plasmon excitations, and one-electron excitations by comparing the photoelectron energy-loss spectra of the different elements

  8. A theoretical and practical clarification on the calculation of reflection loss for microwave absorbing materials

    Directory of Open Access Journals (Sweden)

    Ying Liu

    2018-01-01

    Full Text Available Reflection loss is usually calculated and reported as a function of the thickness of microwave absorption material. However, misleading results are often obtained since the principles imbedded in the popular methods contradict the fundamental facts that electromagnetic waves cannot be reflected in a uniform material except when there is an interface and that there are important differences between the concepts of characteristic impedance and input impedance. In this paper, these inconsistencies have been analyzed theoretically and corrections provided. The problems with the calculations indicate a gap between the background knowledge of material scientists and microwave engineers and for that reason a concise review of transmission line theory is provided along with the mathematical background needed for a deeper understanding of the theory of reflection loss. The expressions of gradient, divergence, Laplacian, and curl operators in a general orthogonal coordinate system have been presented including the concept of reciprocal vectors. Gauss’s and Stokes’s theorems have been related to Green’s theorem in a novel way.

  9. Multivariate statistical analysis of electron energy-loss spectroscopy in anisotropic materials

    International Nuclear Information System (INIS)

    Hu Xuerang; Sun Yuekui; Yuan Jun

    2008-01-01

    Recently, an expression has been developed to take into account the complex dependence of the fine structure in core-level electron energy-loss spectroscopy (EELS) in anisotropic materials on specimen orientation and spectral collection conditions [Y. Sun, J. Yuan, Phys. Rev. B 71 (2005) 125109]. One application of this expression is the development of a phenomenological theory of magic-angle electron energy-loss spectroscopy (MAEELS), which can be used to extract the isotropically averaged spectral information for materials with arbitrary anisotropy. Here we use this expression to extract not only the isotropically averaged spectral information, but also the anisotropic spectral components, without the restriction of MAEELS. The application is based on a multivariate statistical analysis of core-level EELS for anisotropic materials. To demonstrate the applicability of this approach, we have conducted a study on a set of carbon K-edge spectra of multi-wall carbon nanotube (MWCNT) acquired with energy-loss spectroscopic profiling (ELSP) technique and successfully extracted both the averaged and dichroic spectral components of the wrapped graphite-like sheets. Our result shows that this can be a practical alternative to MAEELS for the study of electronic structure of anisotropic materials, in particular for those nanostructures made of layered materials

  10. Extrapolation procedures for calculating high-temperature gibbs free energies of aqueous electrolytes

    International Nuclear Information System (INIS)

    Tremaine, P.R.

    1979-01-01

    Methods for calculating high-temprature Gibbs free energies of mononuclear cations and anions from room-temperature data are reviewed. Emphasis is given to species required for oxide solubility calculations relevant to mass transport situations in the nuclear industry. Free energies predicted by each method are compared to selected values calculated from recently reported solubility studies and other literature data. Values for monatomic ions estimated using the assumption anti C 0 p(T) = anti C 0 p(298) agree best with experiment to 423 K. From 423 K to 523 K, free energies from an electrostatic model for ion hydration are more accurate. Extrapolations for hydrolyzed species are limited by a lack of room-temperature entropy data and expressions for estimating these entropies are discussed. (orig.) [de

  11. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    International Nuclear Information System (INIS)

    Khvostenko, O.G.

    2014-01-01

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy

  12. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru

    2014-08-15

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy.

  13. Fecal energy losses in enterally fed intensive care patients: An explorative study using bomb calorimetry

    NARCIS (Netherlands)

    Strack van Schijndel, R.J.M.; Wierdsma, N.J.; van Heijningen, E.M.B.; Weijs, P.J.M.; de Groot, S.D.W.; Girbes, A.R.J.

    2006-01-01

    Background & Aims: Early enteral nutrition and tailored supply of nutrients have become standard in most of the intensive care units (ICU). So far little attention has been given to losses of energy in the stools. The purpose of this explorative study was to evaluate the energy losses of patients

  14. Limiting energy loss distributions for multiphoton channeling radiation

    International Nuclear Information System (INIS)

    Bondarenco, M.V.

    2015-01-01

    Recent results in the theory of multiphoton spectra for coherent radiation sources are overviewed, with the emphasis on channeling radiation. For the latter case, the importance of the order of resummation and averaging is emphasized. Limiting shapes of multiphoton spectra at high intensity are discussed for different channeling regimes. In some spectral regions, there emerges a correspondence between the radiative energy loss and the electron integrals of motion

  15. Calculation of CO2 emissions from the italian energy system

    International Nuclear Information System (INIS)

    Contaldi, M.; La Motta, S.

    2001-01-01

    The calculation of CO2 emissions from the Italian energy system is the object of this work. The inventory method used is the Reference Approach from the Intergovernmental Panel for Climate Change (IPCC, 1996 revised Guidelines for National Greenhouse Gas Inventories) and the energy consumption data are taken from the Italian Energy Balance edited by the Ministry of Industry. The years analysed are those from 1990 to 2000 [it

  16. Energy loss measurements of {sup 63}Cu, {sup 28}Si and {sup 27}Al heavy ions crossing thin Polyvinylchloride (PVC) foil

    Energy Technology Data Exchange (ETDEWEB)

    Dib, A.; Ammi, H. [Centre de Recherche Nucléaire d’Alger, 2 Bd. Frantz Fanon, B.P. 399, Alger-Gare, Algiers (Algeria); Guesmia, A., E-mail: guesmia@tlabs.ac.za [Departement de physique, Faculté des Sciences, Université Saad Dahlab, B. P. 270, Route de Soumaa, Blida (Algeria); Departement de physique, Faculté des Sciences, Université M’hamed Bougara, Boumerdes (Algeria); iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Msimanga, M. [Department of Physics, Arcadia Campus, Tshwane University of Technology, P. Bag X680, Pretoria (South Africa); Mammeri, S. [Centre de Recherche Nucléaire d’Alger, 2 Bd. Frantz Fanon, B.P. 399, Alger-Gare, Algiers (Algeria); Hedibel, M. [Departement de physique, Faculté des Sciences, Université M’hamed Bougara, Boumerdes (Algeria); Guedioura, B. [Centre de Recherche Nucléaire de Draria, B.P. 43, Sebala-Draria, Algiers (Algeria); Pineda-Vargas, C.A. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Faculty of Health and Wellness Sciences, CPUT, P.O. Box 1906, Bellville 7535 (South Africa)

    2015-11-15

    Experimental stopping data of, {sup 63}Cu, {sup 28}Si and {sup 27}Al heavy ions in thin Polyvinylchloride (H{sub 3}C{sub 2}Cl{sub 1}) foil have been obtained over the 0.045–0.50 MeV/nucleon energy range. The measured energy losses were carried out by Heavy Ion Elastic Recoil Detection Analysis (HI-ERDA) technique coupled with time of flight (ToF) spectrometer. A continuous stopping power data obtained in this work are well fitted by our proposed semi-empirical formula and the results are compared to those calculated by LSS formula or generated by SRIM-2013 and MSTAR predictions. Calculations using our formula agree well with the obtained experimental stopping powers, while the LSS formula underestimates the experimental data in the whole investigated energy range. In this work a simple expression for electronic stopping power of heavy ions at low energy in solid targets is introduced. This formula is based on the Firsov and Lindhard–Sharff stopping power models with a small modification made to the original expression, by incorporating the effective charge of moving ions concept and with exponential fit function.

  17. Indoor temperatures for calculating room heat loss and heating capacity of radiant heating systems combined with mechanical ventilation systems

    DEFF Research Database (Denmark)

    Wu, Xiaozhou; Olesen, Bjarne W.; Fang, Lei

    2016-01-01

    change rates on the indoor temperatures were performed using the proposed model. When heated surface temperatures and air change rates were from 21.0 to 29.0 degrees C and from 0.5 to 4.0 h-1, the indoor temperatures for calculating the transmission heat loss and ventilation heat loss were between 20...

  18. STIM with energy loss contrast: An imaging modality unique to MeV ions

    International Nuclear Information System (INIS)

    Lefevre, H.W.; Schofield, R.M.S.; Bench, G.S.; Legge, G.J.F.

    1991-01-01

    Scanning transmission ion microscopy (STIM) through measurement of energy loss of individual ions is a quantitative imaging technique with several unique capabilities. The uniqueness derives conjointly from the large penetration with small scattering of MeV ions in low-Z specimens, from the simple relationship between energy loss and projected or areal density, and from the almost 100% efficiency with which one obtains pixel data from individual ions. Since contrast is in energy loss and not in numbers of events, the statistics of energy loss straggling affects the image but the statistics of counting does not. Small scattering makes it possible to observe details within transparent specimens. High efficiency makes it possible to collect large data sets for computed tomography, stereo, or high-definition imaging with a small radiation dose. High efficiency allows one to minimize aberrations by use of small apertures, to achieve good precision in the determination of areal density, or even to image live biological specimens in air since only one or a few ions per pixel are required. This paper includes a bibliography on STIM with MeV ions, it discusses the accuracy that one can achieve in the areal density coloring of a pixel with data from one or a few ions, and it supplements that review with recent examples from the Melbourne and the Eugene microprobes. (orig.)

  19. Laser field effects on the transport phenomena: Energy loss and stopping power

    International Nuclear Information System (INIS)

    Torres Silva, H.; Sakanaka, P.H.

    1990-01-01

    The energy loss method has been applied to a large variety of transport problems in optics, solid-state and fusion research. In these papers, however, the transport equations were linearized, so there are no multiphoton interaction. On the other hand, Bivona et al. (1982) [2] have shown that, for a one-component plasma, the strong field effects would be only of academic interest. On the basis of the center of mass approach [3], a generalization of the energy loss rate which is in accordance with the recent results of Arista et al. (1989) [4] is obtained. (Author)

  20. Effect of Diet Composition on Energy Expenditure during Weight Loss: The POUNDS LOST Study

    Science.gov (United States)

    Bray, George A.; Smith, Steven R.; DeJonge, Lilian; de Souza, Russell; Rood, Jennifer; Champagne, Catherine M.; Laranjo, Nancy; Carey, Vincent; Obarzanek, Eva; Loria, Catherine M.; Anton, Stephen D.; Ryan, Donna H.; Greenway, Frank L.; Williamson, Donald; Sacks, Frank M.

    2011-01-01

    Background Weight loss reduces energy expenditure, but the contribution of different macronutrients to this change is unclear. Hypothesis We tested the hypothesis that macronutrient composition of the diet might affect the partitioning of energy expenditure during weight loss. Design A sub-study of 99 participants from the POUNDS LOST trial had total energy expenditure (TEE) measured by doubly labeled water and resting energy expenditure (REE) measured by indirect calorimetry at baseline and repeated at 6 months in 89 participants. Participants were randomly assigned to one of 4 diets with either 15% or 25% protein and 20% or 40% fat. Results TEE and REE were positively correlated with each other and with fat free mass and body fat, at baseline and 6 months. The average weight loss of 8.1±0.65 kg (LSmean±SE) reduced TEE by 120±56 kcal/d and REE by 136±18 kcal/d. A greater weight loss at 6 months was associated with a greater decrease in TEE and REE. Participants eating the high fat diet lost significantly more fat free mass (1.52±0.55 kg) than the low fat diet group (p<0.05). Participants eating the low fat diet had significantly higher measures of physical activity than the high fat group. Conclusion A greater weight loss was associated with a larger decrease in both TEE and REE. The low fat diet was associated with significant changes in fat free body mass and energy expenditure from physical activity compared to the high fat diet. PMID:21946707

  1. Inelastic energy loss in large angle scattering of Ar9+ ions from Au(1 1 1) crystal

    International Nuclear Information System (INIS)

    Pesic, Z.D.; Anton, J.; Bremer, J.H.; Hoffmann, V.; Stolterfoht, N.; Vikor, Gy.; Schuch, R.

    2003-01-01

    The azimuthal angle dependence of the energy loss in large-angle scattering of slow (v∼0.06 a.u.) Ar 9+ ions from a Au(1 1 1) single crystal was investigated. Regarding the kinematics of quasi-single collisions, the smallest energy loss is expected for the azimuthal orientations which correspond to the closest packed atomic row of the crystal. This agrees with the prediction of a trajectory simulation (Marlowe code), but the experimental results don't show such dependence. Thus, we discuss possible inelastic processes as image charge energy gain, electronic energy loss in close collision and the electronic energy loss in the interaction with the electron gas. The observed azimuthal dependence is explained by the change of the electronic stopping power due to the variation of effective electron density sampled by the projectile

  2. Radiative interaction of a focused relativistic electron beam in energy-loss spectroscopy of nanoscopic platelets

    International Nuclear Information System (INIS)

    Itskovsky, M. A.; Maniv, T.; Cohen, H.

    2008-01-01

    A quantum-mechanical scattering theory for relativistic, highly focused electron beams in the vacuum near nanoscopic platelets is presented, revealing an excitation mechanism due to the electron wave scattering from the platelet edges. Radiative electromagnetic excitations within the light cone are shown to arise, allowed by the breakdown of momentum conservation along the beam axis in the inelastic-scattering process. Calculated for metallic (silver and gold) and insulating (SiO 2 and MgO) nanoplatelets, radiative features are revealed above the main surface-plasmon-polariton peak, and dramatic enhancements in the electron-energy-loss probability at gaps of the 'classical' spectra are found. The corresponding radiation should be detectable in the vacuum far-field zone, with e beams exploited as sensitive 'tip detectors' of electronically excited nanostructures

  3. Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method

    International Nuclear Information System (INIS)

    Zeng Xiancheng; Hu Hao; Hu Xiangqian; Yang Weitao

    2009-01-01

    A quantum mechanical/molecular mechanical minimum free energy path (QM/MM-MFEP) method was developed to calculate the redox free energies of large systems in solution with greatly enhanced efficiency for conformation sampling. The QM/MM-MFEP method describes the thermodynamics of a system on the potential of mean force surface of the solute degrees of freedom. The molecular dynamics (MD) sampling is only carried out with the QM subsystem fixed. It thus avoids 'on-the-fly' QM calculations and thus overcomes the high computational cost in the direct QM/MM MD sampling. In the applications to two metal complexes in aqueous solution, the new QM/MM-MFEP method yielded redox free energies in good agreement with those calculated from the direct QM/MM MD method. Two larger biologically important redox molecules, lumichrome and riboflavin, were further investigated to demonstrate the efficiency of the method. The enhanced efficiency and uncompromised accuracy are especially significant for biochemical systems. The QM/MM-MFEP method thus provides an efficient approach to free energy simulation of complex electron transfer reactions.

  4. Loss minimization control and efficiency determination of electric drives in traction applications

    Energy Technology Data Exchange (ETDEWEB)

    Windisch, Thomas; Hofmann, Wilfried [Technische Univ. Dresden (Germany). Lehrstuhl fuer Elektrische Maschinen und Antriebe

    2012-11-01

    High-power electric drives in automotive traction applications consume a large part of the disposable electric energy. For this reason the energy efficiency of the drives is of great importance for range and fuel consumption of the hybrid electric vehicle. The paper describes two possible drives with different electric motors from a control point of view. The electric power losses in the drive system are determined depending on the operating point of the machine. With these loss characteristics the control of the drives is optimized to produce minimal losses. Finally the energy efficiency for a realistic urban bus drive cycle is calculated to compare the two types. (orig.)

  5. Electron loss from multiply protonated lysozyme ions in high energy collisions with molecular oxygen

    DEFF Research Database (Denmark)

    Hvelplund, P; Nielsen, SB; Sørensen, M

    2001-01-01

    We report on the electron loss from multiply protonated lysozyme ions Lys-Hn(n)+ (n = 7 - 17) and the concomitant formation of Lys-Hn(n+1)+. in high-energy collisions with molecular oxygen (laboratory kinetic energy = 50 x n keV). The cross section for electron loss increases with the charge state...... of the precursor from n = 7 to n = 11 and then remains constant when n increases further. The absolute size of the cross section ranges from 100 to 200 A2. The electron loss is modeled as an electron transfer process between lysozyme cations and molecular oxygen....

  6. Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels

    Science.gov (United States)

    Dral, Pavlo O.; Owens, Alec; Yurchenko, Sergei N.; Thiel, Walter

    2017-06-01

    We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to automatically assign nuclear configurations from a pre-defined grid to the training and prediction sets, respectively. Accurate high-level ab initio energies are required only for the points in the training set, while the energies for the remaining points are provided by the ML model with negligible computational cost. The proposed sampling procedure is shown to be superior to random sampling and also eliminates the need for training several ML models. Self-correcting machine learning has been implemented such that each additional layer corrects errors from the previous layer. The performance of our approach is demonstrated in a case study on a published high-level ab initio PES of methyl chloride with 44 819 points. The ML model is trained on sets of different sizes and then used to predict the energies for tens of thousands of nuclear configurations within seconds. The resulting datasets are utilized in variational calculations of the vibrational energy levels of CH3Cl. By using both structure-based sampling and self-correction, the size of the training set can be kept small (e.g., 10% of the points) without any significant loss of accuracy. In ab initio rovibrational spectroscopy, it is thus possible to reduce the number of computationally costly electronic structure calculations through structure-based sampling and self-correcting KRR-based machine learning by up to 90%.

  7. Gamma-point lattice free energy estimates from O(1) force calculations

    DEFF Research Database (Denmark)

    Voss, Johannes; Vegge, Tejs

    2008-01-01

    We present a new method for estimating the vibrational free energy of crystal (and molecular) structures employing only a single force calculation, for a particularly displaced configuration, in addition to the calculation of the ground state configuration. This displacement vector is the sum...

  8. Proton channeling in Au at low energies; Canalizacion de protones en Au a bajas energias

    Energy Technology Data Exchange (ETDEWEB)

    Valdes, J E; Vargas, P [Chile Univ., Santiago (Chile). Dept. de Fisica

    1997-12-31

    The electronic energy loss for low velocity protons channeled in the <100> direction single crystal Au is calculated. The spatial distribution of valence electronic density in Au is calculated using Tight Binding Linear Muffin Tin Method. The proton trajectories are determined by numerical integration of the classical motion equation, and the energy loss is evaluated using the calculated valence electronic density in the friction term. The results allow to describe qualitatively the non linear behavior of energy loss with ion velocity observed experimentally. (author). 14 refs., 4 figs.

  9. Optimization of Monochromated TEM for Ultimate Resolution Imaging and Ultrahigh Resolution Electron Energy Loss Spectroscopy

    KAUST Repository

    Lopatin, Sergei; Cheng, Bin; Liu, Wei-Ting; Tsai, Meng-Lin; He, Jr-Hau; Chuvilin, Andrey

    2017-01-01

    The performance of a monochromated transmission electron microscope with Wien type monochromator is optimized to achieve an extremely narrow energy spread of electron beam and an ultrahigh energy resolution with spectroscopy. The energy spread in the beam is improved by almost an order of magnitude as compared to specified values. The optimization involves both the monochromator and the electron energy loss detection system. We demonstrate boosted capability of optimized systems with respect to ultra-low loss EELS and sub-angstrom resolution imaging (in a combination with spherical aberration correction).

  10. Optimization of Monochromated TEM for Ultimate Resolution Imaging and Ultrahigh Resolution Electron Energy Loss Spectroscopy

    KAUST Repository

    Lopatin, Sergei

    2017-09-01

    The performance of a monochromated transmission electron microscope with Wien type monochromator is optimized to achieve an extremely narrow energy spread of electron beam and an ultrahigh energy resolution with spectroscopy. The energy spread in the beam is improved by almost an order of magnitude as compared to specified values. The optimization involves both the monochromator and the electron energy loss detection system. We demonstrate boosted capability of optimized systems with respect to ultra-low loss EELS and sub-angstrom resolution imaging (in a combination with spherical aberration correction).

  11. Heavy quark energy loss far from equilibrium in a strongly coupled collision

    CERN Document Server

    Chesler, Paul M; Rajagopal, Krishna

    2013-01-01

    We compute and study the drag force acting on a heavy quark propagating through the matter produced in the collision of two sheets of energy in a strongly coupled gauge theory that can be analyzed holographically. Although this matter is initially far from equilibrium, we find that the equilibrium expression for heavy quark energy loss in a homogeneous strongly coupled plasma with the same instantaneous energy density or pressure as that at the location of the quark describes many qualitative features of our results. One interesting exception is that there is a time delay after the initial collision before the heavy quark energy loss becomes significant. At later times, once a liquid plasma described by viscous hydrodynamics has formed, expressions based upon assuming instantaneous homogeneity and equilibrium provide a semi-quantitative description of our results - as long as the rapidity of the heavy quark is not too large. For a heavy quark with large rapidity, the gradients in the velocity of the hydrodyna...

  12. Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems

    Science.gov (United States)

    Swinburne, Thomas D.; Marinica, Mihai-Cosmin

    2018-03-01

    The calculation of free energy differences for thermally activated mechanisms in the solid state are routinely hindered by the inability to define a set of collective variable functions that accurately describe the mechanism under study. Even when possible, the requirement of descriptors for each mechanism under study prevents implementation of free energy calculations in the growing range of automated material simulation schemes. We provide a solution, deriving a path-based, exact expression for free energy differences in the solid state which does not require a converged reaction pathway, collective variable functions, Gram matrix evaluations, or probability flux-based estimators. The generality and efficiency of our method is demonstrated on a complex transformation of C 15 interstitial defects in iron and double kink nucleation on a screw dislocation in tungsten, the latter system consisting of more than 120 000 atoms. Both cases exhibit significant anharmonicity under experimentally relevant temperatures.

  13. CONTEMPT: computer program for predicting containment pressure-temperature response to a loss-of-coolant accident

    International Nuclear Information System (INIS)

    Hsii, Y.H.

    1978-04-01

    The CONTEMPT code is used by Babcock and Wilcox for containment analysis following a postulated loss of coolant accident. An additional model is described which is used for the calculation of long term post reflood mass and energy releases to the containment that is used for the containment design basis LOCA calculations. These calculations maximize the rate of energy flow to the containment. The mass and energy data are given to the containment designer for use in calculating the containment building design pressure and temperature and in sizing containment heat removal equipment

  14. Definition of loss-of-coolant accident radiation source. [PWR; BWR

    Energy Technology Data Exchange (ETDEWEB)

    1978-02-01

    Meaningful qualification testing of nuclear reactor components requires a knowledge of the radiation fields expected in a loss-of-coolant accident (LOCA). The overall objective of this program is to define the LOCA source terms and compare these with the output of various simulators employed for radiation qualification testing. The basis for comparison will be the energy deposition in a model reactor component. The results of the calculations are presented and some interpretation of the results given. The energy release rates and spectra were validated by comparison with other calculations using different codes since experimental data appropriate to these calculations do not exist.

  15. Application of wavelet scaling function expansion continuous-energy resonance calculation method to MOX fuel problem

    International Nuclear Information System (INIS)

    Yang, W.; Wu, H.; Cao, L.

    2012-01-01

    More and more MOX fuels are used in all over the world in the past several decades. Compared with UO 2 fuel, it contains some new features. For example, the neutron spectrum is harder and more resonance interference effects within the resonance energy range are introduced because of more resonant nuclides contained in the MOX fuel. In this paper, the wavelets scaling function expansion method is applied to study the resonance behavior of plutonium isotopes within MOX fuel. Wavelets scaling function expansion continuous-energy self-shielding method is developed recently. It has been validated and verified by comparison to Monte Carlo calculations. In this method, the continuous-energy cross-sections are utilized within resonance energy, which means that it's capable to solve problems with serious resonance interference effects without iteration calculations. Therefore, this method adapts to treat the MOX fuel resonance calculation problem natively. Furthermore, plutonium isotopes have fierce oscillations of total cross-section within thermal energy range, especially for 240 Pu and 242 Pu. To take thermal resonance effect of plutonium isotopes into consideration the wavelet scaling function expansion continuous-energy resonance calculation code WAVERESON is enhanced by applying the free gas scattering kernel to obtain the continuous-energy scattering source within thermal energy range (2.1 eV to 4.0 eV) contrasting against the resonance energy range in which the elastic scattering kernel is utilized. Finally, all of the calculation results of WAVERESON are compared with MCNP calculation. (authors)

  16. Ripple induced trapped particle loss in tokamaks

    International Nuclear Information System (INIS)

    White, R.B.

    1996-05-01

    The threshold for stochastic transport of high energy trapped particles in a tokamak due to toroidal field ripple is calculated by explicit construction of primary resonances, and a numerical examination of the route to chaos. Critical field ripple amplitude is determined for loss. The expression is given in magnetic coordinates and makes no assumptions regarding shape or up-down symmetry. An algorithm is developed including the effects of prompt axisymmetric orbit loss, ripple trapping, convective banana flow, and stochastic ripple loss, which gives accurate ripple loss predictions for representative Tokamak Fusion Test Reactor and International Thermonuclear Experimental Reactor equilibria. The algorithm is extended to include the effects of collisions and drag, allowing rapid estimation of alpha particle loss in tokamaks

  17. Radiation losses and global energy balance for Ohmically heated discharges in ASDEX

    International Nuclear Information System (INIS)

    Mueller, E.R.; Behringer, K.; Niedermeyer, H.

    1982-01-01

    Global energy balance, radiation profiles and dominant impurity radiation sources are compared for Ohmically heated limiter and divertor discharges in the ASDEX tokamak. In discharges with a poloidal stainless-steel limiter, total radiation from the plasma is the dominant energy loss channel. The axisymmetric divertor reduces this volume-integrated radiation to 30-35% of the heating power and additional Ti-gettering halves it again to 10-15%. Local radiation losses in the plasma centre, which are mainly due to the presence of iron impurity ions, are reduced by about one order of magnitude. In high-current (Isub(p) = 400 kA) and high-density (nsub(e)-bar = 6 x 10 13 cm -3 ) ungettered divertor discharges, up to 55% of the heating power is dumped into a cold-gas target inside the divertor chambers. The bolometrically detected volume power losses in the chambers can mainly be attributed to neutral hydrogen atoms with kinetic energies of a few eV. In this parameter range, the divertor plasma is dominated by inelastic molecular and atomic processes, the main process being Franck-Condon dissociation of H 2 molecules. (author)

  18. Conservatism of loss-of-coolant accident licensing analysis compared to experimental results and best-estimate calculation

    International Nuclear Information System (INIS)

    Winkler, F.; Friedmann, P.

    1986-01-01

    The paper compares results of loss-of-coolant accident licensing analysis with experimental results and results of best-estimate calculations. The large safety margins resulting from the more realistic best-estimate results are used to show the high conservatism inherent in the licensing process of pressurized water reactors. (orig.) [de

  19. Calculation of Direct photon production in nuclear collisions

    CERN Document Server

    Cepila, J

    2012-01-01

    Prompt photons produced in a hard reaction are not expected to be accompanied by any final state interaction, either energy loss or absorption and one should not expect any nuclear effects at high pT . However, data from the PHENIX experiment indicates large-pT suppression in d+Au and central Au+Au collisions that cannot be accompanied by coherent phenomena. We propose a mechanism based on the energy sharing problem at large pT near the kinematic limit that is induced by multiple initial state interactions and that improves the agreement of calculations with PHENIX data. We calculate inclusive direct photon production cross sections in p+p collisions at RHIC and LHC energies using the color dipole approach without any additional parameter. Our predictions are in good agreement with the available data. Within the same framework, we calculate direct photon production rates in d+A and A+A collisions at RHIC energy. We also provide predictions for the same process in p+A collisions at LHC energy. Since the kinema...

  20. Conventional method for the calculation of the global energy cost of buildings; Methode conventionnelle de calcul du cout global energetique des batiments

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-05-01

    A working group driven by Electricite de France (EdF), Chauffage Fioul and Gaz de France (GdF) companies has been built with the sustain of several building engineering companies in order to clarify the use of the method of calculation of the global energy cost of buildings. This global cost is an economical decision help criterion among others. This press kit presents, first, the content of the method (input data, calculation of annual expenses, calculation of the global energy cost, display of results and limitations of the method). Then it fully describes the method and its appendixes necessary for its implementation: economical and financial context, general data of the project in progress, environmental data, occupation and comfort level, variants, investment cost of energy systems, investment cost for the structure linked with the energy system, investment cost for other invariant elements of the structure, calculation of consumptions (space heating, hot water, ventilation), maintenance costs (energy systems, structure), operation and exploitation costs, tariffs and consumption costs and taxes, actualized global cost, annualized global cost, comparison between variants. The method is applied to a council building of 23 flats taken as an example. (J.S.)

  1. Toward understanding as photosynthetic biosignatures: light harvesting and energy transfer calculation

    Science.gov (United States)

    Komatsu, Y.; Umemura, M.; Shoji, M.; Shiraishi, K.; Kayanuma, M.; Yabana, K.

    2014-03-01

    Among several proposed biosignatures, red edge is a direct evidence of photosynthetic life if it is detected (Kiang et al 2007). Red edge is a sharp change in reflectance spectra of vegetation in NIR region (about 700-750 nm). The sign of red edge is observed by Earthshine or remote sensing (Wolstencroft & Raven 2002, Woolf et al 2002). But, why around 700-750 nm? The photosynthetic organisms on Earth have evolved to optimize the sunlight condition. However, if we consider about photosynthetic organism on extrasolar planets, they should have developed to utilize the spectra of its principal star. Thus, it is not strange even if it shows different vegetation spectra. In this study, we focused on the light absorption mechanism of photosynthetic organisms on Earth and investigated the fundamental properties of the light harvesting mechanisms, which is the first stage for the light absorption. Light harvesting complexes contain photosynthetic pigments like chlorophylls. Effective light absorption and the energy transfer are accomplished by the electronic excitations of collective photosynthetic pigments. In order to investigate this mechanism, we constructed an energy transfer model by using a dipole-dipole approximation for the interactions between electronic excitations. Transition moments and transition energies of each pigment are calculated at the time-dependent density functional theory (TDDFT) level (Marques & Gross 2004). Quantum dynamics simulation for the excitation energy transfer was calculated by the Liouvelle's equation. We adopted the model to purple bacteria, which has been studied experimentally and known to absorb lower energy. It is meaningful to focus on the mechanism of this bacteria, since in the future mission, M planets will become a important target. We calculated the oscillator strengths in one light harvesting complex and confirmed the validity by comparing to the experimental data. This complex is made of an inner and an outer ring. The

  2. Quantum complex rotation and uniform semiclassical calculations of complex energy eigenvalues

    International Nuclear Information System (INIS)

    Connor, J.N.L.; Smith, A.D.

    1983-01-01

    Quantum and semiclassical calculations of complex energy eigenvalues have been carried out for an exponential potential of the form V 0 r 2 exp(-r) and Lennard-Jones (12,6) potential. A straightforward method, based on the complex coordinate rotation technique, is described for the quantum calculation of complex eigenenergies. For singular potentials, the method involves an inward and outward integration of the radial Schroedinger equation, followed by matching of the logarithmic derivatives of the wave functions at an intermediate point. For regular potentials, the method is simpler, as only an inward integration is required. Attention is drawn to the World War II researches of Hartree and co-workers who anticipated later quantum mechanical work on the complex rotation method. Complex eigenenergies are also calculated from a uniform semiclassical three turning point quantization formula, which allows for the proximity of the outer pair of complex turning points. Limiting cases of this formula, which are valid for very narrow or very broad widths, are also used in the calculations. We obtain good agreement between the semiclassical and quantum results. For the Lennard-Jones (12,6) potential, we compare resonance energies and widths from the complex energy definition of a resonance with those obtained from the time delay definition

  3. Some thoughts on source monochromation and the implications for electron energy loss spectroscopy

    CERN Document Server

    Brydson, R; Brown, A

    2003-01-01

    We briefly outline the factors determining the intrinsic widths of features in electron energy loss near edge structure (ELNES) measured by electron energy loss spectroscopy (EELS) in the transmission electron microscope (TEM). We have made estimates of the differing contributions of both the initial and final state lifetime effects in the ELNES ionisation processes and also show how these may be combined with the instrumental energy resolution. We discuss the potential benefits of source monochromation for ELNES measurements via a comparison of these theoretical estimates with experimental spectra from the literature. We show that for certain core level excitations, solid state broadening mechanisms may be the fundamental limiting factor for resolving fine detail in ELNES. (orig.)

  4. Improvements to the nuclear model code GNASH for cross section calculations at higher energies

    International Nuclear Information System (INIS)

    Young, P.G.; Chadwick, M.B.

    1994-01-01

    The nuclear model code GNASH, which in the past has been used predominantly for incident particle energies below 20 MeV, has been modified extensively for calculations at higher energies. The model extensions and improvements are described in this paper, and their significance is illustrated by comparing calculations with experimental data for incident energies up to 160 MeV

  5. 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

  6. Energy-depth relation of electrons in bulk targets by Monte-Carlo calculations

    International Nuclear Information System (INIS)

    Gaber, M.; Fitting, H.J.

    1984-01-01

    Monte-Carlo calculations are used to calculate the energy of penetrating electrons as a function of the depth in thick targets of Ti, Fe, Cu, As, In, and Au. It is shown that the mean energy ratio anti E(z)/E 0 decays exponentially with depth z and depends on the backscattering coefficient eta/sub B/ of the bulk material and the maximum range R(E 0 ) of the primary electrons with initial energy E 0 . Thereby a normalized plot anti E/E 0 as a function of the reduced depth z/R becomes possible. (author)

  7. Calculated energy response of lithium fluoride finger-tip dosimeters

    International Nuclear Information System (INIS)

    Johns, T.F.

    1965-07-01

    Calculations have been made of the energy response of the lithium fluoride thermoluminescent dosimeters being used at A.E.E. Winfrith for the measurement of radiation doses to the finger-tips of people handling radio-active materials. It is shown that the energy response is likely to be materially affected if the sachet in which the powder is held contains elements with atomic numbers much higher than 9 (e.g. if the sachet is made from polyvinyl chloride). (author)

  8. Comparison of thick-target (alpha,n yield calculation codes

    Directory of Open Access Journals (Sweden)

    Fernandes Ana C.

    2017-01-01

    Full Text Available Neutron production yields and energy distributions from (α,n reactions in light elements were calculated using three different codes (SOURCES, NEDIS and USD and compared with the existing experimental data in the 3.5-10 MeV alpha energy range. SOURCES and NEDIS display an agreement between calculated and measured yields in the decay series of 235U, 238U and 232Th within ±10% for most materials. The discrepancy increases with alpha energy but still an agreement of ±20% applies to all materials with reliable elemental production yields (the few exceptions are identified. The calculated neutron energy distributions describe the experimental data, with NEDIS retrieving very well the detailed features. USD generally underestimates the measured yields, in particular for compounds with heavy elements and/or at high alpha energies. The energy distributions exhibit sharp peaks that do not match the observations. These findings may be caused by a poor accounting of the alpha particle energy loss by the code. A big variability was found among the calculated neutron production yields for alphas from Sm decay; the lack of yield measurements for low (~2 MeV alphas does not allow to conclude on the codes’ accuracy in this energy region.

  9. Energy loss of gluons, baryons and k-quarks in an N = 4 SYM plasma

    International Nuclear Information System (INIS)

    Chernicoff, Mariano; Gueijosa, Alberto

    2007-01-01

    We consider different types of external color sources that move through a strongly-coupled thermal N = 4 super-Yang-Mills plasma, and calculate, via the AdS/CFT correspondence, the dissipative force (or equivalently, the rate of energy loss) they experience. A bound state of k quarks in the totally antisymmetric representation is found to feel a force with a nontrivial k-dependence. Our result for k=1 (or k = N-1) agrees at large N with the one obtained recently by Herzog et al. and Gubser, but contains in addition an infinite series of 1/N corrections. The baryon (k = N) is seen to experience no drag. Finally, a heavy gluon is found to be subject to a force which at large N is twice as large as the one experienced by a heavy quark, in accordance with gauge theory expectations

  10. Use of an expert system for energy cost calculations in the pulp and paper industry

    International Nuclear Information System (INIS)

    Viinikainen, S.; Malinen, H.

    1991-12-01

    In this paper, an application for the calculation of energy prices and product energy costs in the pulp and paper industry by using the Xi Plus expert system is presented. The use of expert systems in the energy field and also the Xi Plus expert system and its general features are also discussed. The application has been made after collecting data from several sources. It runs in an IBM AT compatible microcomputer therefore being easily used in mills. The name of the application is PRODUCT ENERGY COST. It has a three level structure: the mill level, the department level and the main equipment level. Currently, the mill level and, in the energy production area, the department level (power plant) and the equipment level (boilers, turbines) are used. The application consists of four knowledge base groups. Altogether there are 52 separate knowledge bases having 534 rules or demons. The knowledge base groups are: BASIC DATA, ENERGY USE, ENERGY PRODUCTION and ENERGY COSTS. The application can be used for various heat and electrical energy price calculations or for energy cost calculations for different pulp and paper products. In this study, the energy prices for kraft pulp, TMP, newsprint and fine paper in different operating conditions and the associated energy costs of the products are calculated. Also, in some cases a sensitivity analysis is done. The expert system is quite suitable for this type of calculation and the method could be further developed for specific industrial needs, e.g. to enhance the energy management systems

  11. Calculations of the thermal expansion, cohesive energy and thermodynamic stability of a Van der Waals crystal - fullerene C60

    International Nuclear Information System (INIS)

    Zubov, V.I.; Tretiakov, N.P.; Teixeira Rabelo, J.N.; Sanchez Ortiz, J.F.

    1994-01-01

    The temperature dependence of the intermolecular distance and the cohesive energy in the high-temperature modification of C 60 solid fullerene was studied on basis of the correlative method of unsymmetrized self-consistent field. The central intermolecular potential of Girifalco and its approximation by Yakub were used. We conclude about the decisive role of anharmonic effects at high temperatures. The discrepancy between the calculated and experimental values of intermolecular distance does not exceed 0.8% on the whole temperature interval. The temperature of loss of thermodynamic stability was obtained (∼1915 K) and a possible melting temperature was estimated (∼1400 K). ((orig.))

  12. Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.

    Science.gov (United States)

    Nascimento, Érica C M; Oliva, Mónica; Andrés, Juan

    2018-05-01

    In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

  13. Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase

    Science.gov (United States)

    Nascimento, Érica C. M.; Oliva, Mónica; Andrés, Juan

    2018-05-01

    In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

  14. Thermal energy storage and losses in a room-Trombe wall system located in Mexico

    International Nuclear Information System (INIS)

    Hernández-López, I.; Xamán, J.; Chávez, Y.; Hernández-Pérez, I.; Alvarado-Juárez, R.

    2016-01-01

    A thermal evaluation of a R-TW system (room with a Trombe wall) is presented. Hourly climatic data of the coldest and the warmest days of 2014 was used to assess the behavior of the R-TW in two cities of Mexico with cold climate (Huitzilac and Toluca). The simulations were done with an in-house code based on the Finite Volume Method. It was found that thermal energy losses through the semitransparent wall are about 60% of the solar radiation incident on the system (G_s_o_l). Despite of the thermal losses, the system gets enough energy to keep the air inside the room with a temperature above 35 °C. For both cities during the coldest day, the maximum energy stored is about 109 MJ and during the warmest day is about 70 MJ. This energy is supplied from the storage wall to the air inside the room during periods without insolation. - Highlights: • Thermal performance of a Room-Trombe Wall system was evaluated under two cold cities. • Thermal energy losses through the semitransparent wall were about 60% of the solar radiation incident of the system. • The maximum energy stored by the Trombe Wall was 109 MJ during the coldest day. • The maximum energy stored by the Trombe Wall was 70 MJ during the warmest day.

  15. MONTE CARLO CALCULATION OF THE ENERGY RESPONSE OF THE NARF HURST-TYPE FAST- NEUTRON DOSIMETER

    Energy Technology Data Exchange (ETDEWEB)

    De Vries, T. W.

    1963-06-15

    The response function for the fast-neutron dosimeter was calculated by the Monte Carlo technique (Code K-52) and compared with a calculation based on the Bragg-Gray principle. The energy deposition spectra so obtained show that the response spectra become softer with increased incident neutron energy ahove 3 Mev. The K-52 calculated total res nu onse is more nearly constant with energy than the BraggGray response. The former increases 70 percent from 1 Mev to 14 Mev while the latter increases 135 percent over this energy range. (auth)

  16. A practical method to calculate the R1 index of waste-to-energy facilities.

    Science.gov (United States)

    Viganò, Federico

    2018-03-01

    According to Directive 98/2008/EC, the operation carried out by an incinerator of Municipal Solid Waste (MSW) is classified either as energy recovery (R1) or as disposal (D10) depending on the result achieved by the application of the R1 formula. In 2011 the DG Environment of the European Commission (EC) issued some non-binding guidelines on the interpretation of such a formula that clarified many aspects related to its application. A point not fully clarified by the EC guidelines is the determination of the energy contained in the treated waste (E W ). For this term of the formula, reference is made to the indirect method for the calculation of boiler thermal efficiency, as defined by the norm EN 12952-15. However, the application of such a norm to an entire year of operation of a Waste-to-Energy (WtE) boiler is not immediate. Therefore, a practical method for the calculation of the E W term has been developed in the framework of a collaboration between the MatER Study Centre and the Lombardy Region (Italy). The method is based on: (i) the identification of the most reliable data available from the Distributed Control System (DCS) of the plant; (ii) the definition of a control volume around the boiler(s) also based on the availability of data; (iii) the closure of the mass balance for such a control volume; (iv) the energy balance of the same control volume that gives, thus, the E W term of the R1 formula. The method has been applied in 2015-2016 to nine plants, generating a number of interesting data reported and discussed in this work, such as R1 index values, Lower Heating Values (LHV) of the treated wastes, main sources of energy losses in WtE boilers, etc. For one case study, discussed in detail in this work, the law of propagation of uncertainties has been applied according to the ISO/IEC Guide 98-3, leading to the assessment of the accuracy of the method, which resulted in ±2.4% with a confidence level of circa 95%. Copyright © 2017 Elsevier Ltd. All

  17. 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.

  18. 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.

  19. Electron energy loss spectroscopy of gold nanoparticles on graphene

    International Nuclear Information System (INIS)

    DeJarnette, Drew; Roper, D. Keith

    2014-01-01

    Plasmon excitation decay by absorption, scattering, and hot electron transfer has been distinguished from effects induced by incident photons for gold nanoparticles on graphene monolayer using electron energy loss spectroscopy (EELS). Gold nano-ellipses were evaporated onto lithographed graphene, which was transferred onto a silicon nitride transmission electron microscopy grid. Plasmon decay from lithographed nanoparticles measured with EELS was compared in the absence and presence of the graphene monolayer. Measured decay values compared favorably with estimated radiative and non-radiative contributions to decay in the absence of graphene. Graphene significantly enhanced low-energy plasmon decay, increasing mode width 38%, but did not affect higher energy plasmon or dark mode decay. This decay beyond expected radiative and non-radiative mechanisms was attributed to hot electron transfer, and had quantum efficiency of 20%, consistent with previous reports

  20. Calorific energy deposited by gamma radiations in a test reactor. Calorimetric measurements and calculations

    International Nuclear Information System (INIS)

    Mecheri, K.-F.

    1977-01-01

    The purpose of this work was to determine the calorific energy deposited by gamma radiations in the experimental devices irradiated in the test reactors of the Grenoble Nuclear Study Centre. A theoretical study briefly recalls to mind the various sorts of nuclear reactions that occur in a reactor, from the special angle of their ability to deposit calorific energy in the materials. A special study with the help of a graphite calorimeter made it possible to show the possible effect of the various parameters intervening in this energy absorption: the nature of the materials, their geometry, the spectrum of the incident gamma rays and the fact that the variation of this spectrum is due to the position of the measuring point with respect to the reactor core or to the presence of structures around the measuring instrument. The results of the calculations made with the help of the Mercury IV and ANISN codes are compared with those of the determinations in order to ascertain that very are adapted to the forecasts of energy deposition in the various materials. The conclusion was reached that in order to calculate with accuracy the depositifs of gamma energy in the experimental devices, it is necessary either to introduce the build-up calculation for the low energy photons, in the Mercury IV calculation code or to associate the DOT code to the ANISN calculation code [fr

  1. Calculation of the fifth atomic energy research dynamic benchmark with APROS

    International Nuclear Information System (INIS)

    Puska Eija Karita; Kontio Harii

    1998-01-01

    The band-out presents the model used for calculation of the fifth atomic energy research dynamic benchmark with APROS code. In the calculation of the fifth atomic energy research dynamic benchmark the three-dimensional neutronics model of APROS was used. The core was divided axially into 20 nodes according to the specifications of the benchmark and each six identical fuel assemblies were placed into one one-dimensional thermal hydraulic channel. The five-equation thermal hydraulic model was used in the benchmark. The plant process and automation was described with a generic WWER-440 plant model created by IVO Power Engineering Ltd. - Finland. (Author)

  2. Radiative interaction of a focused relativistic electron beam in energy-loss spectroscopy of nanoscopic platelets

    Science.gov (United States)

    Itskovsky, M. A.; Cohen, H.; Maniv, T.

    2008-07-01

    A quantum-mechanical scattering theory for relativistic, highly focused electron beams in the vacuum near nanoscopic platelets is presented, revealing an excitation mechanism due to the electron wave scattering from the platelet edges. Radiative electromagnetic excitations within the light cone are shown to arise, allowed by the breakdown of momentum conservation along the beam axis in the inelastic-scattering process. Calculated for metallic (silver and gold) and insulating ( SiO2 and MgO) nanoplatelets, radiative features are revealed above the main surface-plasmon-polariton peak, and dramatic enhancements in the electron-energy-loss probability at gaps of the “classical” spectra are found. The corresponding radiation should be detectable in the vacuum far-field zone, with e beams exploited as sensitive “tip detectors” of electronically excited nanostructures.

  3. A model for calculating the AC losses of second-generation high temperature superconductor pancake coils

    Energy Technology Data Exchange (ETDEWEB)

    Yuan Weijia; Campbell, A M; Coombs, T A [Electronic, Power and Energy Conversion Group, Engineering Department, University of Cambridge, Cambridge CB2 1PZ (United Kingdom)], E-mail: wy215@cam.ac.uk

    2009-07-15

    A model is presented for calculating the AC losses of a stack of second-generation high temperature superconductor tapes. This model takes as a starting point the model of Clem and co-workers for a stack in which each tape carries the same current. It is based on the assumption that the magnetic flux lines lie parallel to the tapes within the part of the stack where the flux has not penetrated. In this paper we allow for the depth of penetration of field to vary across the stack, and use the Kim model to allow for the variation of J{sub c} with B. The model is applied to the cases of a transport current and an applied field. For a transport current the calculated result differs from the Norris expression for a single tape carrying a uniform current and it does not seem possible to define a suitable average J{sub c} which could be used. Our method also gives a more accurate value for the critical current of the stack than other methods. For an applied field the stack behaves as a solid superconductor with the J{sub c} averaged locally over several tapes, but still allowed to vary throughout the stack on a larger scale. For up to about ten tapes the losses rise rapidly with the number of tapes, but in thicker stacks the tapes shield each other and the losses become that of a slab with a field parallel to the faces.

  4. Fuzzy-TLBO optimal reactive power control variables planning for energy loss minimization

    International Nuclear Information System (INIS)

    Moghadam, Ahmad; Seifi, Ali Reza

    2014-01-01

    Highlights: • A new approach to the problem of optimal reactive power control variables planning is proposed. • The energy loss minimization problem has been formulated by modeling the load of system as a Load Duration Curve. • To solving the energy loss problem, the classic methods and the evolutionary methods are used. • A new proposed fuzzy teaching–learning based algorithm is applied to energy loss problem. • Simulations are done to show the effectiveness and superiority of the proposed algorithm compared with other methods. - Abstract: This paper offers a new approach to the problem of optimal reactive power control variables planning (ORPVCP). The basic idea is division of Load Duration Curve (LDC) into several time intervals with constant active power demand in each interval and then solving the energy loss minimization (ELM) problem to obtain an optimal initial set of control variables of the system so that is valid for all time intervals and can be used as an initial operating condition of the system. In this paper, the ELM problem has been solved by the linear programming (LP) and fuzzy linear programming (Fuzzy-LP) and evolutionary algorithms i.e. MHBMO and TLBO and the results are compared with the proposed Fuzzy-TLBO method. In the proposed method both objective function and constraints are evaluated by membership functions. The inequality constraints are embedded into the fitness function by the membership function of the fuzzy decision and the problem is modeled by fuzzy set theory. The proposed Fuzzy-TLBO method is performed on the IEEE 30 bus test system by considering two different LDC; and it is shown that using this method has further minimized objective function than original TLBO and other optimization techniques and confirms its potential to solve the ORPCVP problem with considering ELM as the objective function

  5. Microscopic calculations of λ single particle energies

    International Nuclear Information System (INIS)

    Usmani, Q. N.

    1998-01-01

    Λ binding energy data for total baryon number A ≤ 208 and for Λ angular momenta ell Λ ≤ 3 are analyzed in terms of phenomenological (but generally consistent with meson-exchange) ΛN and ΛNN potentials. The Fermi-Hypernetted-Chain technique is used to calculate the expectation values for the Λ binding to nuclear matter. Accurate effective ΛN and ΛNN potentials are obtained which are folded with the core nucleus nucleon densities to calculate the Λ single particle potential U Λ (r). We use a dispersive ΛNN potential but also include an explicit ρ dependence to allow for reduced repulsion in the surface, and the best fits have a large ρ dependence giving consistency with the variational Monte Carlo calculations for Λ 5 He. The exchange fraction of the ΛN space-exchange potential is found to be 0.2-0.3 corresponding to m Λ * ≅ (0.74-0.82)m Λ . Charge symmetry breaking is found to be significant for heavy hypernuclei with a large neutron excess, with a strength consistent with that obtained from the A = 4 hypernuclei

  6. 4He binding energy calculation including full tensor-force effects

    Science.gov (United States)

    Fonseca, A. C.

    1989-09-01

    The four-body equations of Alt, Grassberger, and Sandhas are solved in the version where the (2)+(2) subamplitudes are treated exactly by convolution, using one-term separable Yamaguchy nucleon-nucleon potentials in the 1S0 and 3S1-3D1 channels. The resulting jp=1/2+ and (3/2+ three-body subamplitudes are represented in a separable form using the energy-dependent pole expansion. Converged bound-state results are calculated for the first time using the full interaction, and are compared with those obtained from a simplified treatment of the tensor force. The Tjon line that correlates three-nucleon and four-nucleon binding energies is shown using different nucleon-nucleon potentials. In all calculations the Coulomb force has been neglected.

  7. Calculation of energy costs of composite biomass stirring at biogas stations

    Science.gov (United States)

    Suslov, D. Yu; Temnikov, D. O.

    2018-03-01

    The paper is devoted to the study of the equipment to produce biogas fuel from organic wastes. The bioreactor equipped with a combined stirring system ensuring mechanical and bubbling stirring is designed. The method of energy cost calculation of the combined stirring system with original design is suggested. The received expressions were used in the calculation of the stirring system installed in the 10 m3 bioreactor: power consumed by the mixer during the start-up period made Nz =9.03 kW, operating power of the mixer made NE =1.406 kW, compressor power for bubbling stirring made NC =18.5 kW. Taking into account the operating mode of single elements of the stirring system, the energy cost made 4.38% of the total energy received by the biogas station.

  8. Learning Approach on the Ground State Energy Calculation of Helium Atom

    International Nuclear Information System (INIS)

    Shah, Syed Naseem Hussain

    2010-01-01

    This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function.The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.

  9. OptaDOS - a new tool for EELS calculations

    Science.gov (United States)

    Nicholls, R. J.; Morris, A. J.; Pickard, C. J.; Yates, J. R.

    2012-07-01

    Many modern (Scanning) Transmission Electron Microscopes ((S)TEMs) are equipped with an energy loss spectrometer. The Electron Energy Loss (EEL) spectra collected provide an experimental method of probing the bonding within a material. With the extra addition of monochromators, the energy resolution obtainable means that even more information is revealed within the fine structure of the spectra. Interpreting the fine structure can often be aided by simulation. Density-functional theory (DFT) is one method of simulating EEL spectra. DFT allows us to simulate DOS and EEL spectra from different structures. This comparison between simulation and experiment enables us to explore how changes in the spectrum are related to changes within the sample. CASTEP is a pseudopotential DFT code which can simulate both low-loss and core-loss EEL spectra. Recent developments have resulted in a separate analysis tool, OptaDOS. This package computes various spectral properties including DOS, projected DOS, joint DOS, core-loss and low-loss EEL spectra and optical spectra. One of the important aspects of the code is the way in which the DOS is calculated. This is done via linear extrapolation or adaptive smearing, methods which are not currently available within CASTEP (or indeed any other code) and which allow detailed analysis of spectral properties. This paper summarises these developments and what they mean for the interpretation of EEL spectra.

  10. Towards accurate free energy calculations in ligand protein-binding studies.

    Science.gov (United States)

    Steinbrecher, Thomas; Labahn, Andreas

    2010-01-01

    Cells contain a multitude of different chemical reaction paths running simultaneously and quite independently next to each other. This amazing feat is enabled by molecular recognition, the ability of biomolecules to form stable and specific complexes with each other and with their substrates. A better understanding of this process, i.e. of the kinetics, structures and thermodynamic properties of biomolecule binding, would be invaluable in the study of biological systems. In addition, as the mode of action of many pharmaceuticals is based upon their inhibition or activation of biomolecule targets, predictive models of small molecule receptor binding are very helpful tools in rational drug design. Since the goal here is normally to design a new compound with a high inhibition strength, one of the most important thermodynamic properties is the binding free energy DeltaG(0). The prediction of binding constants has always been one of the major goals in the field of computational chemistry, because the ability to reliably assess a hypothetical compound's binding properties without having to synthesize it first would save a tremendous amount of work. The different approaches to this question range from fast and simple empirical descriptor methods to elaborate simulation protocols aimed at putting the computation of free energies onto a solid foundation of statistical thermodynamics. While the later methods are still not suited for the screenings of thousands of compounds that are routinely performed in computational drug design studies, they are increasingly put to use for the detailed study of protein ligand interactions. This review will focus on molecular mechanics force field based free energy calculations and their application to the study of protein ligand interactions. After a brief overview of other popular methods for the calculation of free energies, we will describe recent advances in methodology and a variety of exemplary studies of molecular dynamics

  11. Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations

    Science.gov (United States)

    Lapelosa, Mauro; Gallicchio, Emilio; Levy, Ronald M.

    2011-01-01

    The Binding Energy Distribution Analysis Method (BEDAM) is employed to compute the standard binding free energies of a series of ligands to a FK506 binding protein (FKBP12) with implicit solvation. Binding free energy estimates are in reasonably good agreement with experimental affinities. The conformations of the complexes identified by the simulations are in good agreement with crystallographic data, which was not used to restrain ligand orientations. The BEDAM method is based on λ -hopping Hamiltonian parallel Replica Exchange (HREM) molecular dynamics conformational sampling, the OPLS-AA/AGBNP2 effective potential, and multi-state free energy estimators (MBAR). Achieving converged and accurate results depends on all of these elements of the calculation. Convergence of the binding free energy is tied to the level of convergence of binding energy distributions at critical intermediate states where bound and unbound states are at equilibrium, and where the rate of binding/unbinding conformational transitions is maximal. This finding mirrors similar observations in the context of order/disorder transitions as for example in protein folding. Insights concerning the physical mechanism of ligand binding and unbinding are obtained. Convergence for the largest FK506 ligand is achieved only after imposing strict conformational restraints, which however require accurate prior structural knowledge of the structure of the complex. The analytical AGBNP2 model is found to underestimate the magnitude of the hydrophobic driving force towards binding in these systems characterized by loosely packed protein-ligand binding interfaces. Rescoring of the binding energies using a numerical surface area model corrects this deficiency. This study illustrates the complex interplay between energy models, exploration of conformational space, and free energy estimators needed to obtain robust estimates from binding free energy calculations. PMID:22368530

  12. Integrated simulation of ELM energy loss determined by pedestal MHD and SOL transport

    International Nuclear Information System (INIS)

    Hayashi, N.; Takizuka, T.; Ozeki, T.; Aiba, N.; Oyama, N.

    2007-01-01

    An integrated simulation code TOPICS-IB based on a transport code with a stability code for the peeling-ballooning modes and a scrape-off-layer (SOL) model has been developed to clarify self-consistent effects of edge localized modes (ELMs) and the SOL on the plasma performance. Experimentally observed collisionality dependence of the ELM energy loss is found to be caused by both the edge bootstrap current and the SOL transport. The bootstrap current decreases with an increase in collisionality and intensifies the magnetic shear at the pedestal region. The increase in the magnetic shear reduces the width of eigenfunctions of unstable modes, which results in the reduction of both the area of the ELM enhanced transport and the ELM enhanced transport near the separatrix. On the other hand, when an ELM crash occurs, the energy flows into the SOL and the SOL temperature rapidly increases. The increase in the SOL temperature lowers the ELM energy loss due to the flattening of the radial edge gradient. The parallel electron heat conduction determines how the SOL temperature increases. For higher collisionality, the conduction becomes lower and the SOL electron temperature increases more. By the above two mechanisms, the ELM energy loss decreases with increasing collisionality

  13. A calculation of Zsub(eff) for low-energy positron-hydrogen-molecule scattering

    International Nuclear Information System (INIS)

    Armour, E.A.G.; Baker, D.J.

    1985-01-01

    The value of Zsub(eff), the effective number of electrons per molecule available to the positron for annihilation, is calculated for low-energy positron-hydrogen-molecule scattering using the scattering wavefunctions obtained in recent detailed ab initio calculations. The results are higher than those obtained in previous calculations but much lower than the experimental value. (author)

  14. Calculating Free Energies Using Scaled-Force Molecular Dynamics Algorithm

    Science.gov (United States)

    Darve, Eric; Wilson, Micahel A.; Pohorille, Andrew

    2000-01-01

    One common objective of molecular simulations in chemistry and biology is to calculate the free energy difference between different states of the system of interest. Examples of problems that have such an objective are calculations of receptor-ligand or protein-drug interactions, associations of molecules in response to hydrophobic, and electrostatic interactions or partition of molecules between immiscible liquids. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), 'native' state. Perhaps the best example of such a problem is folding of proteins or short RNA molecules. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to 'quasi non-ergodicity', whereby a part of phase space is inaccessible on timescales of the simulation. A host of strategies has been developed to improve efficiency of sampling the phase space. For example, some Monte Carlo techniques involve large steps which move the system between low-energy regions in phase space without the need for sampling the configurations corresponding to energy barriers (J-walking). Most strategies, however, rely on modifying probabilities of sampling low and high-energy regions in phase space such that transitions between states of interest are encouraged. Perhaps the simplest implementation of this strategy is to increase the temperature of the system. This approach was successfully used to identify denaturation pathways in several proteins, but it is clearly not applicable to protein folding. It is also not a successful method for determining free energy differences. Finally, the approach is likely to fail for systems with co-existing phases, such as water-membrane systems, because it may lead to spontaneous

  15. Nonequilibrium electron energy-loss kinetics in metal clusters

    CERN Document Server

    Guillon, C; Fatti, N D; Vallee, F

    2003-01-01

    Ultrafast energy exchanges of a non-Fermi electron gas with the lattice are investigated in silver clusters with sizes ranging from 4 to 26 nm using a femtosecond pump-probe technique. The results yield evidence for a cluster-size-dependent slowing down of the short-time energy losses of the electron gas when it is strongly athermal. A constant rate is eventually reached after a few hundred femtoseconds, consistent with the electron gas internal thermalization kinetics, this behaviour reflecting evolution from an individual to a collective electron-lattice type of coupling. The timescale of this transient regime is reduced in small nanoparticles, in agreement with speeding up of the electron-electron interactions with size reduction. The experimental results are in quantitative agreement with numerical simulations of the electron kinetics.

  16. The role of energy losses in photosynthetic light harvesting

    Science.gov (United States)

    Krüger, T. P. J.; van Grondelle, R.

    2017-07-01

    Photosynthesis operates at the bottom of the food chain to convert the energy of light into carbohydrates at a remarkable global rate of about 130 TW. Nonetheless, the overall photosynthetic process has a conversion efficiency of a few percent at best, significantly less than bottom-up photovoltaic cells. The primary photosynthetic steps, consisting of light harvesting and charge separation, are often presented as having near-unity quantum efficiency but this holds only true under ideal conditions. In this review, we discuss the importance of energy loss mechanisms to establish robustness in photosynthetic light harvesting. Thermal energy dissipation of light-harvesting complexes (LHCs) in different environments is investigated and the relationships and contrasts between concentration quenching of high pigment concentrations, photoprotection (non-photochemical quenching), quenching due to protein aggregation, and fluorescence blinking are discussed. The role of charge-transfer states in light harvesting and energy dissipation is highlighted and the importance of controlled protein structural disorder to switch the light-harvesting antennae between effective light harvesters and efficient energy quenchers is underscored. The main LHC of plants, LHCII, is used as a prime example.

  17. Monte Carlo calculation of the energy deposited in the KASCADE GRANDE detectors

    International Nuclear Information System (INIS)

    Mihai, Constantin

    2004-01-01

    The energy deposited by protons, electrons and positrons in the KASCADE GRANDE detectors is calculated with a simple and fast Monte Carlo method. The KASCADE GRANDE experiment (Forschungszentrum Karlsruhe, Germany), based on an array of plastic scintillation detectors, has the aim to study the energy spectrum of the primary cosmic rays around and above the 'knee' region of the spectrum. The reconstruction of the primary spectrum is achieved by comparing the data collected by the detectors with simulations of the development of the extensive air shower initiated by the primary particle combined with detailed simulations of the detector response. The simulation of the air shower development is carried out with the CORSIKA Monte Carlo code. The output file produced by CORSIKA is further processed with a program that estimates the energy deposited in the detectors by the particles of the shower. The standard method to calculate the energy deposit in the detectors is based on the Geant package from the CERN library. A new method that calculates the energy deposit by fitting the Geant based distributions with simpler functions is proposed in this work. In comparison with the method based on the Geant package this method is substantially faster. The time saving is important because the number of particles involved is large. (author)

  18. Calculation of abort thresholds for the Beam Loss Monitoring System of the Large Hadron Collider at CERN

    CERN Document Server

    Nemcic, Martin; Dehning, Bernd

    The Beam Loss Monitoring (BLM) System is one of the most critical machine protection systems for the Large Hadron Collider (LHC) at the European Organization for Nuclear Research (CERN), Switzerland. Its main purpose is to protect the superconducting magnets from quenches and other equipment from damage by requesting a beam abort when the measured losses exceed any of the predefined threshold levels. The system consist of circa 4000 ionization chambers which are installed around the 27 kilometres ring (LHC). This study aims to choose a technical platform and produce a system that addresses all of the limitations with the current system that is used for the calculation of the LHC BLM abort threshold values. To achieve this, a comparison and benchmarking of the Java and .NET technical platforms is performed in order to establish the most suitable solution. To establish which technical platform is a successful replacement of the current abort threshold calculator, comparable prototype systems in Java and .NET we...

  19. First calculation of the deuteron binding energy

    International Nuclear Information System (INIS)

    Schaegger, B.

    2012-01-01

    No universal constant characterizing the nuclear force has yet been found as for gravity and electromagnetism. The neutron is globally neutral with a zero net charge. The charges contained in a neutron may be separated by the electric field of a nearby proton and therefore being attracted by electrostatic induction in the same way as a rubbed plastic pen attracts small pieces of paper. There is also a magnetic force that may repel the nucleons like magnets in the proper relative orientation. In the deuteron, the heavy hydrogen nucleus, the induced electrostatic attraction is equilibrated by the magnetic repulsion between the opposite and colinear moments of the nucleons. Equilibrium is calculated by minimizing the electromagnetic interaction potential, giving a binding energy of 1.6 MeV, not much lower than the experimental value, 2.2 MeV. No fitting parameter is used: it is a true ab initio calculation

  20. Influence of simulation assumptions and input parameters on energy balance calculations of residential buildings

    International Nuclear Information System (INIS)

    Dodoo, Ambrose; Tettey, Uniben Yao Ayikoe; Gustavsson, Leif

    2017-01-01

    In this study, we modelled the influence of different simulation assumptions on energy balances of two variants of a residential building, comprising the building in its existing state and with energy-efficient improvements. We explored how selected parameter combinations and variations affect the energy balances of the building configurations. The selected parameters encompass outdoor microclimate, building thermal envelope and household electrical equipment including technical installations. Our modelling takes into account hourly as well as seasonal profiles of different internal heat gains. The results suggest that the impact of parameter interactions on calculated space heating of buildings is somewhat small and relatively more noticeable for an energy-efficient building in contrast to a conventional building. We find that the influence of parameters combinations is more apparent as more individual parameters are varied. The simulations show that a building's calculated space heating demand is significantly influenced by how heat gains from electrical equipment are modelled. For the analyzed building versions, calculated final energy for space heating differs by 9–14 kWh/m"2 depending on the assumed energy efficiency level for electrical equipment. The influence of electrical equipment on calculated final space heating is proportionally more significant for an energy-efficient building compared to a conventional building. This study shows the influence of different simulation assumptions and parameter combinations when varied simultaneously. - Highlights: • Energy balances are modelled for conventional and efficient variants of a building. • Influence of assumptions and parameter combinations and variations are explored. • Parameter interactions influence is apparent as more single parameters are varied. • Calculated space heating demand is notably affected by how heat gains are modelled.

  1. Bipolar energy-loss measurements on cryostable, low-loss conductors

    Energy Technology Data Exchange (ETDEWEB)

    Wollan, J.J.

    1981-01-01

    Losses have been measured on a prototype conductor for the 20 MJ coil for conditions which simulate closely the actual coil field sweep. The data on the prototype II conductor indicates coil losses which exceed the coil specification. The application of certain correction factors reduces the projected losses within the specification for a 2 s reversal but not for a 1 s reversal. Verification of these corrections await measurements on the actual strand and completion of coil construction and testing.

  2. Investigation of the energy loss and the charge state of high energy heavy ions in a hydrogen plasma

    International Nuclear Information System (INIS)

    Dietrich, K.G.

    1991-07-01

    For heavy ions with energy of 1.4 to 5.9 MeV/u the energy loss and charge state after transmission through a totally ionized hydrogen plasma are investigated. Plasma target was a Z-pinch device incorporated in the beam optics of the accelerator by a pumping system. In the 20 cm long pinch hydrogen plasmas with densities up to 1.5x10 19 cm -3 and temperatures above 5 eV are produced, with ionization efficiency higher than 99%. The ions pass the plasma on the symmetry axis of the plasma column through small apertures in the electrodes. The energy loss was measured by time-of-flight method, the plasma density by interferometry along the pinch axis. For the first time the ion charge after transmission through the plasma has been determined by a charge spectrometer being a combination of a dipole magnet and a position sensitive detector with high time resolution. A growth of the average charge of heavy ions in plasma higher than the equilibrium charge in cold gas was discovered, caused by a reduction of electron capture by fast heavy ions in ionized matter. The electron loss rates in plasma and cold gas are equal. (orig./AH) [de

  3. Graphical Calculation of Estimated Energy Expenditure in Burn Patients.

    Science.gov (United States)

    Egro, Francesco M; Manders, Ernest C; Manders, Ernest K

    2018-03-01

    Historically, estimated energy expenditure (EEE) has been related to the percent of body surface area burned. Subsequent evaluations of these estimates have indicated that the earlier formulas may overestimate the amount of caloric support necessary for burn-injured patients. Ireton-Jones et al derived 2 equations for determining the EEE required to support burn patients, 1 for ventilator-dependent patients and 1 for spontaneously breathing patients. Evidence has proved their reliability, but they remain challenging to apply in a clinical setting given the difficult and cumbersome mathematics involved. This study aims to introduce a graphical calculation of EEE in burn patients that can be easily used in the clinical setting. The multivariant linear regression analysis from Ireton-Jones et al yielded equations that were rearranged into the form of a simple linear equation of the type y = mx + b. By choosing an energy expenditure and the age of the subject, the weight was calculated. The endpoints were then calculated, and a graph was mapped by means of Adobe FrameMaker. A graphical representation of Ireton-Jones et al's equations was obtained by plotting the weight (kg) on the y axis, the age (years) on the x axis, and a series of parallel lines representing the EEE in burn patients. The EEE has been displayed graphically on a grid to allow rapid determination of the EEE needed for a given patient of a designated weight and age. Two graphs were plotted: 1 for ventilator-dependent patients and 1 for spontaneously breathing patients. Correction factors for sex, the presence of additional trauma, and obesity are indicated on the graphical calculators. We propose a graphical tool to calculate caloric requirements in a fast, easy, and portable manner.

  4. User guide – COE Calculation Tool for Wave Energy Converters

    DEFF Research Database (Denmark)

    Chozas, Julia Fernandez; Kofoed, Jens Peter; Jensen, Niels Ejner Helstrup

    Aalborg University together with Energinet.dk and Julia F. Chozas Consulting Engineer, have released a freely available online spreadsheet to evaluate the Levelised Cost of Energy (LCOE) for wave energy projects. The open-access tool calculates the LCOE based on the power production of a Wave...... Energy Converter (WEC) at a particular location. Production data may derive from laboratory testing, numerical modelling or from sea trials. The tool has been developed as a transparent and simple model that evaluates WEC’s economic feasibility in a range of locations, while scaling WEC’s features...

  5. Acceleration and Energy Loss in N=4 SYM

    OpenAIRE

    Chernicoff, Mariano; Guijosa, Alberto

    2009-01-01

    We give a brief overview of the results obtained in arXiv:0803.3070, concerning the rate of energy loss of an accelerating quark in strongly-coupled N=4 super-Yang-Mills, both at zero and finite temperature. For phenomenological purposes, our main result is that, when a quark is created within the plasma together with its corresponding antiquark, the quark starts feeling the plasma only after the q-\\bar{q} separation becomes larger than the (v-dependent) screening length, and from this point ...

  6. Sustainable manufacturing by calculating the energy demand during turning of AISI 1045 steel

    Science.gov (United States)

    Nur, R.; Nasrullah, B.; Suyuti, M. A.; Apollo

    2018-01-01

    Sustainable development will become important issues for many fields, including production, industry, and manufacturing. In order to achieve sustainable development, industry should be able to perform of sustainable production processes and environmentally friendly. Therefore, there is need to minimize the energy demand in the machining process. This paper presents a calculation method of energy consumption in the machining process, especially turning process which calculated by summing the number of energy consumption, such as the electric energy consumed during the machining preparation, the electrical energy during the cutting processes, and the electrical energy to produce a cutting tool. A case study was performed on dry turning of mild carbon steel using coated carbide. This approach can be used to determine the total amount of electrical energy consumed in the specific machining process. It concluded that the energy consumption will be an increase for using the high cutting speed as well as for the feed rate was increased.

  7. Approximate calculation of electronic energy levels of axially symmetric quantum dot and quantum ring by using energy dependent effective mass

    International Nuclear Information System (INIS)

    Yu-Min, Liu; Zhong-Yuan, Yu; Xiao-Min, Ren

    2009-01-01

    Calculations of electronic structures about the semiconductor quantum dot and the semiconductor quantum ring are presented in this paper. To reduce the calculation costs, for the quantum dot and the quantum ring, their simplified axially symmetric shapes are utilized in our analysis. The energy dependent effective mass is taken into account in solving the Schrödinger equations in the single band effective mass approximation. The calculated results show that the energy dependent effective mass should be considered only for relatively small volume quantum dots or small quantum rings. For large size quantum materials, both the energy dependent effective mass and the parabolic effective mass can give the same results. The energy states and the effective masses of the quantum dot and the quantum ring as a function of geometric parameters are also discussed in detail. (general)

  8. Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities.

    Science.gov (United States)

    Dolenc, Jožica; Riniker, Sereina; Gaspari, Roberto; Daura, Xavier; van Gunsteren, Wilfred F

    2011-08-01

    Docking algorithms for computer-aided drug discovery and design often ignore or restrain the flexibility of the receptor, which may lead to a loss of accuracy of the relative free enthalpies of binding. In order to evaluate the contribution of receptor flexibility to relative binding free enthalpies, two host-guest systems have been examined: inclusion complexes of α-cyclodextrin (αCD) with 1-chlorobenzene (ClBn), 1-bromobenzene (BrBn) and toluene (MeBn), and complexes of DNA with the minor-groove binding ligands netropsin (Net) and distamycin (Dist). Molecular dynamics simulations and free energy calculations reveal that restraining of the flexibility of the receptor can have a significant influence on the estimated relative ligand-receptor binding affinities as well as on the predicted structures of the biomolecular complexes. The influence is particularly pronounced in the case of flexible receptors such as DNA, where a 50% contribution of DNA flexibility towards the relative ligand-DNA binding affinities is observed. The differences in the free enthalpy of binding do not arise only from the changes in ligand-DNA interactions but also from changes in ligand-solvent interactions as well as from the loss of DNA configurational entropy upon restraining.

  9. Evaluation of the carotid artery stenosis based on minimization of mechanical energy loss of the blood flow.

    Science.gov (United States)

    Sia, Sheau Fung; Zhao, Xihai; Li, Rui; Zhang, Yu; Chong, Winston; He, Le; Chen, Yu

    2016-11-01

    Internal carotid artery stenosis requires an accurate risk assessment for the prevention of stroke. Although the internal carotid artery area stenosis ratio at the common carotid artery bifurcation can be used as one of the diagnostic methods of internal carotid artery stenosis, the accuracy of results would still depend on the measurement techniques. The purpose of this study is to propose a novel method to estimate the effect of internal carotid artery stenosis on the blood flow based on the concept of minimization of energy loss. Eight internal carotid arteries from different medical centers were diagnosed as stenosed internal carotid arteries, as plaques were found at different locations on the vessel. A computational fluid dynamics solver was developed based on an open-source code (OpenFOAM) to test the flow ratio and energy loss of those stenosed internal carotid arteries. For comparison, a healthy internal carotid artery and an idealized internal carotid artery model have also been tested and compared with stenosed internal carotid artery in terms of flow ratio and energy loss. We found that at a given common carotid artery bifurcation, there must be a certain flow distribution in the internal carotid artery and external carotid artery, for which the total energy loss at the bifurcation is at a minimum; for a given common carotid artery flow rate, an irregular shaped plaque at the bifurcation constantly resulted in a large value of minimization of energy loss. Thus, minimization of energy loss can be used as an indicator for the estimation of internal carotid artery stenosis.

  10. Qualification of a Method to Calculate the Irrecoverable Pressure Loss in High Reynolds Number Piping Systems

    Energy Technology Data Exchange (ETDEWEB)

    Sigg, K. C.; Coffield, R. D.

    2002-09-01

    High Reynolds number test data has recently been reported for both single and multiple piping elbow design configurations at earlier ASME Fluid Engineering Division conferences. The data of these studies ranged up to a Reynolds number of 42 x 10[sup]6 which is significantly greater than that used to establish design correlations before the data was available. Many of the accepted design correlations, based on the lower Reynolds number data, date back as much as fifty years. The new data shows that these earlier correlations are extremely conservative for high Reynolds number applications. Based on the recent high Reynolds number information a new recommended method has been developed for calculating irrecoverable pressure loses in piping systems for design considerations such as establishing pump sizing requirements. This paper describes the recommended design approach and additional testing that has been performed as part of the qualification of the method. This qualification testing determined the irrecoverable pressure loss of a piping configuration that would typify a limiting piping section in a complicated piping network, i.e., multiple, tightly coupled, out-of-plane elbows in series under high Reynolds number flow conditions. The overall pressure loss measurements were then compared to predictions, which used the new methodology to assure that conservative estimates for the pressure loss (of the type used for pump sizing) were obtained. The recommended design methodology, the qualification testing and the comparison between the predictions and the test data are presented. A major conclusion of this study is that the recommended method for calculating irrecoverable pressure loss in piping systems is conservative yet significantly lower than predicted by early design correlations that were based on the extrapolation of low Reynolds number test data.

  11. Development of nuclear models for higher energy calculations

    International Nuclear Information System (INIS)

    Bozoian, M.; Siciliano, E.R.; Smith, R.D.

    1988-01-01

    Two nuclear models for higher energy calculations have been developed in the regions of high and low energy transfer, respectively. In the former, a relativistic hybrid-type preequilibrium model is compared with data ranging from 60 to 800 MeV. Also, the GNASH exciton preequilibrium-model code with higher energy improvements is compared with data at 200 and 318 MeV. In the region of low energy transfer, nucleon-nucleus scattering is predominately a direct reaction involving quasi-elastic collisions with one or more target nucleons. We discuss various aspects of quasi-elastic scattering which are important in understanding features of cross sections and spin observables. These include (1) contributions from multi-step processes; (2) damping of the continuum response from 2p-2h excitations; (3) the ''optimal'' choice of frame in which to evaluate the nucleon-nucleon amplitudes; and (4) the effect of optical and spin-orbit distortions, which are included in a model based on the RPA the DWIA and the eikonal approximation. 33 refs., 15 figs

  12. Flavors in the Soup: An Overview of Heavy-Flavored Jet Energy Loss at CMS

    CERN Document Server

    Jung, Kurt

    2016-01-01

    Kurt E. Jung PhD, Purdue University, May 2016. Flavors in the Soup: An Overviewof Heavy-Flavored Jet Energy Loss at CMS. Major Professor: Wei Xie.The energy loss of jets in heavy-ion collisions is expected to depend on the flavorof the fragmenting parton. Thus, measurements of jet quenching as a function offlavor place powerful constraints on the thermodynamical and transport propertiesof the hot and dense medium. Measurements of the nuclear modification factorsof the heavy flavor tagged jets from charm and bottom quarks in both PbPb andpPb collisions can quantify such energy loss e↵ects. Specifically, pPb measurementsprovide crucial insights into the behavior of the cold nuclear matter e↵ect, whichis required to fully understand the hot and dense medium e↵ects on jets in PbPbcollisions. This dissertation presents the energy modification of b-jets in PbPb atppsN N = 2.76 TeV and pPb collisions at sN N = 5.02 TeV, along with the first everpmeasurements of charm jets in pPb collisions at sN N = 5.0...

  13. Studies of the ionization energy loss in the DELPHI TPC and the identification of quark and gluon jets in hadronic events at LEP

    International Nuclear Information System (INIS)

    Baerring, O.

    1992-09-01

    In this thesis a fast and accurate method for the calculations of the energy loss spectrum is presented. The algorithm, which is based on the Laplace transform method, differs from earlier approaches in that it makes use of fast fourier transform routines instead of numerical integration or series expansion. We present also a new type of jet classification, based on artificial neural network technique. The classification is proved to be insensitive to the jet energy, i.e. it exploits only the fragmentation differences between quarks and gluons. We apply this method in a measurement of the triple-gluon vertex in four-jet events at LEP. (au) (33 refs.)

  14. An Overview of the Thermal Calculation and the Cooling Technology for Active Magnetic Bearing

    Science.gov (United States)

    Zhang, Li; Yu, Meiyun; Luo, Yanyan; Liu, Jun; Ren, Yafeng

    2017-10-01

    The cooling process of AMB is that the energy loss is sent out to the outside world when the system is operating. The energy loss transfers to the surrounding medium in the form of heat, which leads to raise the temperature of system components and influences the performance of the system. So it is necessary to study the internal loss of the magnetic bearing system and thermal calculation method. Three kinds of thermal calculation methods are compared, which is important for the design and calculation of cooling. At the same time, the cooling way, the cooling method, and the cooling system is summarized on the basis of cooling technology of active magnetic bearing, and the design method of the cooling system is studied. But for the active magnetic bearing system, when designing the cooling system, heat dissipation of the motor can not be ignored. It is important not only for the performance of the active magnetic bearing system and stable operation, and but also for the improvement of the cooling technology.

  15. Surface plasmon modes of a single silver nanorod: An electron energy loss study

    DEFF Research Database (Denmark)

    Nicoletti, Olivia; Wubs, Martijn; Mortensen, N. Asger

    2011-01-01

    We present an electron energy loss study using energy filtered TEM of spatially resolved surface plasmon excitations on a silver nanorod of aspect ratio 14.2 resting on a 30 nm thick silicon nitride membrane. Our results show that the excitation is quantized as resonant modes whose intensity maxima...

  16. Free-Energy Calculations. A Mathematical Perspective

    Science.gov (United States)

    Pohorille, Andrzej

    2015-01-01

    conductance, defined as the ratio of ionic current through the channel to applied voltage, can be calculated in MD simulations by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. If the current is small, a voltage significantly higher than the experimental one needs to be applied to collect sufficient statistics of ion crossing events. Then, the calculated conductance has to be extrapolated to the experimental voltage using procedures of unknown accuracy. Instead, we propose an alternative approach that applies if ion transport through channels can be described with sufficient accuracy by the one-dimensional diffusion equation in the potential given by the free energy profile and applied voltage. Then, it is possible to test the assumptions of the equation, recover the full voltage/current dependence, determine the reliability of the calculated conductance and reconstruct the underlying (equilibrium) free energy profile, all from MD simulations at a single voltage. We will present the underlying theory, model calculations that test this theory and simulations on ion conductance through a channel that has been extensively studied experimentally. To our knowledge this is the first case in which the complete, experimentally measured dependence of the current on applied voltage has been reconstructed from MD simulations.

  17. Energy loss of gluons, baryons and k-quarks in an Script N = 4 SYM plasma

    Science.gov (United States)

    Chernicoff, Mariano; Güijosa, Alberto

    2007-02-01

    We consider different types of external color sources that move through a strongly-coupled thermal Script N = 4 super-Yang-Mills plasma, and calculate, via the AdS/CFT correspondence, the dissipative force (or equivalently, the rate of energy loss) they experience. A bound state of k quarks in the totally antisymmetric representation is found to feel a force with a nontrivial k-dependence. Our result for k=1 (or k = N-1) agrees at large N with the one obtained recently by Herzog et al. and Gubser, but contains in addition an infinite series of 1/N corrections. The baryon (k = N) is seen to experience no drag. Finally, a heavy gluon is found to be subject to a force which at large N is twice as large as the one experienced by a heavy quark, in accordance with gauge theory expectations.

  18. Probing Plasmonic Nanostructures with Electron Energy - Loss Spectroscopy

    DEFF Research Database (Denmark)

    Raza, Søren

    for nonlocal response. The experimental work comprises the use of electron energy-loss spectroscopy (EELS) to excite and study both localized and propagating surface plasmons in metal structures. Following a short introduction, we present the theoretical foundation to describe nonlocal response in Maxwell......, dimer with nanometer-sized gaps, core-shell nanowire with ultrathin metal shell, and a thin metal film. In all cases we compare the nonlocal models with the local-response approximation. Below the plasma frequency, we find that the distance between the induced positive and negative surface charges...

  19. Energy losses (gains) of massive coloured particles in stochastic colour medium

    International Nuclear Information System (INIS)

    Leonidov, A.; Rossijskaya Akademiya Nauk, Moscow

    1995-01-01

    The propagation of massive coloured particles in stochastic background chromoelectric field is studied using the semiclassical equations of motion. Depending on the nature of the stochastic background we obtain the formulae for the energy losses of heavy coloured projectile in nonperturbative hadronic medium and for the energy gains in the stochastic field present, e.g., in the turbulent plasma. The result appears to be significantly dependent on the form of the correlation function of stochastic external field. (orig.)

  20. On calculations of the ground state energy in quantum mechanics

    International Nuclear Information System (INIS)

    Efimov, G.V.

    1991-02-01

    In nonrelativistic quantum mechanics the Wick-ordering method called the oscillator representation suggested to calculate the ground-state energy for a wide class of potentials allowing the existence of a bound state. The following examples are considered: the orbital excitations of the ground-state in the Coulomb plus linear potential, the Schroedinger equation with a ''relativistic'' kinetic energy √p 2 +m 2 , the Coulomb three-body problem. (author). 22 refs, 2 tabs