Organic semiconductor density of states controls the energy level alignment at electrode interfaces
Oehzelt, Martin; Koch, Norbert; Heimel, Georg
2014-01-01
Minimizing charge carrier injection barriers and extraction losses at interfaces between organic semiconductors and metallic electrodes is critical for optimizing the performance of organic (opto-) electronic devices. Here, we implement a detailed electrostatic model, capable of reproducing the alignment between the electrode Fermi energy and the transport states in the organic semiconductor both qualitatively and quantitatively. Covering the full phenomenological range of interfacial energy level alignment regimes within a single, consistent framework and continuously connecting the limiting cases described by previously proposed models allows us to resolve conflicting views in the literature. Our results highlight the density of states in the organic semiconductor as a key factor. Its shape and, in particular, the energy distribution of electronic states tailing into the fundamental gap is found to determine both the minimum value of practically achievable injection barriers as well as their spatial profile, ranging from abrupt interface dipoles to extended band-bending regions. PMID:24938867
Modelling energy level alignment at organic interfaces and density functional theory
DEFF Research Database (Denmark)
Flores, F.; Ortega, J.; Vazquez, Patricia
2009-01-01
A review of our theoretical understanding of the band alignment at organic interfaces is presented with particular emphasis on the metal/organic (MO) case. The unified IDIS (induced density of interface states) and the ICT (integer charge transfer) models are reviewed and shown to describe qualit...
Low energy level density and surface instabilities in heavy transition nuclei
International Nuclear Information System (INIS)
Wieclawik, W. de; Foucher, R.; Dionisio, J.S.; Vieu, C.; Hoglund, A.; Watzig, W.
1975-01-01
A statistical analysis of Au, Pt, Hg nuclear levels was performed with Ericson's method. The odd mass gold experimental number of levels distributions are compared to the theoretical distributions corresponding to vibrational (Alaga and Kisslinger-Sorensen) and rotational (Stephens, Meyer-ter-Vehn) models. The Alaga model gives the most complete description of 193 Au, 195 Au levels and fits the lowest part of Gilbert-Cameron high energy distributions (deduced from the statistical model and neutron capture data). The Ericson's method shows other interesting features of Pt and Hg isotopes (i.e. level density dependence on nuclear shape and pairing correlations, evidence for phase transitions). Consequently, this method is a useful tool for guiding experimental as well as theoretical investigations of transition nuclei [fr
Hybrid Density Functional Study of the Local Structures and Energy Levels of CaAl2O4:Ce3.
Lou, Bibo; Jing, Weiguo; Lou, Liren; Zhang, Yongfan; Yin, Min; Duan, Chang-Kui
2018-05-03
First-principles calculations were carried out for the electronic structures of Ce 3+ in calcium aluminate phosphors, CaAl 2 O 4 , and their effects on luminescence properties. Hybrid density functional approaches were used to overcome the well-known underestimation of band gaps of conventional density functional approaches and to calculate the energy levels of Ce 3+ ions more accurately. The obtained 4f-5d excitation and emission energies show good consistency with measured values. A detailed energy diagram of all three sites is obtained, which explains qualitatively all of the luminescent phenomena. With the results of energy levels calculated by combining the hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE06) and the constraint occupancy approach, we are able to construct a configurational coordinate diagram to analyze the processes of capture of a hole or an electron and luminescence. This approach can be applied for systematic high-throughput calculations in predicting Ce 3+ activated luminescent materials with a moderate computing requirement.
Impurity energy level in the Haldane gap
International Nuclear Information System (INIS)
Wang Wei; Lu Yu
1995-11-01
An impurity bond J' in a periodic 1D antiferromagnetic spin 1 chain with exchange J is considered. Using the numerical density matrix renormalization group method, we find an impurity energy level in the Haldane gap, corresponding to a bound state near the impurity bond. When J' J. The impurity level appears only when the deviation dev = (J'- J)/J' is greater than B c , which is close to 0.3 in our calculation. (author). 15 refs, 4 figs
Frontiers of controlling energy levels at interfaces
Koch, Norbert
The alignment of electron energy levels at interfaces between semiconductors, dielectrics, and electrodes determines the function and efficiency of all electronic and optoelectronic devices. Reliable guidelines for predicting the level alignment for a given material combination and methods to adjust the intrinsic energy landscape are needed to enable efficient engineering approaches. These are sufficiently understood for established electronic materials, e.g., Si, but for the increasing number of emerging materials, e.g., organic and 2D semiconductors, perovskites, this is work in progress. The intrinsic level alignment and the underlying mechanisms at interfaces between organic and inorganic semiconductors are discussed first. Next, methods to alter the level alignment are introduced, which all base on proper charge density rearrangement at a heterojunction. As interface modification agents we use molecular electron acceptors and donors, as well as molecular photochromic switches that add a dynamic aspect and allow device multifunctionality. For 2D semiconductors surface transfer doping with molecular acceptors/donors transpires as viable method to locally tune the Fermi-level position in the energy gap. The fundamental electronic properties of a prototypical 1D interface between intrinsic and p-doped 2D semiconductor regions are derived from local (scanning probe) and area-averaged (photoemission) spectroscopy experiments. Future research opportunities for attaining unsurpassed interface control through charge density management are discussed.
Atomic energy levels and Grotrian diagrams
Bashkin, Stanley
1975-01-01
Atomic Energy Levels and Grotrian Diagrams, Volume I: Hydrogen I - Phosphorus XV presents diagrams of various elements that show their energy level and electronic transitions. The book covers the first 15 elements according to their atomic number. The text will be of great use to researchers and practitioners of fields such as astrophysics that requires pictorial representation of the energy levels and electronic transitions of elements.
Temperature dependent energy levels of methylammonium lead iodide perovskite
Foley, Benjamin J.; Marlowe, Daniel L.; Sun, Keye; Saidi, Wissam A.; Scudiero, Louis; Gupta, Mool C.; Choi, Joshua J.
2015-06-01
Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.
Temperature dependent energy levels of methylammonium lead iodide perovskite
Energy Technology Data Exchange (ETDEWEB)
Foley, Benjamin J.; Marlowe, Daniel L.; Choi, Joshua J., E-mail: jjc6z@virginia.edu, E-mail: mgupta@virginia.edu, E-mail: scudiero@wsu.edu [Department of Chemical Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Sun, Keye; Gupta, Mool C., E-mail: jjc6z@virginia.edu, E-mail: mgupta@virginia.edu, E-mail: scudiero@wsu.edu [Department of Electrical and Computer Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Saidi, Wissam A. [Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261 (United States); Scudiero, Louis, E-mail: jjc6z@virginia.edu, E-mail: mgupta@virginia.edu, E-mail: scudiero@wsu.edu [Chemistry Department and Materials Science and Engineering Program, Washington State University, Pullman, Washington 99164 (United States)
2015-06-15
Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.
Energy Levels of Hydrogen and Deuterium
SRD 142 NIST Energy Levels of Hydrogen and Deuterium (Web, free access) This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.
On expectation values for nuclear energy levels
International Nuclear Information System (INIS)
De Wet, J.A.
1978-01-01
The nuclear model is built up by constructing measured states, including the ground state, from the vacuum state. All states are, however, not accessible from the ground state so that selection rules may be found which at the same time impose even more stringent conditions on the labelling of energy levels. These are the subject of this paper
Spectrum and energy levels of Y VI
International Nuclear Information System (INIS)
Persson, W.; Reader, J.
1986-01-01
The spectrum of the five-times-ionized yttrium atom (Y VI), excited in a sliding-spark discharge, was studied in the 160--2500 A-circle range. About 900 Y VI lines were classified as transitions between 101 odd and 69 even energy levels.The energy-level system established includes almost all levels of the 4s 2 4p 4 , 4s4p 5 , 4s 2 4p 3 4d, 5d, 5s, 6s, and 5p configurations and a number of levels of the 7s, 4f, and 4s4p 4 4d configurations. The observed level system has been theoretically interpreted by means of Hartree--Fock calculations and least-squares parametric fits. Strong configuration mixings are found between the 4s4p 5 and 4s 2 4p 3 4d configurations, between the 4s 2 4p 3 5p and 4s4p 4 4d configurations, and between the 4s 2 4p 3 4f and 4s4p 4 4d configurations. From the optimized energy-level values, a system of Ritz-type wavelength standards with accuracies varying from 0.0003 to 0.003 A-circle in the range 179--500 A-circle has been determined. The ionization energy as determined from 4s 2 4p 3 ns levels (n = 5-7) is 737 110 +- 200 cm/sup -1/ (91.390 +- 0.025 eV)
Energy level diagrams for black hole orbits
Levin, Janna
2009-12-01
A spinning black hole with a much smaller black hole companion forms a fundamental gravitational system, like a colossal classical analog to an atom. In an appealing if imperfect analogy with atomic physics, this gravitational atom can be understood through a discrete spectrum of periodic orbits. Exploiting a correspondence between the set of periodic orbits and the set of rational numbers, we are able to construct periodic tables of orbits and energy level diagrams of the accessible states around black holes. We also present a closed-form expression for the rational q, thereby quantifying zoom-whirl behavior in terms of spin, energy and angular momentum. The black hole atom is not just a theoretical construct, but corresponds to extant astrophysical systems detectable by future gravitational wave observatories.
Energy level diagrams for black hole orbits
International Nuclear Information System (INIS)
Levin, Janna
2009-01-01
A spinning black hole with a much smaller black hole companion forms a fundamental gravitational system, like a colossal classical analog to an atom. In an appealing if imperfect analogy with atomic physics, this gravitational atom can be understood through a discrete spectrum of periodic orbits. Exploiting a correspondence between the set of periodic orbits and the set of rational numbers, we are able to construct periodic tables of orbits and energy level diagrams of the accessible states around black holes. We also present a closed-form expression for the rational q, thereby quantifying zoom-whirl behavior in terms of spin, energy and angular momentum. The black hole atom is not just a theoretical construct, but corresponds to extant astrophysical systems detectable by future gravitational wave observatories.
International Nuclear Information System (INIS)
Malmskog, S.G.; Hoejeberg, M.; Berg, V.
1969-02-01
Gamma ray spectra in the decay of 185 Ta and 185m W have been studied with Ge (Li) detectors. The 185m W isomeric transition at 131.6 keV is shown to be of E3 multipolarity. A level scheme of 185 W is proposed with the following energy levels (energies in keV, spin and K quantum numbers in brackets): 0 (3/2 - 3/2), 23.5 (1/2 - 1/2), 65.9 (5/2 - 3/2), 93.5 (3/2 - 1/2) (uncertain), 173.9 (7/2 - 3/2), 188.1 (5/2 - 1/2), 197.5 (11/2 + 11/2) , 243.5 (7/2 - 7/2), and 390.8 (9/2 - 7/2)
Higher order corrections to energy levels of muonic atoms
International Nuclear Information System (INIS)
Rinker, G.A. Jr.; Steffen, R.M.
1975-08-01
In order to facilitate the analysis of muonic x-ray spectra, the results of numerical computations of all higher order quantum electrodynamical corrections to the energy levels of muonic atoms are presented in tabular and graphical form. These corrections include the vacuum polarization corrections caused by emission and reabsorption of virtual electron pairs to all orders, including ''double-bubble'' and ''cracked-egg'' diagrams. An estimate of the Delbruecke scattering-type correction is presented. The Lamb-shift (second- and fourth-order vertex) corrections have been calculated including the correction for the anomalous magnetic moment of the muon. The relativistic nuclear motion (or recoil) correction as well as the correction caused by the screening of the atomic electrons is presented in graphs. For the sake of completeness a graph of the nuclear polarization as computed on the basis of Chen's approach has been included. All calculations were made with a two-parameter Fermi distribution of the nuclear charge density. 7 figures, 23 references
Information Geometry, Inference Methods and Chaotic Energy Levels Statistics
Cafaro, Carlo
2008-01-01
In this Letter, we propose a novel information-geometric characterization of chaotic (integrable) energy level statistics of a quantum antiferromagnetic Ising spin chain in a tilted (transverse) external magnetic field. Finally, we conjecture our results might find some potential physical applications in quantum energy level statistics.
Energy level broadening effect on the equation of state of hot dense Al and Au plasma
International Nuclear Information System (INIS)
Hou Yong; Jin Fengtao; Yuan Jianmin
2007-01-01
In the hot dense matter regime, the isothermal equation of state (EOS) of Al and Au is calculated using an average-atom (AA) model in which the broadening of energy levels of atoms and ions are accounted for by using with a Gaussian distribution of the density of states. The distribution of bound electrons in the energy bands is determined by the continuum Fermi-Dirac distribution. With a self-consistent field average atoms scheme, it is shown that the energy-level broadening has a significant effect on the isothermal equation of state (EOS) of Al and Au in the hot dense matter regime. The jumps in the equation of state (EOS) induced by pressure ionization of the one-electron orbital with the increase in density, which often occur in the normal average-atom model and have been avoided by generally introducing the pseudo-shape resonance states, disappear naturally
Mean-field energy-level shifts and dielectric properties of strongly polarized Rydberg gases
Zhelyazkova, V.; Jirschik, R.; Hogan, S. D.
2016-01-01
Mean-field energy-level shifts arising as a result of strong electrostatic dipole interactions within dilute gases of polarized helium Rydberg atoms have been probed by microwave spectroscopy. The Rydberg states studied had principal quantum numbers n=70 and 72, and electric dipole moments of up to 14 050 D, and were prepared in pulsed supersonic beams at particle number densities on the order of 108 cm−3. Comparisons of the experimental data with the results of Monte Carlo calculations highl...
Comparing energy levels in isotropic and anisotropic potentials
Energy Technology Data Exchange (ETDEWEB)
Pikovski, Alexander, E-mail: alexander.pikovski@colorado.edu
2015-11-06
Qualitative information about the quantized energy levels of a system can be of great value. We study the relationship between the bound-state energies of an anisotropic potential and those of its spherical average. It is shown that the two ground-state energies satisfy an inequality, and there is a similar inequality for the first excited states. - Highlights: • Quantized energy levels in an arbitrary non-central potential are studied. • We derive inequalities between energies in a potential and its spherical average. • The results hold in three and two dimensions for any ground state and, with additional symmetry requirements for the first excited state.
Comparing energy levels in isotropic and anisotropic potentials
International Nuclear Information System (INIS)
Pikovski, Alexander
2015-01-01
Qualitative information about the quantized energy levels of a system can be of great value. We study the relationship between the bound-state energies of an anisotropic potential and those of its spherical average. It is shown that the two ground-state energies satisfy an inequality, and there is a similar inequality for the first excited states. - Highlights: • Quantized energy levels in an arbitrary non-central potential are studied. • We derive inequalities between energies in a potential and its spherical average. • The results hold in three and two dimensions for any ground state and, with additional symmetry requirements for the first excited state.
Electron Energy Level Statistics in Graphene Quantum Dots
De Raedt, H.; Katsnellson, M. I.; Katsnelson, M.I.
2008-01-01
Motivated by recent experimental observations of size quantization of electron energy levels in graphene quantum dots [7] we investigate the level statistics in the simplest tight-binding model for different dot shapes by computer simulation. The results are in a reasonable agreement with the
Parametric Statistics of Individual Energy Levels in Random Hamiltonians
Smolyarenko, I. E.; Simons, B. D.
2002-01-01
We establish a general framework to explore parametric statistics of individual energy levels in disordered and chaotic quantum systems of unitary symmetry. The method is applied to the calculation of the universal intra-level parametric velocity correlation function and the distribution of level shifts under the influence of an arbitrary external perturbation.
Energy level alignment at Co/AlOx/pentacene interfaces
Popinciuc, M.; Jonkman, H. T.; van Wees, B. J.
2007-01-01
X-ray and ultraviolet photoemission spectroscopy (XPS and UPS) experiments were performed in order to study the energy level alignment and electronic structure at Co/AlOx/pentacene interfaces as a function of the aluminum oxide (AlOx) tunnel barrier thickness and the oxidation state of Co. XPS was
Energy level alignment at interfaces in organic photovoltaic devices
International Nuclear Information System (INIS)
Opitz, Andreas; Frisch, Johannes; Schlesinger, Raphael; Wilke, Andreas; Koch, Norbert
2013-01-01
Highlights: ► Energy level alignment is crucial for organic solar cell efficiency. ► Photoelectron spectroscopy can reliably determine energy levels of organic material interfaces. ► Care must be taken to avoid even subtle sample damage. -- Abstract: The alignment of energy levels at interfaces in organic photovoltaic devices is crucial for their energy conversion efficiency. Photoelectron spectroscopy (PES) is a well-established and widely used technique for determining the electronic structure of materials; at the same time PES measurements of conjugated organic materials often pose significant challenges, such as obtaining sufficiently defined sample structures and radiation-induced damage of the organic layers. Here we report how these challenges can be tackled to unravel the energy levels at interfaces in organic photovoltaic devices, i.e., electrode/organic and organic/organic interfaces. The electronic structure across entire photovoltaic multilayer devices can thus be reconciled. Finally, general considerations for correlating the electronic structure and the photovoltaic performance of devices will be discussed
Fine-structure energy levels, oscillator strengths and lifetimes
Indian Academy of Sciences (India)
We have done relativistic calculations for the evaluation of energy levels, oscillator strengths, transition probabilities and lifetimes for Cr VIII ion. Use has been made of configuration interaction technique by including Briet–Pauli approximation. The energies of various levels from the ground state to excited levels of 3s3p6, ...
Degeneracy of energy levels of pseudo-Gaussian oscillators
International Nuclear Information System (INIS)
Iacob, Theodor-Felix; Iacob, Felix; Lute, Marina
2015-01-01
We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found
Dietary energy level for optimum productivity and carcass ...
African Journals Online (AJOL)
user
2013-08-05
Aug 5, 2013 ... optimum weights at dietary energy levels of 13.81, 13.23, 13.43 and ... Tadelle & Ogle (2000) reported that energy requirement of ..... The authors would like to acknowledge the National Research Foundation (NRF) and VLIR ...
Spin energy levels in axial symmetry: spin 4
Energy Technology Data Exchange (ETDEWEB)
de Biasi, R S; Portella, P D [Instituto Militar de Engenharia, Rio de Janeiro (Brazil). Secao de Engenharia e Ciencia dos Materiais
1979-01-01
The spin energy levels in axial symmetry are presented, in graphical and tabular form, for a spin 4. The levels are calculated for five different angles between the applied field and the symmetry axis 0/sup 0/, 30/sup 0/, 45/sup 0/, 60 and 90/sup 0/.
Spin energy levels in axial symmetry: spin 3/2
Energy Technology Data Exchange (ETDEWEB)
de Biasi, R S; Portella, P D [Instituto Militar de Engenharia, Rio de Janeiro (Brazil). Secao de Engenharia e Ciencia dos Materiais
1977-01-01
The spin energy levels in axial symmetry are presented, in graphical and tabular form, for a spin 3/2. The levels are calculated for five different angles between the applied field and the symmetry axis: 0/sup 0/, 30/sup 0/, 45/sup 0/, 60/sup 0/ and 90/sup 0/.
Energy level alignment symmetry at Co/pentacene/Co interfaces
Popinciuc, M.; Jonkman, H. T.; van Wees, B. J.
2006-01-01
We have employed x-ray and ultraviolet photoemission spectroscopies (XPS and UPS) to study the energy level alignment and electronic structure at the Co/pentacene/Co interfaces. In the case of pentacene deposition on Co we found an interfacial dipole of about 1.05 eV and a hole injection barrier of
Dietary energy level for optimum productivity and carcass ...
African Journals Online (AJOL)
A study was conducted to determine dietary energy levels for optimum productivity and carcass characteristics of indigenous Venda chickens raised in closed confinement. Four dietary treatments were considered in the first phase (1 to 7 weeks) on two hundred day-old unsexed indigenous Venda chicks indicated as EVS1, ...
Lamb shift of energy levels in quantum rings
International Nuclear Information System (INIS)
Kryuchkyan, G Yu; Kyriienko, O; Shelykh, I A
2015-01-01
We study the vacuum radiative corrections to energy levels of a confined electron in quantum rings. The calculations are provided for the Lamb shift of energy levels in a low-momentum region of virtual photons and for both one-dimensional and two-dimensional quantum rings. We show that contrary to the well known case of a hydrogen atom the value of the Lamb shift increases with the magnetic momentum quantum number m. We also investigate the dependence of the Lamb shift on magnetic flux piercing the ring and demonstrate a presence of magnetic-flux-dependent oscillations. For a one-dimensional ring the value of the shift strongly depends on the radius of the ring. It is small for semiconductor rings but can attain measurable quantities in natural organic ring-shape molecules, such as benzene, cycloalcanes and porphyrins. (paper)
How to Draw Energy Level Diagrams in Excitonic Solar Cells.
Zhu, X-Y
2014-07-03
Emerging photovoltaic devices based on molecular and nanomaterials are mostly excitonic in nature. The initial absorption of a photon in these materials creates an exciton that can subsequently dissociate in each material or at their interfaces to give charge carriers. Any attempt at mechanistic understanding of excitonic solar cells must start with drawing energy level diagrams. This seemingly elementary exercise, which is described in textbooks for inorganic solar cells, has turned out to be a difficult subject in the literature. The problem stems from conceptual confusion of single-particle energy with quasi-particle energy and the misleading practice of mixing the two on the same energy level diagram. Here, I discuss how to draw physically accurate energy diagrams in excitonic solar cells using only single-particle energies (ionization potentials and electron affinities) of both ground and optically excited states. I will briefly discuss current understanding on the electronic energy landscape responsible for efficient charge separation in excitonic solar cells.
Energy level alignment in Au/pentacene/PTCDA trilayer stacks
Sehati, P.; Braun, S.; Fahlman, M.
2013-01-01
Ultraviolet photoelectron spectroscopy is used to investigate the energy level alignment and molecular orientation at the interfaces in Au/pentacene/PTCDA trilayer stacks. We deduced a standing orientation for pentacene grown on Au while we conclude a flat lying geometry for PTCDA grown onto pentacene. We propose that the rough surface of polycrystalline Au induces the standing geometry in pentacene. It is further shown that in situ deposition of PTCDA on pentacene can influence the orientati...
Energy levels of germanium, Ge I through Ge XXXII
International Nuclear Information System (INIS)
Sugar, J.; Musgrove, A.
1993-01-01
Atomic energy levels of germanium have been compiled for all stages of ionization for which experimental data are available. No data have yet been published for Ge VIII through Ge XIII and Ge XXXII. Very accurate calculated values are compiled for Ge XXXI and XXXII. Experimental g-factors and leading percentages from calculated eigenvectors of levels are given. A value for the ionization energy, either experimental when available or theoretical, is included for the neutral atom and each ion. section
New energy levels of praseodymium with large angular momentum
Energy Technology Data Exchange (ETDEWEB)
Khan, Shamim; Siddiqui, Imran; Gamper, Bettina; Syed, Tanweer Iqbal; Guthoehrlein, Guenter H.; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)
2011-07-01
The electronic ground state configuration of praseodymium {sup 59}Pr{sub 141} is [Xe] 4f{sup 3}6s{sup 2}, with ground state level {sup 4}I{sub 9/2}. Our research is mainly devoted to find previously unknown energy levels by the investigation of spectral lines and their hyperfine structures. In a hollow cathode discharge lamp praseodymium atoms and ions in ground and excited states are excited to high lying states by laser light. The excitation source is a tunable ring-dye laser system, operated with R6G, Kiton Red, DCM and LD700. A high resolution Fourier transform spectrum is used for selecting promising excitation wavelengths. Then the laser wavelength is tuned to a strong hyperfine component of the spectral line to be investigated, and a search for fluorescence from excited levels is performed. From the observed hyperfine structure we determine J-values and hyperfine constants A of the combining levels. This information, together with excitation and fluorescence wavelengths, allows us to find the energies of involved new levels. Up to now we have discovered large number of previously unknown energy levels with various angular momentum values. We present here the data (energies, parities, angular momenta J, magnetic hyperfine constants A) of ca. 40 new, until now unknown energy levels with high angular momentum values: 15/2, 17/2, 19/2, 21/2.
Development of a microlesson in teaching energy levels of atoms
Rodriguez, Cherilyn A.; Buan, Amelia T.
2018-01-01
Energy levels of atoms is one of the difficult topics in understanding atomic structure of matter. It appears tobe abstract, theoretical and needs visual representation and images. Hence, in this study a microlesson in teaching the high school chemistry concept on the energy levels of atoms is developed and validated. The researchers utilized backward curriculum design in planning the microlesson to meet the standards of the science K-12 curriculum. The planning process of the microlesson involved a) Identifying the learning competencies in K-12 science curriculum b) write learning objectives c) planning of assessment tools d) making a storyboard e) designing the microlesson and validate and revise the microlesson. The microlesson made use of varied resources in the internet from which the students accessed and collected information about energy levels of atoms. Working in groups, the students synthesized the information on how and why fireworks produce various colors of light through a post card. Findings of the study showed that there was an increase of achievement in learning the content and the students were highly motivated to learn chemistry. Furthermore, the students perceived that the microlesson helped them to understand the chemistry concept through the use of appropriate multimedia activities.
Energy levels and radiative rates for transitions in Ti VI
International Nuclear Information System (INIS)
Aggarwal, K M; Keenan, F P; Msezane, A Z
2013-01-01
We report on calculations of energy levels, radiative rates, oscillator strengths and line strengths for transitions among the lowest 253 levels of the (1s 2 2s 2 2p 6 ) 3s 2 3p 5 , 3s3p 6 , 3s 2 3p 4 3d, 3s3p 5 3d, 3s 2 3p 3 3d 2 , 3s 2 3p 4 4s, 3s 2 3p 4 4p and 3s 2 3p 4 4d configurations of Ti VI. The general-purpose relativistic atomic structure package and flexible atomic code are adopted for the calculations. Radiative rates, oscillator strengths and line strengths are reported for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2) transitions among the 253 levels, although calculations have been performed for a much larger number of levels. Comparisons are made with existing available results and the accuracy of the data is assessed. Additionally, lifetimes for all 253 levels are listed, although comparisons with other theoretical results are limited to only 88 levels. Our energy levels are estimated to be accurate to better than 1% (within 0.03 Ryd), whereas results for other parameters are probably accurate to better than 20%. A reassessment of the energy level data on the National Institute of Standards and Technology website for Ti VI is suggested. (paper)
Energy Level Alignment at Aqueous GaN and ZnO Interfaces
Hybertsen, Mark S.; Kharche, Neerav; Muckerman, James T.
2014-03-01
Electronic energy level alignment at semiconductor-electrolyte interfaces is fundamental to electrochemical activity. Motivated in particular by the search for new materials that can be more efficient for photocatalysis, we develop a first principles method to calculate this alignment at aqueous interfaces and demonstrate it for the specific case of non-polar GaN and ZnO interfaces with water. In the first step, density functional theory (DFT) based molecular dynamics is used to sample the physical interface structure and to evaluate the electrostatic potential step at the interface. In the second step, the GW approach is used to evaluate the reference electronic energy level separately in the bulk semiconductor (valence band edge energy) and in bulk water (the 1b1 energy level), relative to the internal electrostatic energy reference. Use of the GW approach naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. With this predicted interface alignment, specific redox levels in water, with potentials known relative to the 1b1 level, can then be compared to the semiconductor band edge positions. Our results will be discussed in the context of experiments in which photoexcited GaN and ZnO drive the hydrogen evolution reaction. Research carried out at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy.
The Low Energy Level Structure of {sup 191}lr
Energy Technology Data Exchange (ETDEWEB)
Malmskog, S G; Berg, V [AB Atomenergi, Nykoeping (Sweden); [Inst. of Physics, U niv. of Stockholm (Sweden); Baecklin, A; Hedin, G [Inst. of Physics, Univ. of Upp sala (Sweden)
1970-02-15
The decay of {sup 191}Pt to {sup 191}Ir has been investigated using Ge(Li)-detectors and a double focusing beta spectrometer. 35 transitions were observed and most of them were placed in a level scheme. Special attention was given to the low energy level band structure. Several multipolarity mixing ratios were determined from L-subshell ratio measurements. Using the delayed coincidence technique the half-life of the 179.05 keV level was measured to 40 {+-} 12 psec. The low level decay properties are discussed in terms of the Nilsson model with the inclusion of Coriolis coupling.
Energy levels, lifetimes and radiative data of W LV
Ding, Xiao-bin; Sun, Rui; Koike, Fumihiro; Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Nakamura, Nobuyuki; Dong, Chen-zhong
2018-01-01
Calculations of energy levels, radiative data and lifetimes are reported for tungsten Ca-like ion (W LV) by using multi-configuration Dirac-Fock (MCDF) method. The GRASP2K package is adopted to carry out a large-scale systematic computation with a restricted active space treatment; the Breit interaction and QED effects are included in subsequent relativistic configuration interaction calculations. The energies and lifetimes of the lowest 119 levels are listed; the main leading configuration of the levels is of the ground state configuration [Ne]3s23p63d2 and the first excited configuration [Ne]3s23p53d3. The wavelengths, radiative rates and oscillator strengths for relatively strong E1, E2, M1, and M2 transitions are listed. Comparisons with earlier experimental and theoretical values are made. The average relative deviations of energy levels from the NIST results and E1 transition wavelengths from the EBIT experimental results have turned to be only 0.20% and 0.13%, respectively. The other present results are in reasonable agreement with available data. These agreements confirm the reliability and accuracy of the current results. The present datasets may help us with the investigation of the electron-electron correlation effects in complex multi-electron highly charged heavy ions and of the diagnosis of tungsten impurity plasmas in fusion science.
Energy Levels, wavelengths and hyperfine structure measurements of Sc II
Hala, Fnu; Nave, Gillian
2018-01-01
Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49
Net energy levels on the lipid profile of pork
Directory of Open Access Journals (Sweden)
Stephan Alexander da Silva Alencar
2017-09-01
Full Text Available ABSTRACT: This study was conducted to evaluate the effects of net energy levels on the lipid profile of adipose tissue and muscle of swines. A total of 90 animals, with initial weight of 71.94±4.43kg, were used, and distributed in a randomized block design in five net energy levels (2,300, 2,425, 2,550, 2,675, and 2,800Kcal kg-1 feed, with nine replicates and two animals per experimental unit. Lipid profiles of adipose tissue and muscle were analyzed using gas chromatography. Increasing the levels of net energy using soybean oil, improved the lipid profile of adipose tissue and muscle, increased linearly (P<0.05 the concentrations of polyunsaturated fatty acids, especially linoleic and α-linolenic acid, reduced linearly (P<0.05 the monounsaturated and saturated fatty acids and omega 6: omega 3. In adipose tissue was observed linear reduction (P<0.05 of atherogenic and thrombogenic indexes. In conclusion, increasing the level of net energy of the diet using soybean oil improved the lipid profile of adipose tissue and muscle.
On Low Energy Levels in {sup 185}W
Energy Technology Data Exchange (ETDEWEB)
Malmskog, S G; Hoejeberg, M; Berg, V
1969-02-15
Gamma ray spectra in the decay of {sup 185}Ta and {sup 185m}W have been studied with Ge (Li) detectors. The {sup 185m}W isomeric transition at 131.6 keV is shown to be of E3 multipolarity. A level scheme of {sup 185}W is proposed with the following energy levels (energies in keV, spin and K quantum numbers in brackets): 0 (3/2{sup -} 3/2), 23.5 (1/2{sup -} 1/2), 65.9 (5/2{sup -} 3/2), 93.5 (3/2{sup -} 1/2) (uncertain), 173.9 (7/2{sup -} 3/2), 188.1 (5/2{sup -} 1/2), 197.5 (11/2{sup +} 11/2) , 243.5 (7/2{sup -} 7/2), and 390.8 (9/2{sup -} 7/2)
Electronic Energy Levels and Band Alignment for Aqueous Phenol and Phenolate from First Principles.
Opalka, Daniel; Pham, Tuan Anh; Sprik, Michiel; Galli, Giulia
2015-07-30
Electronic energy levels in phenol and phenolate solutions have been computed using density functional theory and many-body perturbation theory. The valence and conduction bands of the solvent and the ionization energies of the solutes have been aligned with respect to the vacuum level based on the concept of a computational standard hydrogen electrode. We have found significant quantitative differences between the generalized-gradient approximation, calculations with the HSE hybrid functional, and many-body perturbation theory in the G0W0 approximation. For phenol, two ionization energies below the photoionization threshold of bulk water have been assigned in the spectrum of Kohn-Sham eigenvalues of the solution. Deprotonation to phenolate was found to lift a third occupied energy level above the valence band maximum of the solvent which is characterized by an electronic lone pair at the hydroxyl group. The second and third ionization energies of phenolate were found to be very similar and explain the intensity pattern observed in recent experiments using liquid-microjet photoemission spectroscopy.
Schlesinger, R.; Bianchi, F.; Blumstengel, S.; Christodoulou, C.; Ovsyannikov, R.; Kobin, B.; Moudgil, K.; Barlow, S.; Hecht, S.; Marder, S.R.; Henneberger, F.; Koch, N.
2015-01-01
The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach. PMID:25872919
Schlesinger, R; Bianchi, F; Blumstengel, S; Christodoulou, C; Ovsyannikov, R; Kobin, B; Moudgil, K; Barlow, S; Hecht, S; Marder, S R; Henneberger, F; Koch, N
2015-04-15
The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach.
Energy-level alignment in organic dye-sensitized TiO2 from GW calculations.
Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano
2013-07-07
The electronic energy levels of some representative isolated and oxide-supported organic dyes, relevant for photovoltaic applications, are investigated using many-body perturbation theory within the GW approximation. We consider a set of all-organic dyes (denominated L0, L2, L3, and L4) featuring the same donor and anchor groups and differing for the linker moieties. We first calculate the energy levels of the isolated molecules, thus allowing us to address the effects of the different linker groups, and resulting in good agreement with photo-electron spectroscopic and electrochemical data. We then consider the L0 dye adsorbed on the (101) surface of anatase-TiO2. We find a density of occupied states in agreement with experimental photo-electron data. The HOMO-LUMO energy gap of the L0 dye is found to be reduced by ~1 eV upon adsorption. Our results validate the reliability of GW calculations for photovoltaic applications and point to their potential as a powerful tool for the screening and rational design of new components of electrochemical solar cells.
Energy level alignment at hybridized organic-metal interfaces from a GW projection approach
Chen, Yifeng; Tamblyn, Isaac; Quek, Su Ying
Energy level alignments at organic-metal interfaces are of profound importance in numerous (opto)electronic applications. Standard density functional theory (DFT) calculations generally give incorrect energy level alignments and missing long-range polarization effects. Previous efforts to address this problem using the many-electron GW method have focused on physisorbed systems where hybridization effects are insignificant. Here, we use state-of-the-art GW methods to predict the level alignment at the amine-Au interface, where molecular levels do hybridize with metallic states. This non-trivial hybridization implies that DFT result is a poor approximation to the quasiparticle states. However, we find that the self-energy operator is approximately diagonal in the molecular basis, allowing us to use a projection approach to predict the level alignments. Our results indicate that the metallic substrate reduces the HOMO-LUMO gap by 3.5 4.0 eV, depending on the molecular coverage/presence of Au adatoms. Our GW results are further compared with those of a simple image charge model that describes the level alignment in physisorbed systems. Syq and YC acknowledge Grant NRF-NRFF2013-07 and the medium-sized centre program from the National Research Foundation, Singapore.
Energy Levels and B(E2) transition rates in the Hartree-Fock approximation with the Skyrme force
International Nuclear Information System (INIS)
Oliveira, D.R. de; Mizrahi, S.S.
1976-11-01
The Hartree-Fock approximation with the Skyrme force is applied to the A = 4n type of nuclei in the s-d shell. Energy levels and electric quadrupole transition probabilities within the ground states band are calculated from the projected states of good angular momentum. Strong approximations are made but the results concerning the spectra are better than those obtained with more sophisticated density independent two-body interactions. The transition rates are less sensitive to the interaction, as previously verified
Calculation of almost all energy levels of baryons
Directory of Open Access Journals (Sweden)
Mario Everaldo de Souza
2011-03-01
Full Text Available It is considered that the effective interaction between any two quarks of a baryon can be approximately described by a simple harmonic potential. The problem is firstly solved in Cartesian coordinates in order to find the energy levels irrespective of their angular momenta. Then, the problem is also solved in polar cylindrical coordinates in order to take into account the angular momenta of the levels. Comparing the two solutions, a correspondence is made between the angular momenta and parities for almost all experimentally determined levels. The agreement with the experimental data is quite impressive and, in general, the discrepancy between calculated and experimental values is below 5%. A couple of levels of $Delta$, $N$, $Sigma^{pm}$, and $Omega$ present discrepacies between 6.7% and 12.5% ($N(1655$, $N(1440$, $N(1675$, $N(1685$, $N(1700$, $N(1710$, $N(1720$, $N(1990$, $N(2600$, $Delta(1700$, $Delta(2000$, $Delta(2300$, $Sigma^{pm}(1189$, $Lambda(1520$, $Omega(1672$ and $Omega(2250$.Received: 6 June 2011, Accepted: 13 July 2011; Edited by: D. Restrepo; Reviewed by: J. H. Muñoz, Universidad del Tolima, Ibagué, Colombia and Centro Brasileiro de Pesquisas Fisica; DOI: http://dx.doi.org/10.4279/PIP.030003Cite as: M. E. de Souza, Papers in Physics 3, 030003 (2011
Investigation of the energy levels of 38AR
International Nuclear Information System (INIS)
Waanders, F.B.
1975-07-01
In this project information on the energy levels of 38 Ar was obtained by means of the (p,γ) reaction. The 1,1 MeV Cockroft-Walton accelerator of the Potchefstroom University for CHE was used to produce the proton beam while a 80 cm 3 Ge(Li) detector was used to detect the gamma-rays. Precise gamma-branchings were determined for 50 bound levels, of which four have not previously been determined. These branchings were obtained from the 28 resonances studied in the 37 Cl(p,γ) 38 Ar reaction. The resonance with a proton energy of (592 plus minus 3) keV was not detected previously. The resonance energies, Q-value and energies of the bound levels used in this project were taken from the study done by Alderliesten. The mean lifetimes of a few bound levels of 38 Ar were measured by means of the doppler shift attenuation method. The results concerning the bound states and mean lifetimes are in good agreement with previous experiments. Limitations on the spin and parities of 19 (p,γ) resonances have been set by means of Weisskopf estimates. Only those cases for which the spin could be limited to two values are discussed in the text. A summary of experimental data obtained on 38 Ar is compared with the results from shellmodel calculations done by various workers. A short discussion on the analogue states in 38 Ar is also given [af
Energy-level statistics and time relaxation in quantum systems
International Nuclear Information System (INIS)
Gruver, J.L.; Cerdeira, H.A.; Aliaga, J.; Mello, P.A.; Proto, A.N.
1997-05-01
We study a quantum-mechanical system, prepared, at t = 0, in a model state, that subsequently decays into a sea of other states whose energy levels form a discrete spectrum with given statistical properties. An important quantity is the survival probability P(t), defined as the probability, at time t, to find the system in the original model state. Our main purpose is to analyze the influence of the discreteness and statistical properties of the spectrum on the behavior of P(t). Since P(t) itself is a statistical quantity, we restrict our attention to its ensemble average , which is calculated analytically using random-matrix techniques, within certain approximations discussed in the text. We find, for , an exponential decay, followed by a revival, governed by the two-point structure of the statistical spectrum, thus giving a nonzero asymptotic value for large t's. The analytic result compares well with a number of computer simulations, over a time range discussed in the text. (author). 17 refs, 1 fig
Energy levels and transition probabilities for Fe XXV ions
Energy Technology Data Exchange (ETDEWEB)
Norrington, P.H.; Kingston, A.E.; Boone, A.W. [Department of Applied Maths and Theoretical Physics, Queen' s University, Belfast BT7 1NN (United Kingdom)
2000-05-14
The energy levels of the 1s{sup 2}, 1s2l and 1s3l states of helium-like iron Fe XXV have been calculated using two sets of configuration-interaction wavefunctions. One set of wavefunctions was generated using the fully relativistic GRASP code and the other was obtained using CIV3, in which relativistic effects are introduced using the Breit-Pauli approximation. For transitions from the ground state to the n=2 and 3 states and for transitions between the n=2 and 3 states, the calculated excitation energies obtained by these two independent methods are in very good agreement and there is good agreement between these results and recent theoretical and experimental results. However, there is considerable disagreement between the various excitation energies for the transitions among the n=2 and also among the n=3 states. The two sets of wavefunctions are also used to calculate the E1, E2, M1 and M2 transition probabilities between all of the 1s{sup 2}, 1s2l and 1s3l states of helium-like iron Fe XXV. The results from the two calculations are found to be similar and to compare very well with other recent results for {delta}n=1 or 2 transitions. For {delta}n=0 transitions the agreement is much less satisfactory; this is mainly due to differences in the excitation energies. (author)
Enhanced Performance of DSSCs Based on the Insertion Energy Level of CdS Quantum Dots
Directory of Open Access Journals (Sweden)
Xiaoping Zou
2014-01-01
Full Text Available Cadmium sulfide (CdS quantum dots (QDs are assembled onto the TiO2 films by chemical bath deposition method (CBD. And the QDs size is controlled by the times of CBD cycles. They are characterized by UV-visible absorption. To avoid the photo corrosion and electrolyte corrosion, CdS and N719 are sequentially assembled onto the nanocrystalline TiO2 films to prepare a CdS/N719 cosensitized photo electrode for the dye-sensitized solar cells. In the structure of TiO2/CdS/N719 electrode, the reorganization of energy levels between CdS and N719 forms a stepwise structure of band-edge levels which is advantageous to the electron injection and hole recovery of CdS and N719 QDs. The open circuit voltage (Voc, short circuit current density (Jsc, and efficiency are increased.
Energy level alignment and quantum conductance of functionalized metal-molecule junctions
DEFF Research Database (Denmark)
Jin, Chengjun; Strange, Mikkel; Markussen, Troels
2013-01-01
We study the effect of functional groups (CH3*4, OCH3, CH3, Cl, CN, F*4) on the electronic transport properties of 1,4-benzenediamine molecular junctions using the non-equilibrium Green function method. Exchange and correlation effects are included at various levels of theory, namely density...... functional theory (DFT), energy level-corrected DFT (DFT+Σ), Hartree-Fock and the many-body GW approximation. All methods reproduce the expected trends for the energy of the frontier orbitals according to the electron donating or withdrawing character of the substituent group. However, only the GW method...... predicts the correct ordering of the conductance amongst the molecules. The absolute GW (DFT) conductance is within a factor of two (three) of the experimental values. Correcting the DFT orbital energies by a simple physically motivated scissors operator, Σ, can bring the DFT conductances close...
Energy Technology Data Exchange (ETDEWEB)
Abad, Enrique
2013-07-01
A new calculational approach to describing metal/organic interfaces. A valuable step towards a better understanding of molecular electronics. Nominated as an outstanding contribution by the Autonomous University of Madrid. In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Traditional methods based on density functional theory (DFT), are not appropriate for analyzing them because they underestimate the organic energy gap and fail to correctly describe the van der Waals forces. Since the size of these systems prohibits the use of more accurate methods, corrections to those DFT drawbacks are desirable. In this work a combination of a standard DFT calculation with the inclusion of the charging energy (U) of the molecule, calculated from first principles, is presented. Regarding the dispersion forces, incorrect long range interaction is substituted by a van der Waals potential. With these corrections, the C60, benzene, pentacene, TTF and TCNQ/Au(111) interfaces are analyzed, both for single molecules and for a monolayer. The results validate the induced density of interface states model.
Energy levels and the de Broglie relationship for high school students
Gianino, Concetto
2008-07-01
In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels are deduced using correspondence with circular uniform motion.
Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces
Souza, A. M.
2013-10-07
We present a computational scheme for extracting the energy-level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on Li(100), allows us to evaluate charge-transfer energies, as well as the spatial distribution of the image charge induced on the metal surface. We systematically study the energies for charge transfer from the molecule to the substrate as function of the molecule-substrate distance, and investigate the effects arising from image-charge confinement and local charge neutrality violation. For benzene on Li(100) we find that the image-charge plane is located at about 1.8 Å above the Li surface, and that our calculated charge-transfer energies compare perfectly with those obtained with a classical electrostatic model having the image plane located at the same position. The methodology outlined here can be applied to study any metal/organic interface in the weak coupling limit at the computational cost of a total energy calculation. Most importantly, as the scheme is based on total energies and not on correcting the Kohn-Sham quasiparticle spectrum, accurate results can be obtained with local/semilocal exchange and correlation functionals. This enables a systematic approach to convergence.
International Nuclear Information System (INIS)
Ismail, M.; Adel, A.
2013-01-01
A realistic density-dependent nucleon–nucleon (NN) interaction with finite-range exchange part which produces the nuclear matter saturation curve and the energy dependence of the nucleon–nucleus optical model potential is used to calculate the preformation probability, S α , of α-decay from different isotones with neutron numbers N=124,126,128,130 and 132. We studied the variation of S α with the proton number, Z, for each isotone and found the effect of neutron and proton energy levels of parent nuclei on the behavior of the α-particle preformation probability. We found that S α increases regularly with the proton number when the proton pair in α-particle is emitted from the same level and the neutron level sequence is not changed during the Z-variation. In this case the neutron–proton (n–p) interaction of the two levels, contributing to emission process, is too small. On the contrary, if the proton or neutron level sequence is changed during the emission process, S α behaves irregularly, the irregular behavior increases if both proton and neutron levels are changed. This behavior is accompanied by change or rapid increase in the strength of n–p interaction
Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces
Souza, A. M.; Rungger, I.; Pemmaraju, C. D.; Schwingenschlö gl, Udo; Sanvito, S.
2013-01-01
We present a computational scheme for extracting the energy-level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on Li(100), allows us to evaluate charge-transfer energies, as well as the spatial distribution of the image charge induced on the metal surface. We systematically study the energies for charge transfer from the molecule to the substrate as function of the molecule-substrate distance, and investigate the effects arising from image-charge confinement and local charge neutrality violation. For benzene on Li(100) we find that the image-charge plane is located at about 1.8 Å above the Li surface, and that our calculated charge-transfer energies compare perfectly with those obtained with a classical electrostatic model having the image plane located at the same position. The methodology outlined here can be applied to study any metal/organic interface in the weak coupling limit at the computational cost of a total energy calculation. Most importantly, as the scheme is based on total energies and not on correcting the Kohn-Sham quasiparticle spectrum, accurate results can be obtained with local/semilocal exchange and correlation functionals. This enables a systematic approach to convergence.
Liechty, Derek S.; Lewis, Mark
2010-01-01
A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.
A random matrix approach to the crossover of energy-level statistics from Wigner to Poisson
International Nuclear Information System (INIS)
Datta, Nilanjana; Kunz, Herve
2004-01-01
We analyze a class of parametrized random matrix models, introduced by Rosenzweig and Porter, which is expected to describe the energy level statistics of quantum systems whose classical dynamics varies from regular to chaotic as a function of a parameter. We compute the generating function for the correlations of energy levels, in the limit of infinite matrix size. The crossover between Poisson and Wigner statistics is measured by a renormalized coupling constant. The model is exactly solved in the sense that, in the limit of infinite matrix size, the energy-level correlation functions and their generating function are given in terms of a finite set of integrals
Energy Technology Data Exchange (ETDEWEB)
Saloman, Edward B. [Dakota Consulting, Inc., 1110 Bonifant Street, Suite 310, Silver Spring, MD 20910 (United States); Kramida, Alexander [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)
2017-08-01
The energy levels, observed spectral lines, and transition probabilities of the neutral vanadium atom, V i, have been compiled. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factors and leading percentage compositions for the levels are included where available, as well as wavelengths calculated from the energy levels (Ritz wavelengths). Wavelengths are reported for 3985 transitions, and 549 energy levels are determined. The observed relative intensities normalized to a common scale are provided.
Fluctuation properties of nuclear energy levels and widths: comparison of theory with experiment
International Nuclear Information System (INIS)
Bohigas, O.; Haq, R.U.; Pandey, A.
1982-09-01
We analyze the fluctuation properties of nuclear energy levels and widths with new spectrally averaged measures. A remarkably close agreement between the predictions of random-matrix theories and experiment is found
First-principles calculation of electronic energy level alignment at electrochemical interfaces
Energy Technology Data Exchange (ETDEWEB)
Azar, Yavar T.; Payami, Mahmoud, E-mail: mpayami@aeoi.org.ir
2017-08-01
Highlights: • Using DFT calculation, level shifts of TiO{sub 2} and ZnO at the interfaces with MeCN and DMF are determined. • Level shifts are obtained using potential difference between the surfaces of asymmetric slabs. • Solvent molecules give an up-shift to the levels that varies with coverage. • MD simulations show that at room temperatures the surface is not fully covered by the solvent molecules. - Abstract: Energy level alignment at solid–solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this study, using first-principles DFT calculation, we have determined the level shifts of the semiconductors TiO{sub 2} and ZnO at the interfaces with MeCN and DMF solvent molecules. The level shifts of semiconductor are obtained using the potential difference between the clean and exposed surfaces of asymmetric slabs. In this work, neglecting the effects of present ions in the electrolyte solution, we have shown that the solvent molecules give rise to an up-shift for the levels, and the amount of this shift varies with coverage. It is also shown that the shapes of density of states do not change sensibly near the gap. Molecular dynamics simulations of the interface have shown that at room temperatures the semiconductor surface is not fully covered by the solvent molecules, and one must use intermediate values in an static calculations.
Energy-level scheme and transition probabilities of Si-like ions
International Nuclear Information System (INIS)
Huang, K.N.
1984-01-01
Theoretical energy levels and transition probabilities are presented for 27 low-lying levels of silicon-like ions from Z = 15 to Z = 106. The multiconfiguration Dirac-Fock technique is used to calculate energy levels and wave functions. The Breit interaction and Lamb shift contributions are calculated perturbatively as corrections to the Dirac-Fock energy. The M1 and E2 transitions between the first nine levels and the E1 transitions between excited and the ground levels are presented
Energy levels of mesic molecules ddμ and dt μ in a homogeneous magnetic field
International Nuclear Information System (INIS)
Choi Nam Chol.
1990-01-01
The energy levels of mesic molecules ddμ and dtμ in a homogeneous magnetic field 0-10 8 Gs have been calculated. Calculations are carried out in the adiabatic representation of three-body problem. It is shown that in really existing fields ( 5 Gs) the shifts of energy levels produce no considerable effect on the process of resonant production of mesic molecules. 13 refs.; 3 figs.; 2 tabs
The covalence effect of energy levels of ZnS:Mn2+
International Nuclear Information System (INIS)
Dong-Yang, Li; Mao-Lu, Du; Yi, Huang
2013-01-01
The contribution of the different covalence for t 2 and e orbitals must be considered in the investigation of the optical and magnetic properties of the transition metal ion in II–VI and III–V semiconductors. In present paper, two covalent parameters N t and N e associated with t 2 and e orbitals have been adopted to describe the covalence. The energy matrices considering the different covalence for t 2 and e orbitals have been provided for d 5 ions in crystal. These matrices show that the contribution from the Racah parameter A cannot be neglected in calculation of energy-level of d 5 ions in covalent crystal. The calculated results using the matrix show that the energy levels of 4 E and 4 A 1 states split, and the energy-level difference between 4 E and 4 A 1 states increases with increase of the different covalence between t 2 and e orbitals. These energy levels are always degenerate, when the different covalence for t 2 and e orbitals is neglected. By using the energy matrices, the energy-level of ZnS:Mn 2+ has been calculated. The calculated energy levels of ZnS:Mn 2+ are in good agreement with the experiments
Energy Technology Data Exchange (ETDEWEB)
Chang, Chih-Hao, E-mail: chc@saturn.yzu.edu.tw [Department of Photonics Engineering, Yuan Ze University, Chung-Li 32003, Taiwan, ROC (China); Wu, Zih-Jyun; Liang, Yi-Hu; Chang, Yu-Shuo; Chiu, Chuan-Hao; Tai, Cheng-Wei [Department of Photonics Engineering, Yuan Ze University, Chung-Li 32003, Taiwan, ROC (China); Chang, Hsin-Hua, E-mail: hhua3@mail.vnu.edu.tw [Department of Electro-Optical Engineering, Vanung University, Chung-Li 32061, Taiwan, ROC (China)
2013-12-02
In general, organic light-emitting devices (OLEDs) need to operate at higher current density levels to ensure an ample light flux. However, stressed operation will result in poor performance and limited device lifetime. Recently, a tandem structure has been proposed as a pivotal technique to meet the stringent lighting requirements for OLED commercialization, with a research focus on decreasing the concomitant higher operation voltage. Driving two connected emission units (EMUs) in a tandem structure often requires more than twice the driving voltage for a single EMU. This study investigates bipolar host materials and their effective employment in fabricating tandem white phosphorescent OLEDs (PhOLEDs). In addition, the design of a mechanism to align the energy level between the hole transport layer/emitting layer is shown to effectively mitigate operational voltages. In sharp contrast to devices using a unipolar host material, we demonstrate that the turn-on voltage of blue PhOLEDs could be decreased from 3.8 V to 2.7 V through utilizing a bipolar host. Furthermore, applying the proposed techniques to tandem white PhOLEDs produces a luminance of 10{sup 3} cd/m{sup 2} by a 10.1 V driving voltage. - Highlights: • The matched energy level between the hole transport/emitting layer lowers voltages. • Multiple conduction dopants were used to investigate charge generation layer. • Two-color emitters were used to quantify the charge generation strength.
International Nuclear Information System (INIS)
Chang, Chih-Hao; Wu, Zih-Jyun; Liang, Yi-Hu; Chang, Yu-Shuo; Chiu, Chuan-Hao; Tai, Cheng-Wei; Chang, Hsin-Hua
2013-01-01
In general, organic light-emitting devices (OLEDs) need to operate at higher current density levels to ensure an ample light flux. However, stressed operation will result in poor performance and limited device lifetime. Recently, a tandem structure has been proposed as a pivotal technique to meet the stringent lighting requirements for OLED commercialization, with a research focus on decreasing the concomitant higher operation voltage. Driving two connected emission units (EMUs) in a tandem structure often requires more than twice the driving voltage for a single EMU. This study investigates bipolar host materials and their effective employment in fabricating tandem white phosphorescent OLEDs (PhOLEDs). In addition, the design of a mechanism to align the energy level between the hole transport layer/emitting layer is shown to effectively mitigate operational voltages. In sharp contrast to devices using a unipolar host material, we demonstrate that the turn-on voltage of blue PhOLEDs could be decreased from 3.8 V to 2.7 V through utilizing a bipolar host. Furthermore, applying the proposed techniques to tandem white PhOLEDs produces a luminance of 10 3 cd/m 2 by a 10.1 V driving voltage. - Highlights: • The matched energy level between the hole transport/emitting layer lowers voltages. • Multiple conduction dopants were used to investigate charge generation layer. • Two-color emitters were used to quantify the charge generation strength
Effect of temperature-dependent energy-level shifts on a semiconductor's Peltier heat
International Nuclear Information System (INIS)
Emin, D.
1984-01-01
The Peltier heat of a charge carrier in a semiconductor is calculated for the situation in which the electronic energy levels are temperature dependent. The temperature dependences of the electronic energy levels, generally observed optically, arise from their dependences on the vibrational energy of the lattice (e.g., as caused by thermal expansion). It has been suggested that these temperature dependences will typically have a major effect on the Peltier heat. The Peltier heat associated with a given energy level is a thermodynamic quantity; it is the product of the temperature and the change of the entropy of the system when a carrier is added in that level. As such, the energy levels cannot be treated as explicitly temperature dependent. The electron-lattice interaction causing the temperature dependence must be expressly considered. It is found that the carrier's interaction with the atomic vibrations lowers its electronic energy. However, the interaction of the carrier with the atomic vibrations also causes an infinitesimal lowering (approx.1/N) of each of the N vibrational frequencies. As a result, there is a finite carrier-induced increase in the average vibrational energy. Above the Debye temperature, this cancels the lowering of the carrier's electronic energy. Thus, the standard Peltier-heat formula, whose derivation generally ignores the temperature dependence of the electronic energy levels, is regained. This explains the apparent success of the standard formula in numerous analyses of electronic transport experiments
Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation
Energy Technology Data Exchange (ETDEWEB)
Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph
2016-10-15
The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl–Teller and Gaussian wells.
Energy Technology Data Exchange (ETDEWEB)
Saloman, Edward B. [Dakota Consulting, Inc., 1110 Bonifant Street, Suite 310, Silver Spring, MD 20910 (United States); Kramida, Alexander [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)
2017-08-01
The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3 d {sup 4}, 3 d {sup 3} ns ( n = 4, 5, 6), 3 d {sup 3} np , and 3 d {sup 3} nd ( n = 4, 5), 3 d {sup 3}4 f , 3 d {sup 2}4 s {sup 2}, and 3 d {sup 2}4 s 4 p . Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm{sup −1}, corresponding to 14.634(7) eV. This is 130 cm{sup −1} higher than the previously recommended value from Iglesias et al.
Roy-Gobeil, Antoine; Miyahara, Yoichi; Grutter, Peter
2015-04-08
We present theoretical and experimental studies of the effect of the density of states of a quantum dot (QD) on the rate of single-electron tunneling that can be directly measured by electrostatic force microscopy (e-EFM) experiments. In e-EFM, the motion of a biased atomic force microscope cantilever tip modulates the charge state of a QD in the Coulomb blockade regime. The charge dynamics of the dot, which is detected through its back-action on the capacitavely coupled cantilever, depends on the tunneling rate of the QD to a back-electrode. The density of states of the QD can therefore be measured through its effect on the energy dependence of tunneling rate. We present experimental data on individual 5 nm colloidal gold nanoparticles that exhibit a near continuous density of state at 77 K. In contrast, our analysis of already published data on self-assembled InAs QDs at 4 K clearly reveals discrete degenerate energy levels.
Impact behaviour of Napier/polyester composites under different energy levels
Energy Technology Data Exchange (ETDEWEB)
Fahmi, I., E-mail: fahmi-unimap@yahoo.com; Majid, M. S. Abdul, E-mail: shukry@unimap.edu.my; Afendi, M., E-mail: afendirojan@unimap.edu.my; Haameem, J. M.A., E-mail: mhaameem@gmail.com [School of Mechatronic Engineering, Universiti Malaysia Perlis, Arau (Malaysia); Haslan, M., E-mail: haslan@sirim.my; Helmi, E. A., E-mail: hilmi@sirim.my [Advanced Material Research Centre (AMREC), SIRIM Berhad, Kulim (Malaysia)
2016-07-19
The effects of different energy levels on the impact behaviour of Napier fibre/polyester reinforced composites were investigated. Napier fibre was extracted using traditional water retting process to be utilized as reinforcing materials in polyester composite laminates. 25% fibre loading composite laminates were prepared and impacted at three different energy levels; 2.5,5 and 7.5 J using an instrumented drop weight impact testing machine (IMATEK IM10). The outcomes show that peak force and contact time increase with increased impact load. The energy absorption was then calculated from the force displacement curve. The results indicated that the energy absorption decreases with increasing energy levels of the impact. Impacted specimens were observed visually for fragmentation fracture using an optical camera to identify the failure mechanisms. Fracture fragmentation pattern from permanent dent to perforation with radial and circumferential was observed.
Van der Waals potential and vibrational energy levels of the ground state radon dimer
Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei
2017-08-01
In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.
Atomic structure calculation of energy levels and oscillator strengths in Ti ion, 2
International Nuclear Information System (INIS)
Ishii, Keishi
1983-10-01
Energy levels and oscillator strengths are calculated for 3s-3p and 3p-3d transition arrays in Ti X, isoelectronic to Al I. The energy levels are obtained by the Slater-Condon theory of atomic structure, including explicitly the strong configuration interactions. The results are presented both in numerical tables and in diagrams. In the tables, the observed data are included for comparison, where available. The calculated weighted oscillator strengths (gf-value) are also displayed in figures, where the weighted oscillator strengths are plotted as a function of wavelength. (author)
Energy-level alignment at interfaces between manganese phthalocyanine and C60
Directory of Open Access Journals (Sweden)
Daniel Waas
2017-04-01
Full Text Available We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs is rather small.
Plasma-screening effects upon energy levels and electron scattering from neutral and ionized caesium
International Nuclear Information System (INIS)
Chin, Y.J.; Radtke, R.; Zimmermann, R.
1988-01-01
Using interaction potentials screened with the Debye-Hueckel length, the effects of plasma shielding on energy levels and electrons scattering from neutral and ionized caesium are estimated. Both energy levels and atomic scattering cross-sections are found to be sensitive to the inclusion of screening. Relating to the scattering by the Cs + ion, a low-energy resonance near E = 0.3 Ryd is found which arises from the f-wave phase shift and reflects the individual behaviour of the scattering ion. (author)
Plasma-screening effects upon energy levels and electron scattering from neutral and ionized caesium
Energy Technology Data Exchange (ETDEWEB)
Chin, Y J; Radtke, R; Zimmermann, R
1988-01-01
Using interaction potentials screened with the Debye-Hueckel length, the effects of plasma shielding on energy levels and electrons scattering from neutral and ionized caesium are estimated. Both energy levels and atomic scattering cross-sections are found to be sensitive to the inclusion of screening. Relating to the scattering by the Cs/sup +/ ion, a low-energy resonance near E = 0.3 Ryd is found which arises from the f-wave phase shift and reflects the individual behaviour of the scattering ion.
Bibliography on atomic energy levels and spectra. Special pub., Jul 1971--Jun 1975
International Nuclear Information System (INIS)
Hagan, L.
1977-01-01
This is the first supplement to the NBS Special Publication 363, 'Bibliography on Atomic Energy Levels and Spectra, July 1968 through June 1971,' and it covers the most recent literature from July 1971 through June 1975. It contains approximately 2150 references classified by subject for individual atoms and atomic ions. A number index identifies the references. An author index is included. References included contain data on energy levels, classified lines, wavelengths, Zeeman effect, Stark effect, hyperfine structure, isotope shift, ionization potentials, or theory which gives results for specific atoms or atomic ions
Energy levels of a spin-orbit-coupled Bose-Einstein condensate in a double-well potential
Wang, Wen-Yuan; Cao, Hui; Zhu, Shi-Liang; Liu, Jie; Fu, Li-Bin
2015-02-01
We investigate the energy levels of a spin-orbit-coupled Bose-Einstein condensate in a double-well potential under the mean-field approximation. We find that the energy levels of the system can be significantly influenced by the atomic interactions. Without atomic interaction, four energy levels change linearly with the tunneling amplitude, the Raman coupling, and the spin-orbit coupling. However, whenever atomic interaction is considered, three more energy levels will appear, which have a nonlinear dependence on those parameters above. These three energy levels are multi-degenerate and related to the macro-symmetry of the system.
Energy levels of a spin–orbit-coupled Bose–Einstein condensate in a double-well potential
International Nuclear Information System (INIS)
Wang, Wen-Yuan; Liu, Jie; Cao, Hui; Fu, Li-Bin; Zhu, Shi-Liang
2015-01-01
We investigate the energy levels of a spin–orbit-coupled Bose–Einstein condensate in a double-well potential under the mean-field approximation. We find that the energy levels of the system can be significantly influenced by the atomic interactions. Without atomic interaction, four energy levels change linearly with the tunneling amplitude, the Raman coupling, and the spin–orbit coupling. However, whenever atomic interaction is considered, three more energy levels will appear, which have a nonlinear dependence on those parameters above. These three energy levels are multi-degenerate and related to the macro-symmetry of the system. (paper)
Energy-level alignment at metal-organic and organic-organic interfaces
Veenstra, Sjoerd; Jonkman, H.T.
2003-01-01
This article reports on the electronic structure at interfaces found in organic semiconductor devices. The studied organic materials are C-60 and poly (para-phenylenevinylene) (PPV)-like oligomers, and the metals are polycrystalline Au and Ag. To measure the energy levels at these interfaces,
Role of intrinsic molecular dipole in energy level alignment at organic interfaces
Lindell, L.; Cakir, Deniz; Brocks, G.; Fahlman, M.; Braun, S.
2013-01-01
The energy level alignment in metal-organic and organic-organic junctions of the widely used materials tris-(8-hydroxyquinoline)aluminum (Alq3) and 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA) is investigated. The measured alignment schemes for single and bilayer films of Alq3 and NTCDA
Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom
Tian Yi, Zhang; Neng Wu, Zheng
2009-08-01
Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.
Shell-Tunneling Spectroscopy of the Single-Particle Energy Levels of Insulating Quantum Dots
Bakkers, E.P.A.M.; Hens, Z.; Zunger, A.; Franceschetti, A; Kouwenhoven, L.P.; Gurevich, L.; Vanmaekelbergh, D.
2001-01-01
The energy levels of CdSe quantum dots are studied by scanning tunneling spectroscopy. By varying the tip-dot distance, we switch from "shell-filling" spectroscopy (where electrons accumulate in the dot and experience mutual repulsion) to "shell-tunneling" spectroscopy (where electrons tunnel, one
International Nuclear Information System (INIS)
Ahmad, S.A.; Venugopalan, A.; Saksena, G.D.
1982-01-01
Isotope shift ΔT (156-160) have been evaluated for 52 odd and 90 even energy levels of the neutral gadolinium atom from the measurements carried out on 166 lines of the first spectrum in the region 4535 to 4975 A on a photoelectric recording Fabry-Perot Spectrometer and enriched samples of 156 Gd and 160 Gd. Earlier studies provide data for just two lines in this region. Assignment of electronic configurations to some of the energy levels have been either confirmed or revised; some unassigned levels have been assigned probable configurations. The present study provides, for the first time, isotope shift of the two levels of 4f 7 6s 2 7s configuration of Gd I. (author)
Delayed Dopamine Signaling of Energy Level Builds Appetitive Long-Term Memory in Drosophila
Directory of Open Access Journals (Sweden)
Pierre-Yves Musso
2015-02-01
Full Text Available Sensory cues relevant to a food source, such as odors, can be associated with post-ingestion signals related either to food energetic value or toxicity. Despite numerous behavioral studies, a global understanding of the mechanisms underlying these long delay associations remains out of reach. Here, we demonstrate in Drosophila that the long-term association between an odor and a nutritious sugar depends on delayed post-ingestion signaling of energy level. We show at the neural circuit level that the activity of two pairs of dopaminergic neurons is necessary and sufficient to signal energy level to the olfactory memory center. Accordingly, we have identified in these dopaminergic neurons a delayed calcium trace that correlates with appetitive long-term memory formation. Altogether, these findings demonstrate that the Drosophila brain remembers food quality through a two-step mechanism that consists of the integration of olfactory and gustatory sensory information and then post-ingestion energetic value.
Fine-structure energy levels and radiative lifetime in Mo XIV
International Nuclear Information System (INIS)
Wang Xiaodong; Pei Dong; Jiang Renbin; Wang Wanjue
2002-01-01
Energy levels, radiative lifetime and various transition parameters for allowed transitions among the 1508 fine-structure levels belong to the (1s 2 2s 2 2p 6 3s 2 3p 6 ) 3d 10 4l, 3d 9 4l 2 , 3d 10 5l, 3d 9 4l4m, 3d 10 6l, 3d 10 7l and so on configurations of the Cu-like ions Mo XIV have been calculated by using the expanded fully relativistic GRASP code. The results are compared with those available in the literature, and the accuracy of the present data is assessed. Energy levels are expected to be accurate to within 0.81%. The authors have found some long lifetime levels
Energy-level splitting of multicharged ions due to interaction with own radiation field
International Nuclear Information System (INIS)
Gajnutdinov, R.Kh.; Kalashnikov, K.K.
1991-01-01
The overlapping of the energy levels of He-like uranium states with identical principal quantum numbers is investigated. Results are presented of a numerical calculation of the states produced as a result of mixing of the 2s 1/2 8p 1/2 and 2p 1/2 8p 1/2 states and of the respective spectral lines. It is shown that the interaction between the ion and its own radiation field splits each of the overlapping energy levels into several sublevels. The sublevels are isolated from each to other such an extent that interference effects become insignificant. The shapes of the spectral lines differ pronouncedly from the Lorentz shape and many of the line are anomaously narrow
International Nuclear Information System (INIS)
Kim, Jin Tae; Yi, Jong Hoon; Rhee, Yong Joo; Lee, Jong Min
2000-01-01
We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm -1 and 37700 cm -1
Kim, J T; Rhee, Y J; Lee, J M
2000-01-01
We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm sup - sup 1 and 37700 cm sup - sup 1
Zhang, Maojie; Guo, Xia; Zhang, Shaoqing; Hou, Jianhui
2014-02-01
The synergistic effect of fluorination on molecular energy level modulation is realized by introducing fluorine atoms onto both the donor and the acceptor moieties in a D-A polymer, and as a result, the polymer solar cell device based on the trifluorinated polymer, PBT-3F, shows a high efficiency of 8.6%, under illumination of AM 1.5G, 100 mW cm(-) (2) . © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Suppressing recombination in polymer photovoltaic devices via energy-level cascades.
Tan, Zhi-Kuang; Johnson, Kerr; Vaynzof, Yana; Bakulin, Artem A; Chua, Lay-Lay; Ho, Peter K H; Friend, Richard H
2013-08-14
An energy cascading structure is designed in a polymer photovoltaic device to suppress recombination and improve quantum yields. By the insertion of a thin polymer interlayer with intermediate energy levels, electrons and holes can effectively shuttle away from each other while being spatially separated from recombination. An increase in open-circuit voltage and short-circuit current are observed in modified devices. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Delayed Dopamine Signaling of Energy Level Builds Appetitive Long-Term Memory in Drosophila
Pierre-Yves Musso; Paul Tchenio; Thomas Preat
2015-01-01
Sensory cues relevant to a food source, such as odors, can be associated with post-ingestion signals related either to food energetic value or toxicity. Despite numerous behavioral studies, a global understanding of the mechanisms underlying these long delay associations remains out of reach. Here, we demonstrate in Drosophila that the long-term association between an odor and a nutritious sugar depends on delayed post-ingestion signaling of energy level. We show at the neural circuit level t...
Calculations of energy levels and lifetimes of low-lying states of barium and radium
International Nuclear Information System (INIS)
Dzuba, V. A.; Ginges, J. S. M.
2006-01-01
We use the configuration-interaction method and many-body perturbation theory to perform accurate calculations of energy levels, transition amplitudes, and lifetimes of low-lying states of barium and radium. Calculations for radium are needed for the planning of measurements of parity- and time-invariance-violating effects which are strongly enhanced in this atom. Calculations for barium are used to control the accuracy of the calculations
de, Naiara V
2018-01-01
In this article the authors study Hamiltonian flows associated to smooth functions H:\\mathbb R^4 \\to \\mathbb R restricted to energy levels close to critical levels. They assume the existence of a saddle-center equilibrium point p_c in the zero energy level H^{-1}(0). The Hamiltonian function near p_c is assumed to satisfy Moser's normal form and p_c is assumed to lie in a strictly convex singular subset S_0 of H^{-1}(0). Then for all E \\gt 0 small, the energy level H^{-1}(E) contains a subset S_E near S_0, diffeomorphic to the closed 3-ball, which admits a system of transversal sections \\mathcal F_E, called a 2-3 foliation. \\mathcal F_E is a singular foliation of S_E and contains two periodic orbits P_2,E\\subset \\partial S_E and P_3,E\\subset S_E\\setminus \\partial S_E as binding orbits. P_2,E is the Lyapunoff orbit lying in the center manifold of p_c, has Conley-Zehnder index 2 and spans two rigid planes in \\partial S_E. P_3,E has Conley-Zehnder index 3 and spans a one parameter family of planes in S_E \\setmin...
International Nuclear Information System (INIS)
Anantharaman, Rahul; Abbas, Own Syed; Gundersen, Truls
2006-01-01
Pinch Analysis, Exergy Analysis and Optimization have all been used independently or in combination for the energy integration of process plants. In order to address the issue of energy integration, taking into account composition and pressure effects, the concept of energy level as proposed by [X. Feng, X.X. Zhu, Combining pinch and exergy analysis for process modifications, Appl. Therm. Eng. 17 (1997) 249] has been modified and expanded in this work. We have developed a strategy for energy integration that uses process simulation tools to define the interaction between the various subsystems in the plant and a graphical technique to help the engineer interpret the results of the simulation with physical insights that point towards exploring possible integration schemes to increase energy efficiency. The proposed graphical representation of energy levels of processes is very similar to the Composite Curves of Pinch Analysis-the interpretation of the Energy Level Composite Curves reduces to the Pinch Analysis case when dealing with heat transfer. Other similarities and differences are detailed in this work. Energy integration of a methanol plant is taken as a case study to test the efficacy of this methodology. Potential integration schemes are identified that would have been difficult to visualize without the help of the new graphical representation
The covalent effect on the energy levels of d3 ions in tetragonal compounds
International Nuclear Information System (INIS)
Li, Dong-Yang; Du, Mao-Lu
2015-01-01
For d 3 ions in covalent compounds with tetragonal symmetry, this paper presents a complete energy matrix, in which the different covalence of t 2 and e orbitals is considered not only in the electrostatic repulsions part of energy matrix elements but also in the crystal-field potential part of energy matrix elements. With taking and no taking the crystal field parameter B 00 0 into account, the effect of covalence on the energy levels of d 3 ions system were investigated, respectively. The investigation shows that it is very necessary for considering the different covalence of t 2 and e orbitals in both electrostatic repulsions part and crystal-field potential part when the optical properties of d 3 ions in strong covalent compounds with tetragonal symmetry is investigated. On the other hand, the crystal field parameter B 00 0 has a significant effect on the energy levels, and should be considered in investigations of d 3 ions in strong covalent compounds with tetragonal symmetry. Application to calculating the energy levels for Co 2+ in CdGa 2 Se 4 , the calculated results are in agreement with the experiment data
Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L
Energy Technology Data Exchange (ETDEWEB)
Agustia, Yuda Virgantara, E-mail: yuda.mechanical.engineer@student.uns.ac.id; Suyitno,, E-mail: suyitno@uns.ac.id; Sutanto, Bayu, E-mail: bayu.sutanto@student.uns.ac.id [Department of Mechanical Engineering, Sebelas Maret University, Jl. Ir. Sutami 36 A, Surakarta (Indonesia); Arifin, Zainal, E-mail: zainal-a@uns.ac.id [Department of Mechanical Engineering, Sebelas Maret University, Jl. Ir. Sutami 36 A, Surakarta (Indonesia); Department of Mechanical Engineering, Brawijaya University, Malang (Indonesia)
2016-03-29
The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, E{sub HOMO} and E{sub LUMO} was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where E{sub red} = −0.37V, E{sub LUMO} = −4.28 eV, E{sub ox} = 1.15V, E{sub HOMO} = −5.83 eV, and E{sub band} {sub gap} = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.
Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L
International Nuclear Information System (INIS)
Agustia, Yuda Virgantara; Suyitno,; Sutanto, Bayu; Arifin, Zainal
2016-01-01
The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, E_H_O_M_O and E_L_U_M_O was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where E_r_e_d = −0.37V, E_L_U_M_O = −4.28 eV, E_o_x = 1.15V, E_H_O_M_O = −5.83 eV, and E_b_a_n_d _g_a_p = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.
Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L.
Agustia, Yuda Virgantara; Suyitno, Arifin, Zainal; Sutanto, Bayu
2016-03-01
The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, EHOMO and ELUMO was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where Ered = -0.37V, ELUMO = -4.28 eV, Eox = 1.15V, EHOMO = -5.83 eV, and Eband gap = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.
Energy Levels and Spectral Lines of Li Atoms in White Dwarf Strength Magnetic Fields
Zhao, L. B.
2018-04-01
A theoretical approach based on B-splines has been developed to calculate atomic structures and discrete spectra of Li atoms in a strong magnetic field typical of magnetic white dwarf stars. Energy levels are presented for 20 electronic states with the symmetries 20+, 20‑, 2(‑1)+, 2(‑1)‑, and 2(‑2)+. The magnetic field strengths involved range from 0 to 2350 MG. The wavelengths and oscillator strengths for the electric dipole transitions relevant to these magnetized atomic states are reported. The current results are compared to the limited theoretical data in the literature. A good agreement has been found for the lower energy levels, but a significant discrepancy is clearly visible for the higher energy levels. The existing discrepancies of the wavelengths and oscillator strengths are also discussed. Our investigation shows that the spectrum data of magnetized Li atoms previously published are obviously far from meeting requirements of analyzing discrete atomic spectra of magnetic white dwarfs with lithium atmospheres.
Bisri, Satria Zulkarnaen; Degoli, Elena; Spallanzani, Nicola; Krishnan, Gopi; Kooi, Bart Jan; Ghica, Corneliu; Yarema, Maksym; Heiss, Wolfgang; Pulci, Olivia; Ossicini, Stefano; Loi, Maria Antonietta
2014-08-27
Colloidal nanocrystals electronic energy levels are determined by strong size-dependent quantum confinement. Understanding the configuration of the energy levels of nanocrystal superlattices is vital in order to use them in heterostructures with other materials. A powerful method is reported to determine the energy levels of PbS nanocrystal assemblies by combining the utilization of electric-double-layer-gated transistors and advanced ab-initio theory. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Yang, Lei; Lindblad, Rebecka; Gabrielsson, Erik; Boschloo, Gerrit; Rensmo, Håkan; Sun, Licheng; Hagfeldt, Anders; Edvinsson, Tomas; Johansson, Erik M J
2018-04-11
4- tert-Butylpyridine ( t-BP) is commonly used in solid state dye-sensitized solar cells (ssDSSCs) to increase the photovoltaic performance. In this report, the mechanism how t-BP functions as a favorable additive is investigated comprehensively. ssDSSCs were prepared with different concentrations of t-BP, and a clear increase in efficiency was observed up to a maximum concentration and for higher concentrations the efficiency thereafter decreases. The energy level alignment in the complete devices was measured using hard X-ray photoelectron spectroscopy (HAXPES). The results show that the energy levels of titanium dioxide are shifted further away from the energy levels of spiro-OMeTAD as the t-BP concentration is increased. This explains the higher photovoltage obtained in the devices with higher t-BP concentration. In addition, the electron lifetime was measured for the devices and the electron lifetime was increased when adding t-BP, which can be explained by the recombination blocking effect at the surface of TiO 2 . The results from the HAXPES measurements agree with those obtained from density functional theory calculations and give an understanding of the mechanism for the improvement, which is an important step for the future development of solar cells including t-BP.
Energy Technology Data Exchange (ETDEWEB)
Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L. [Dept. de Electricidad y Electrónica, Universidad de Valladolid, Paseo de Belén 15, 47011 Valladolid (Spain); Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G. [Dept. de Física Aplicada III (Electricidad y Electrónica), Univ. Complutense de Madrid, 28040 Madrid (Spain); CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Olea, J. [CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Univ. Politécnica de Madrid, 28040 Madrid (Spain)
2015-12-28
The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known
DEFF Research Database (Denmark)
Kjærgaard, Christian Hauge; Rossmeisl, Jan; Nørskov, Jens Kehlet
2010-01-01
In this paper, we present a method to directly compare the energy levels of intermediates in enzymatic and inorganic oxygen reduction catalysts. We initially describe how the energy levels of a Pt(111) catalyst, operating at pH = 0, are obtained. By a simple procedure, we then convert the energy...... levels of cytochrome c oxidase (CcO) models obtained at physiological pH = 7 to the energy levels at pH = 0, which allows for comparison. Furthermore, we illustrate how different bias voltages will affect the free-energy landscapes of the catalysts. This allows us to determine the so-called theoretical...
Atomic energy levels of the iron-period elements: potassium through nickel
International Nuclear Information System (INIS)
Sugar, J.; Corliss, C.
1985-01-01
Experimentally derived energy levels of the elements from potassium to nickel in all stages of ionization are critically compiled. The data for each level include its position in /cm (relative to the ground state), configuration, term designation, J-value, and, where available, the g-value and two leading percentages of the eigenvector composition in the most appropriate coupling scheme. For the He I and H I isoelectronic sequences, calculated level positions are given because they are considered more accurate than the measurements presently available. Ionization energies for each ion are derived either from Rydberg series, extrapolation, or calculation. Complete references are given for the compiled data
Spectrum and energy levels of the sodiumlike ion Sr/sup 27+/
International Nuclear Information System (INIS)
Reader, J.
1986-01-01
The spectrum of Sr/sup 27+/ was observed with a laser-produced plasma and a 2.2-m grazing-incidence spectrograph in the region 12--160 A-circle. From the identification of 37 lines, a system of 27 energy levels of the type 2p 6 nl was determined. The level system includes the configurations ns(n = 3-5), np(n = 3-6), nd(n = 3-7), nf(n = 4-6), and 5g. The ionization energy is determined as 11 188200 +- 1000 cm/sup -1/ (1387.16 +- 0.12 eV)
In I isoelectronic sequence: wavelengths and energy levels for Xe VI through La IX
International Nuclear Information System (INIS)
Kaufman, V.; Sugar, J.
1987-01-01
Spectra of Xe, Cs, Ba, and La produced with a high-voltage spark discharge were observed photographically with the National Bureau of Standards 10.7-m normal- and grazing-incidence spectrographs. Identified lines of the In I isoelectronic sequence were used to determine the energy levels of the 5s 2 5p, 5s5p 2 , 5s 2 5d, and 5s 2 6s configurations. Their interactions with unobserved configurations that include a 4f electron are discussed. Fitted values of the radial energy integrals were determined from the known levels
Measurement of discrete energy-level spectra in individual chemically synthesized gold nanoparticles
DEFF Research Database (Denmark)
Kuemmeth, Ferdinand; Bolotin, Kirill I; Shi, Su-Fei
2008-01-01
We form single-electron transistors from individual chemically synthesized gold nanoparticles, 5-15 nm in diameter, with monolayers of organic molecules serving as tunnel barriers. These devices allow us to measure the discrete electronic energy levels of individual gold nanoparticles that are......, by virtue of chemical synthesis, well-defined in their composition, size and shape. We show that the nanoparticles are nonmagnetic and have spectra in good accord with random-matrix-theory predictions taking into account strong spin-orbit coupling....
New way for determining electron energy levels in quantum dots arrays using finite difference method
Dujardin, F.; Assaid, E.; Feddi, E.
2018-06-01
Electronic states are investigated in quantum dots arrays, depending on the type of cubic Bravais lattice (primitive, body centered or face centered) according to which the dots are arranged, the size of the dots and the interdot distance. It is shown that the ground state energy level can undergo significant variations when these parameters are modified. The results were obtained by means of finite difference method which has proved to be easily adaptable, efficient and precise. The symmetry properties of the lattice have been used to reduce the size of the Hamiltonian matrix.
The energy level splitting for Unharmonic dc SQUID to be used as phase Q-bit
DEFF Research Database (Denmark)
Klenov, Nicolai V.; Kornev, Victor K.; Pedersen, Niels Falsig
2006-01-01
splitting. Threshold condition for the double-well form origin has been determined taking into account the impact of both harmonics. The splitting gap of the ground energy level has been calculated as a function of the harmonic amplitudes for different ratio s of characteristic Josephson energy E......-C to the Coulomb energy E-Q0. It has been shown that the gap value comes to about 7E(Q0) with increase of the ratio s. No external field needed, no bias current required and no circular currents are major advantages of such a qubit. (c) 2006 Elsevier B.V. All rights reserved....
New energy levels of atomic niobium (Nb I) discovered by laser-spectroscopic investigations
Kröger, S.; Windholz, L.; Başar, Gü.; Başar, Gö.
2018-06-01
We report the discovery of 9 previously unknown energy levels of the atomic niobium, all having even parity. Two levels have energies below 19,500 cm-1 and angular momentum J = 3/2, while the energies of the others are located between 39,700 and 43,420 cm-1. The levels were discovered by laser excitation of several unclassified spectral lines in the wavelength range between 554 nm and 650 nm and detection of laser-induced fluorescence with a monochromator.
International Nuclear Information System (INIS)
Ding, X.; Sun, R.; Dong, C.; Koike, F.; Kato, D.; Murakami, I.; Sakaue, H.A.
2017-01-01
The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The study of W 54+ ion provide necessary reference data for the fusion plasma physics as tungsten was chosen to be used as the armour material of the divertor of the ITER project. The ground states [Ne]3s 2 3p 6 3d 2 and first excited states [Ne]3s 2 3p 5 3d 3 of W 54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W 54+ ion. (authors)
Spectrum and energy levels of nine-times ionized strontium [Sr X
International Nuclear Information System (INIS)
Acquista, N.; Reader, J.
1981-01-01
The spectrum of the copperlike ion Sr X was observed with a low-inductance spark in the region 70--630 A on the 10.7--m grazing-incidence spectrograph at the National Bureau of Standards. From the identification of 30 lines, a system of 23 energy levels of the type 3d 10 nl was determined. The level system includes the configurations ns (n = 4--7), np (n = 4--6), nd (n = 4--6), nf (n = 4--6), and ng (n = 5). The 4f 2 F term is inverted. Also identified were 12 transitions of the type 3d 10 4s--3d 9 4s4p and 3d 10 4p--3d 9 4p 2 , permitting the determination of several 3d 9 4s4p and 3d 9 4p 2 levels. The observed 3d 10 nl energy levels and parameters are compared with Hartree--Fock calculations. The ionization energy is determined from the 3d 10 ns and nf series to be 1 430 000 +- 500 cm -1 (177.30 +- 0.06 eV). Data for 3d--4p transitions in Sr IX and Sr XI and 3p--3d transitions in Sr XII are also presented
Energy levels, radiative rates, and lifetimes for transitions in W XL
International Nuclear Information System (INIS)
Aggarwal, Kanti M.; Keenan, Francis P.
2014-01-01
Energy levels and radiative rates are reported for transitions in Br-like tungsten, W XL, calculated with the general-purpose relativistic atomic structure package (GRASP). Configuration interaction (CI) has been included among 46 configurations (generating 4215 levels) over a wide energy range up to 213 Ryd. However, for conciseness results are only listed for the lowest 360 levels (with energies up to ∼43 Ryd), which mainly belong to the 4s 2 4p 5 ,4s 2 4p 4 4d,4s 2 4p 4 4f,4s4p 6 ,4p 6 4d,4s4p 5 4d,4s 2 4p 3 4d 2 , and 4s 2 4p 3 4d4f configurations, and provided for four types of transitions, E1, E2, M1, and M2. Comparisons are made with existing (but limited) results. However, to fully assess the accuracy of our data, analogous calculations have been performed with the flexible atomic code, including an even larger CI than in GRASP. Our energy levels are estimated to be accurate to better than 0.02 Ryd, whereas results for radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions
Spectrum and energy levels of five-times ionized zirconium (Zr VI)
Reader, Joseph; Lindsay, Mark D.
2016-02-01
We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ˜420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ˜135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm-1 (96.38 ± 0.04 eV).
Metabolizable energy levels for meat quails from 15 to 35 days of age
Directory of Open Access Journals (Sweden)
Jorge Cunha Lima Muniz
Full Text Available ABSTRACT: This trial was carried out to evaluate the effects of dietetic metabolizable energy levels on performance and carcass traits of meat quails from 15 to 35 days old. Five hundred sixty, 15-d old, meat quails were randomly assigned to five treatments (2.850; 2.950; 3.050; 3.150 e 3.250kcal of ME kg-1 of diet, with eight replicates and fourteen birds per experimental unit. Feed intake, protein and lysine intake and feed conversion decreased linearly as the metabolizable energy content of diets increased (P0.05 by the treatments. Diets did not influence (P>0.05 carcass traits as dry matter, moisture and protein content in carcass. However a quadratic effect (P<0.04 were observed on carcass fat content. Based on these results, the adequate metabolizable energy level to ensure better meat quails' growth is 3.250kcal of ME kg-1 diet, that corresponds to a metabolizable energy: crude protein ratio of 139,24.
Size-dependent energy levels of InSb quantum dots measured by scanning tunneling spectroscopy.
Wang, Tuo; Vaxenburg, Roman; Liu, Wenyong; Rupich, Sara M; Lifshitz, Efrat; Efros, Alexander L; Talapin, Dmitri V; Sibener, S J
2015-01-27
The electronic structure of single InSb quantum dots (QDs) with diameters between 3 and 7 nm was investigated using atomic force microscopy (AFM) and scanning tunneling spectroscopy (STS). In this size regime, InSb QDs show strong quantum confinement effects which lead to discrete energy levels on both valence and conduction band states. Decrease of the QD size increases the measured band gap and the spacing between energy levels. Multiplets of equally spaced resonance peaks are observed in the tunneling spectra. There, multiplets originate from degeneracy lifting induced by QD charging. The tunneling spectra of InSb QDs are qualitatively different from those observed in the STS of other III-V materials, for example, InAs QDs, with similar band gap energy. Theoretical calculations suggest the electron tunneling occurs through the states connected with L-valley of InSb QDs rather than through states of the Γ-valley. This observation calls for better understanding of the role of indirect valleys in strongly quantum-confined III-V nanomaterials.
Theory of energy level and its application in water-loop heat pump system
International Nuclear Information System (INIS)
Yu, Qi Dong
2017-01-01
Highlights: • Novel theory of saving energy and its application in water loop heat pump. • Reverse energy caused by units to water loop and its solution. • New method for determining the energy-saving range of water loop heat pump. • Capacity model of auxiliary heat source and its size for all building types. • Advice for reducing total energy consumption of water loop heat pump. - Abstract: It is a difficult problem to how to determine the reverse energy caused by units to water loop when a water-loop heat pump (WLHP) is in cooling and heating simultaneous mode, which not only has a great impact on energy-saving rate but also decides the use of auxiliary heat source in winter. This paper presents a theory of energy level to improve the research on WLHP system by using the relationship among building, circulating water and units. In this theory, the circulating water replaces building load as a new method to convert the reverse energy into energy change of circulating water and the equation of energy level also is built to determine the energy-saving range of WLHP system and report the capacity model of auxiliary heat source for all building types. An office building with different auxiliary powers is tested to analyze system operation characteristic and the effect of auxiliary heat source on unit and system and the results validate previous conclusions and suggest that an energy balance should be considered between units and auxiliary power to improve overall operation.
Energy Technology Data Exchange (ETDEWEB)
Ou, Qing-Dong; Li, Chi; Li, Yan-Qing, E-mail: yqli@suda.edu.cn; Tang, Jian-Xin, E-mail: jxtang@suda.edu.cn
2015-10-01
Highlights: • The interface energetics of tandem OLEDs is overviewed. • Energy level alignment in CGLs is addressed via photoemission spectroscopy. • The n-type doping effect with cesium compounds is discussed. • Hole injection barrier is dependent on oxygen vacancies in transition metal oxides. • Device lifetime of tandem OLEDs is sensitive to interfacial stability of CGLs. - Abstract: Organic light-emitting diodes (OLEDs) using a tandem structure offer a highly attractive option for the applications of next-generation flat panel displays and solid-state lighting due to the extremely high brightness and efficiency along with the long operational lifetime. In general, reliable information about interface energetics of the charge generation layers (CGLs), which plays the central role in charge generation and carrier injection into the stacked emission units, is highly desirable and advantageous for interface engineering and the performance optimization of tandem OLEDs. In this review, our recent studies on tandem OLEDs are overviewed, especially from interface energetics perspective via photoemission spectroscopy. The electronic structures of various transition metal oxide (TMO)-based CGLs and their role in charge generation process are reviewed, addressing the n-type doping impact of organic layers in CGLs, thermal annealing-induced oxygen vacancy in TMOs, and the interfacial stability of CGLs on the device operational lifetime. The resulting energy level alignments are summarized in correspondence with tandem OLED performance.
Excitation of high energy levels under laser exposure of suspensions of nanoparticles in liquids
Energy Technology Data Exchange (ETDEWEB)
Shafeev, G.A. [Wave Research Center of A.M. Prokhorov General Physics Institute, 38, Vavilov Street, 119991 Moscow (Russian Federation)], E-mail: shafeev@kapella.gpi.ru; Simakin, A.V. [Wave Research Center of A.M. Prokhorov General Physics Institute, 38, Vavilov Street, 119991 Moscow (Russian Federation); Bozon-Verduraz, F. [ITODYS, UMR CNRS 7086, Universite Paris 7-Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France); Robert, M. [Laboratoire d' Electrochimie Moleculaire, UMR CNRS 7591, Universite Paris 7 Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France)
2007-12-15
Laser exposure of suspensions of nanoparticles in liquids leads to excitation of high energy levels in both liquid and nanoparticle material. The emission spectrum of the colloidal solution under exposure of a suspension metallic nanoparticles in water to radiation of a Nd:YAG laser of a picosecond range of pulse duration is discussed. Excitation of nuclear energy levels and neutron release is experimentally studied on the model system of transmutation of Hg into Au that occurs under exposure of Hg nanodrops suspended in D{sub 2}O. The proposed mechanism involves: (i) emission of X-ray photons by Hg nanoparticles upon laser exposure, leading to neutron release from D{sub 2}O, (ii) initiation of Hg {yields} Au transmutation by the capture of neutrons. The effect of transmutation is more pronounced using {sup 196}Hg isotope instead of Hg of natural isotope composition. The influence of laser pulse duration on the degree of transmutation (from fs through ns range) is discussed.
Delayed dopamine signaling of energy level builds appetitive long-term memory in Drosophila.
Musso, Pierre-Yves; Tchenio, Paul; Preat, Thomas
2015-02-24
Sensory cues relevant to a food source, such as odors, can be associated with post-ingestion signals related either to food energetic value or toxicity. Despite numerous behavioral studies, a global understanding of the mechanisms underlying these long delay associations remains out of reach. Here, we demonstrate in Drosophila that the long-term association between an odor and a nutritious sugar depends on delayed post-ingestion signaling of energy level. We show at the neural circuit level that the activity of two pairs of dopaminergic neurons is necessary and sufficient to signal energy level to the olfactory memory center. Accordingly, we have identified in these dopaminergic neurons a delayed calcium trace that correlates with appetitive long-term memory formation. Altogether, these findings demonstrate that the Drosophila brain remembers food quality through a two-step mechanism that consists of the integration of olfactory and gustatory sensory information and then post-ingestion energetic value. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Sun, S.-S.
2005-01-01
Optimum frontier orbital energy levels and offsets of an organic donor/acceptor binary type photovoltaic material have been analyzed using classic Marcus electron transfer theory in order to achieve the most efficient photo induced charge separation. This study reveals that, an exciton quenching parameter (EQP) yields one optimum donor/acceptor frontier orbital energy offset that equals the sum of the exciton binding energy and the charge separation reorganization energy, where the photo generated excitons are converted into charges most efficiently. A recombination quenching parameter (RQP) yields a second optimum donor/acceptor energy offset where the ratio of charge separation rate constant over charge recombination rate constant becomes largest. It is desirable that the maximum RQP is coincidence or close to the maximum EQP. A third energy offset is also identified where charge recombination becomes most severe. It is desirable that the most severe charge recombination offset is far away from maximum EQP offset. These findings are very critical for evaluating and fine tuning frontier orbital energy levels of a donor/acceptor pair in order to realize high efficiency organic photovoltaic materials
Energy Levels and Co-evolution of Product Innovation in Supply Chain Clusters
Ji, Guojun
In the last decade supply chain clusters phenomenon has emerged as a new approach in product innovation studies. This article makes three contributions to the approach by addressing some open issues. The first contribution is to explicitly incorporate the energy levels in the analysis. Hence, the unit of analysis is widened from sectoral systems of innovation to socio-technical systems. Hence, the unit of analysis is widened from sectoral systems of innovation to socio-technical systems. The second contribution is to suggest an analytical distinction between different evolution method, actors involved in them, and the institutions which guide actor's perceptions and activities. Thirdly, the article opens up the black box of institutions, making them an integral part of supply chain. The article provides a coherent conceptual multi-level perspective, using insights from sociology, institutional theory and innovation studies. The perspective is particularly useful to analyze long-term dynamics supply chain clusters phenomenon, shifts from one energy level to another and the co-evolution of product innovation.
Spectrum and energy levels of five-times ionized zirconium (Zr VI)
International Nuclear Information System (INIS)
Reader, Joseph; Lindsay, Mark D
2016-01-01
We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ∼420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s 2 4p 5 , 4s4p 6 , 4s 2 4p 4 4d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s 2 4p 4 5d are tentative. We determined Ritz-type wavelengths for ∼135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree–Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm −1 (96.38 ± 0.04 eV). (paper)
International Nuclear Information System (INIS)
Teixeira, R.R.P.
1988-01-01
Calculations with the Unified Model (vibrator coupled to two particles), of the energy levels and the eletromagnetic properties have been performed and compared with the twelve pair isotopes from tellurium with A between 112 and 134. The results were analysed using as particles interaction: pairing and SDI (Surface Delta Interaction). The SDI and 3 fonons collective states were used in the fittings, and a syntematic comparison between the theoretical and experimental results was made. The dependence of the results with the model parameters was determined, through large variation sof them. Calculations using 4 fonons have been made, and the importance of the introduced variations in the results was discussed. Calculations have been made in the VAX Computer of the Pelletron at IFUSP. (author) [pt
International Nuclear Information System (INIS)
Redfors, A.
1991-01-01
Magnesiumlike and aluminumlike spectra of the elements calcium - germanium have been obtained through the use of laser-produced plasmas (LPP) and a 3 m normal incidence vacuum spectrograph. The spectral analyses were mainly based on isoelectronic regularities. Intermediate ionization stages of cerium (Ce V) and silicon (SI VI) have also been studied. The light sources in these cases were a sliding spark and a modified version of the LPP. The Eagle spectrograph at the National Institute of Standards and Technology, Gaitherburg, Maryland was used to record the cerium spectrum. Ab initio calculations and least-squares fits of the Slater energy parameters to the experimental energy levels are reported for all investigated spectra. Theoretical predictions of oscillator strengths for Y III and Zr III in the region 1150-3200 AA are presented. The oscillator strengths are needed for abundance determinations of Y 2+ and Zr 2+ in chemically peculiar stars, Cp stars. (65 refs.)
Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface
Directory of Open Access Journals (Sweden)
Shi Chen
2014-08-01
Full Text Available The energy level alignment at the CH3NH3PbI3/copper phthalocyanine (CuPc interface is investigated by X-ray photoelectron spectroscopy (XPS and ultraviolet photoelectron spectroscopy (UPS. XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation – verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH3NH3PbI3, facilitating hole transfer from CH3NH3PbI3 to CuPc. However, subsequent hole extraction from CuPc may be impeded by the downward band bending in the CuPc layer.
Hu, Hong-Wei; Chen, Zhan-Bin; Chen, Wen-Cong; Liu, Xiao-Bin; Fu, Nian; Wang, Kai
2017-11-01
Considering the quantum effects of diffraction and the collective screening effects, the potential of test charge in semiclassical plasmas is derived. It is generalized exponential screened Coulomb potential. Using the Ritz variational method incorporating this potential, the effects of semiclassical plasma on the energy levels and radiative transitions are investigated systematically, taking highly charged H-like ion as an example. The Debye plasma model is also employed for comparison purposes. Comparisons and analysis are made between these two sets of results and the differences are discussed. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.
International Nuclear Information System (INIS)
Zhou, Y.C.; Liu, Z.T.; Tang, J.X.; Lee, C.S.; Lee, S.T.
2009-01-01
The interface energy level alignment between copper phthalocyanine (CuPC) and fullerene (C60), the widely studied donor-acceptor pair in organic photovoltaics (OPVs), on indium-tin oxide (ITO) and Mg substrate was investigated. The CuPC/C60 interface formed on ITO shows a nearly common vacuum level, but a dipole and band bending exist, resulting in a 0.8 eV band offset at the same interface on Mg. This observation indicates that the energy difference between the highest occupied molecular orbital of CuPC and the lowest unoccupied molecular orbital of C60, which dictates the open circuit voltage of the CuPC/C60 OPV, can be tuned by the work function of the substrate. Furthermore, the substrate effect on the energy alignment at the donor/acceptor interface can satisfactorily explain that a device with an anode of a smaller work function can provide a higher open circuit voltage.
Spectrum and energy levels of six-times ionized yttrium (Y VII)
Reader, Joseph
2018-03-01
The spectrum of six-times ionized yttrium, Y VII, was photographed with a sliding-spark discharge on 10.7 m normal- and grazing-incidence spectrographs. The region of observation was 157-824 Å. The observations extend the known configurations 4s24p3, 4s4p4, 4p5, 4s24p25s, 4s24p26s to the nearly complete 4s24p24d configuration. Our results for 4s24p24d significantly revise results of Rahimullah et al (1978 Phys. Scr. 18 96); Ateqad et al (1984 J. Phys. B: At. Mol. Phys. 17 4617). A total of 168 lines and 56 energy levels are now known for this ion. The observed configurations were interpreted with Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. Transition probabilities for all classified lines were calculated with the fitted parameters.
Fine-structure energy levels, oscillator strengths and transition probabilities in Ni XVI
International Nuclear Information System (INIS)
Deb, N.C.; Msezane, A.Z.
2001-01-01
Fine-structure energy levels relative to the ground state, oscillator strengths and transition probabilities for transitions among the lowest 40 fine-structure levels belonging to the configurations 3s 2 3p, 3s3p 2 , 3s 2 3d, 3p 3 and 3s3p3d of Ni XVI are calculated using a large scale CI in program CIV3 of Hibbert. Relativistic effects are included through the Breit-Pauli approximation via spin-orbit, spin-other-orbit, spin-spin, Darwin and mass correction terms. The existing discrepancies between the calculated and measured values for many of the relative energy positions are resolved in the present calculation which yields excellent agreement with measurement. Also, many of our oscillator strengths for allowed and intercombination transitions are in very good agreement with the recommended data by the National Institute of Standard and Technology (NIST). (orig.)
Li, Huashan; Lin, Zhibin; Lusk, Mark T; Wu, Zhigang
2014-10-21
The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.
Isotope shifts in odd and even energy levels of the neutral and singly ionised gadolinium atom
International Nuclear Information System (INIS)
Ahmad, S.A.; Venugopalan, A.; Saksena, G.D.
1979-01-01
Isotope shift studies in the gadolinium spectra have been extended in the region 4140 to 4535 A. Isotope shift Δσ(156 to 160) have been measured in 315 lines of the neutral and singly ionised gadolinium atom using a recording Fabry-Perot Spectrometer and gadolinium samples enriched in 156 Gd and 160 Gd isotopes. Some of the Gd I lines studied involve transitions from newly identified high odd levels of 4f 8 6s6p, 4f 7 5d6s7s and 4f 7 5d 3 configurations to low even levels of 4f 8 6s 2 and 4f 7 6s 2 6p configurations. Electronic configurations of the energy levels have been discussed on the basis of observed isotope shifts. In some cases assigned configurations have been revised and probable configurations have been suggested. (author)
A theoretical study of exciton energy levels in laterally coupled quantum dots
International Nuclear Information System (INIS)
Barticevic, Z; Pacheco, M; Duque, C A; Oliveira, L E
2009-01-01
A theoretical study of the electronic and optical properties of laterally coupled quantum dots, under applied magnetic fields perpendicular to the plane of the dots, is presented. The exciton energy levels of such laterally coupled quantum-dot systems, together with the corresponding wavefunctions and eigenvalues, are obtained in the effective-mass approximation by using an extended variational approach in which the magnetoexciton states are simultaneously obtained. One achieves the expected limits of one single quantum dot, when the distance between the dots is zero, and of two uncoupled quantum dots, when the distance between the dots is large enough. Moreover, present calculations-with appropriate structural dimensions of the two-dot system-are shown to be in agreement with measurements in self-assembled laterally aligned GaAs quantum-dot pairs and naturally/accidentally occurring coupled quantum dots in GaAs/GaAlAs quantum wells.
Wave energy level and geographic setting correlate with Florida beach water quality.
Feng, Zhixuan; Reniers, Ad; Haus, Brian K; Solo-Gabriele, Helena M; Kelly, Elizabeth A
2016-03-15
Many recreational beaches suffer from elevated levels of microorganisms, resulting in beach advisories and closures due to lack of compliance with Environmental Protection Agency guidelines. We conducted the first statewide beach water quality assessment by analyzing decadal records of fecal indicator bacteria (enterococci and fecal coliform) levels at 262 Florida beaches. The objectives were to depict synoptic patterns of beach water quality exceedance along the entire Florida shoreline and to evaluate their relationships with wave condition and geographic location. Percent exceedances based on enterococci and fecal coliform were negatively correlated with both long-term mean wave energy and beach slope. Also, Gulf of Mexico beaches exceeded the thresholds significantly more than Atlantic Ocean ones, perhaps partially due to the lower wave energy. A possible linkage between wave energy level and water quality is beach sand, a pervasive nonpoint source that tends to harbor more bacteria in the low-wave-energy environment. Copyright © 2016 Elsevier Ltd. All rights reserved.
Study on the gain media with four energy level model using two dimensional FDTD method
Energy Technology Data Exchange (ETDEWEB)
Wu, Bo; Sun, Bingbing; Xue, Hui; Xiao, Feng [Key Laboratory of Intelligent Computing and Signal Processing, Anhui University, Hefei 230039 (China); Huang, Zhixiang, E-mail: zxhuang@ahu.edu.cn [Key Laboratory of Intelligent Computing and Signal Processing, Anhui University, Hefei 230039 (China); Wu, Xianliang, E-mail: xlwu@ahu.edu.cn [Key Laboratory of Intelligent Computing and Signal Processing, Anhui University, Hefei 230039 (China); Department of Physics and Electronic Engineering, Hefei Normal University, Hefei 230061 (China)
2013-08-15
A four energy level model is applied to the gain media, which shows possible application to the complex metamaterials system due to its amplification effect. The coupled equations named polarization equation, rate equations of electronic population and Maxwell's equations are used to describe the coupling between the atoms and electromagnetic wave. Population inversion and lasing threshold are investigated using numerical simulations based on a novel finite-difference time-domain (FDTD) treatment of the optical field. The validations of the method are also tested. The numerical results show the good agreement with the classic lasing theory. Our numerical model can be used as an efficient design tool for investigating novel physical phenomena for new laser devices.
An Alternative Derivation of the Energy Levels of the "Particle on a Ring" System
Vincent, Alan
1996-10-01
All acceptable wave functions must be continuous mathematical functions. This criterion limits the acceptable functions for a particle in a linear 1-dimensional box to sine functions. If, however, the linear box is bent round into a ring, acceptable wave functions are those which are continuous at the 'join'. On this model some acceptable linear functions become unacceptable for the ring and some unacceptable cosine functions become acceptable. This approach can be used to produce a straightforward derivation of the energy levels and wave functions of the particle on a ring. These simple wave mechanical systems can be used as models of linear and cyclic delocalised systems such as conjugated hydrocarbons or the benzene ring. The promotion energy of an electron can then be used to calculate the wavelength of absorption of uv light. The simple model gives results of the correct order of magnitude and shows that, as the chain length increases, the uv maximum moves to longer wavelengths, as found experimentally.
Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII
Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man
2014-07-01
Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.
Energy levels of the single excited states in NaI and Na-like ions
International Nuclear Information System (INIS)
El-Sherbini, T.M.; Wahby, A.S.
1987-08-01
Energy levels of the single excited 1s 2 2s 2 2p 6 ns( 2 S), 1s 2 2s 2 2p 6 mp( 2 P), 1s 2 2s 2 2p 6 md( 2 D) and 1s 2 2s 2 2p 6 nf( 2 F); n=4-7, m=3-6 states for NaI and Na-like ions are calculated using the one configuration Hartree-Fock method. Good agreement is obtained between our results for the higher members of the NaI sequence and previous data from photo-absorption and beam foil experiments. (author). 11 refs, 3 figs, 9 tabs
Wavelengths and energy levels of Xe V and Xe VI obtained by collision-based spectroscopy
International Nuclear Information System (INIS)
Larsson, M.O.; Gonzalez, A.M.; Hallin, R.; Heijkenskjoeld, F.; Nystroem, B.; O'Sullivan, G.; Weber, C.; Waennstroem, A.
1996-01-01
We have utilized collision-based spectroscopy to investigate the spectra of Xe V and Xe VI. The radiation emitted following electron capture by 50 keV Xe 5+ and 60 keV Xe 6+ ions impinging on a He (Ar) gas target has been recorded in the 350-6000 (1200-2500) A wavelength region. A number of new energy levels of Xe V and Xe VI have been established from lines identified by us. In particular, we have observed and identified transitions from the 5s 2 5p4f (5s 2 4f) configuration of Xe V (Xe VI). The analysis was supported by Hartree-Fock calculations. (orig.)
The energy level alignment at the CH_3NH_3PbI_3/pentacene interface
International Nuclear Information System (INIS)
Ji, Gengwu; Zhao, Bin; Song, Fei; Zheng, Guanhaojie; Zhang, Xiaonan; Shen, Kongchao; Yang, Yingguo; Chen, Shi; Gao, Xingyu
2017-01-01
Highlights: • The Energy Level Alignment at the CH_3NH_3PbI_3/Pentacene Interface was resolved experimentally. • The downward band bending and the dipole found at the pentacene side would favorably drive holes away from the interface into pentacene. • A ∼0.7 eV offset between pentacene HOMO and CH_3NH_3PbI_3 VBM would be in favor of hole transfer whereas a ∼1.35 eV offset between pentacene LUMO and CH_3NH_3PbI_3 CBM should efficiently block the unwanted electron transfer from perovskite to pentacene. • Pentacene could be a viable hole transfer material candidate on perovskite to be explored in perovskite devices. - Abstract: Pentacene thin film on CH_3NH_3PbI_3 was studied by in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy to determine their interfacial energy level alignment. A 0.2 eV downward band bending together with a 0.1 eV interfacial dipole was found at the pentacene side, whereas there was no band bending found at the CH_3NH_3PbI_3 side. The offset between CH_3NH_3PbI_3 Valance Band Maximum (VBM) and pentacene Highest Occupied Molecular Orbital (HOMO) and that between CH_3NH_3PbI_3 Conduction Band Minimum (CBM) and pentacene Lowest Unoccupied Molecular Orbital (LUMO) was determined to be 0.7 and 1.35 eV, respectively. The band alignment at this interface is favor of efficient hole transfer, which suggests pentacene as a viable HTL candidate to be explored in perovskite solar cells.
Energy Technology Data Exchange (ETDEWEB)
Barseghyan, M.G., E-mail: mbarsegh@ysu.am
2016-11-10
Highlights: • The electron-impurity interaction on energy levels in nanoring have been investigated. • The electron-impurity interaction on far-infrared absorption have been investigated. • The energy levels are more stable for higher values of electric field. - Abstract: The effects of electron-impurity interaction on energy levels and far-infrared absorption in semiconductor nanoring under the action of intense laser and lateral electric fields have been investigated. Numerical calculations are performed using exact diagonalization technique. It is found that the electron-impurity interaction and external fields change the energy spectrum dramatically, and also have significant influence on the absorption spectrum. Strong dependence on laser field intensity and electric field of lowest energy levels, also supported by the Coulomb interaction with impurity, is clearly revealed.
Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.
Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .
2015-08-01
For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK
Discovery of new Praseodymium I energy levels with help of green laser light
Energy Technology Data Exchange (ETDEWEB)
Khan, Shamim; Siddiqui, Imran; Tanweer Iqbal, Syed; Windholz, Laurentius [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A 8010 Graz (Austria)
2012-07-01
The hyperfine structure (hfs) of Praseodymium I spectral lines were experimentally investigated using LIF technique in a hollow cathode discharge lamp. We report here the investigation of 100 spectral lines which resulted in a discovery of 20 new energy levels of even and odd parity. The excitation source is a tunable ring-dye laser system, operated with Coumarin 102. The laser wavelength is tuned to a strong hyperfine component of the investigated spectral line, and fluorescence signals from excited levels are searched. The hfs of the investigated line is recorded by scanning the laser frequency across the investigated region. Magnetic hf interaction constant ''A'' and angular momentum ''J'' of the combining lower and upper levels involved in the formation of the line are evaluated. If one of the combining levels is not known (in most cases upper level), the determined angular momentum ''J'' and hyperfine constant ''A'' are used to identify one of the involved levels (in most cases the lower level) and the energy of the unknown level is determined by using center of mass wave number of line and the energy of the identified level. The level found in this way must explain most of the observed fluorescence wavelengths and the hyperfine structure of the fluorescence lines appearing in FT spectrum.
Studies of energy levels and lifetimes in neutral and ionized light atoms
International Nuclear Information System (INIS)
Huldt, S.
1980-05-01
The spectrum of singly ionized Titanium has been analysed by photographic spectral recordings of the light from a hollow- cathod. 1240 classified lines in the region 1200 A - 11000 A and 202 term values are reported. Lifetimes of the 3p 5 5p levels in neutral Argon have been measured by the High-frequency-Deflection technique considering the trapping of radiation from the excited 3p 5 4s level. Energy levels and lifetimes of excited states have been studied with the beam-foil method for selected ions in the atomic number range 7 - 30. Influence of transition probabilities caused by hyper-fine interaction for low members of the Helium iso-electronic sequence i verified. The oscillator strength for the inter-combination transition ls 2 1S 0 -1s3p 3 p 1 is measured in Beryllium-like Nitrogen, Oxygen and Fluorine. Accurate determinations of lifetimes for some of the lowest excited levels in Si I - Si IV and Zn II are reported. A large fraction of circularly polarized light is seen in the 0 VI n=6-7 hydrogenic transition when a 4 MeV beam of oxygen was passed through a tilted carbon foil. (author)
Eastham, Nicholas D; Logsdon, Jenna L; Manley, Eric F; Aldrich, Thomas J; Leonardi, Matthew J; Wang, Gang; Powers-Riggs, Natalia E; Young, Ryan M; Chen, Lin X; Wasielewski, Michael R; Melkonyan, Ferdinand S; Chang, Robert P H; Marks, Tobin J
2018-01-01
Bulk-heterojunction organic photovoltaic materials containing nonfullerene acceptors (NFAs) have seen remarkable advances in the past year, finally surpassing fullerenes in performance. Indeed, acceptors based on indacenodithiophene (IDT) have become synonymous with high power conversion efficiencies (PCEs). Nevertheless, NFAs have yet to achieve fill factors (FFs) comparable to those of the highest-performing fullerene-based materials. To address this seeming anomaly, this study examines a high efficiency IDT-based acceptor, ITIC, paired with three donor polymers known to achieve high FFs with fullerenes, PTPD3T, PBTI3T, and PBTSA3T. Excellent PCEs up to 8.43% are achieved from PTPD3T:ITIC blends, reflecting good charge transport, optimal morphology, and efficient ITIC to PTPD3T hole-transfer, as observed by femtosecond transient absorption spectroscopy. Hole-transfer is observed from ITIC to PBTI3T and PBTSA3T, but less efficiently, reflecting measurably inferior morphology and nonoptimal energy level alignment, resulting in PCEs of 5.34% and 4.65%, respectively. This work demonstrates the importance of proper morphology and kinetics of ITIC → donor polymer hole-transfer in boosting the performance of polymer:ITIC photovoltaic bulk heterojunction blends. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Directory of Open Access Journals (Sweden)
Manon Morin
2017-10-01
Full Text Available In the bacterium Escherichia coli, the posttranscriptional regulatory system Csr was postulated to influence the transition from glycolysis to gluconeogenesis. Here, we explored the role of the Csr system in the glucose-acetate transition as a model of the glycolysis-to-gluconeogenesis switch. Mutations in the Csr system influence the reorganization of gene expression after glucose exhaustion and disturb the timing of acetate reconsumption after glucose exhaustion. Analysis of metabolite concentrations during the transition revealed that the Csr system has a major effect on the energy levels of the cells after glucose exhaustion. This influence was demonstrated to result directly from the effect of the Csr system on glycogen accumulation. Mutation in glycogen metabolism was also demonstrated to hinder metabolic adaptation after glucose exhaustion because of insufficient energy. This work explains how the Csr system influences E. coli fitness during the glycolysis-gluconeogenesis switch and demonstrates the role of glycogen in maintenance of the energy charge during metabolic adaptation.
Energy Levels of Defects Created in Silicon Supersaturated with Transition Metals
García, H.; Castán, H.; Dueñas, S.; García-Hemme, E.; García-Hernansaz, R.; Montero, D.; González-Díaz, G.
2018-03-01
Intermediate-band semiconductors have attracted much attention for use in silicon-based solar cells and infrared detectors. In this work, n-Si substrates have been implanted with very high doses (1013 cm-2 and 1014 cm-2) of vanadium, which gives rise to a supersaturated layer inside the semiconductor. However, the Mott limit was not exceeded. The energy levels created in the supersaturated silicon were studied in detail by means of thermal admittance spectroscopy. We found a single deep center at energy near E C - 200 meV. This value agrees with one of the levels found for vanadium in silicon. The capture cross-section values of the deep levels were also calculated, and we found a relationship between the capture cross-section and the energy position of the deep levels which follows the Meyer-Neldel rule. This process usually appears in processes involving multiple excitations. The Meyer-Neldel energy values agree with those previously obtained for silicon supersaturated with titanium and for silicon contaminated with iron.
Conjugated polymer energy level shifts in lithium-ion battery electrolytes.
Song, Charles Kiseok; Eckstein, Brian J; Tam, Teck Lip Dexter; Trahey, Lynn; Marks, Tobin J
2014-11-12
The ionization potentials (IPs) and electron affinities (EAs) of widely used conjugated polymers are evaluated by cyclic voltammetry (CV) in conventional electrochemical and lithium-ion battery media, and also by ultraviolet photoelectron spectroscopy (UPS) in vacuo. By comparing the data obtained in the different systems, it is found that the IPs of the conjugated polymer films determined by conventional CV (IPC) can be correlated with UPS-measured HOMO energy levels (EH,UPS) by the relationship EH,UPS = (1.14 ± 0.23) × qIPC + (4.62 ± 0.10) eV, where q is the electron charge. It is also found that the EAs of the conjugated polymer films measured via CV in conventional (EAC) and Li(+) battery (EAB) media can be linearly correlated by the relationship EAB = (1.07 ± 0.13) × EAC + (2.84 ± 0.22) V. The slopes and intercepts of these equations can be correlated with the dielectric constants of the polymer film environments and the redox potentials of the reference electrodes, as modified by the surrounding electrolyte, respectively.
Influence of dense plasma on the energy levels and transition properties in highly charged ions
Chen, Zhan-Bin; Hu, Hong-Wei; Ma, Kun; Liu, Xiao-Bin; Guo, Xue-Ling; Li, Shuang; Zhu, Bo-Hong; Huang, Lian; Wang, Kai
2018-03-01
The studies of the influence of plasma environments on the level structures and transition properties for highly charged ions are presented. For the relativistic treatment, we implemented the multiconfiguration Dirac-Fock method incorporating the ion sphere (IS) model potential, in which the plasma screening is taken into account as a modified interaction potential between the electron and the nucleus. For the nonrelativistic treatment, analytical solutions of the Schrödinger equation with two types of the IS screened potential are proposed. The Ritz variation method is used with hydrogenic wave function as a trial wave function that contains two unknown variational parameters. Bound energies are derived from an energy equation, and the variational parameters are obtained from the minimisation condition of the expectation value of the energy. Numerical results for hydrogen-like ions in dense plasmas are presented as examples. A detailed analysis of the influence of relativistic effects on the energy levels and transition properties is also reported. Our results are compared with available results in the literature showing a good quantitative agreement.
Molecular design of new P3HT derivatives: Adjusting electronic energy levels for blends with PCBM
Energy Technology Data Exchange (ETDEWEB)
Oliveira, Eliezer Fernando [UNESP – Univ Estadual Paulista, POSMAT – Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, Bauru, SP (Brazil); Lavarda, Francisco Carlos, E-mail: lavarda@fc.unesp.br [UNESP – Univ Estadual Paulista, POSMAT – Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, Bauru, SP (Brazil); Faculdade de Ciências, UNESP – Univ Estadual Paulista, Departamento de Física, Av. Eng. Luiz Edmundo Carrijo Coube, 14-01, 17033-360 Bauru, SP (Brazil)
2014-12-15
An intensive search is underway for new materials to make more efficient organic solar cells through improvements in thin film morphology, transport properties, and adjustments to the energy of frontier electronic levels. The use of chemical modifications capable of modifying the electronic properties of materials already known is an interesting approach, as it can, in principle, provide a more adequate adjustment of the frontier electronic levels while preserving properties such as solubility. Based on this idea, we performed a theoretical study of poly(3-hexylthiophene) (P3HT) and 13 new derivatives obtained by substitution with electron acceptor and donor groups, in order to understand how the energy levels of the frontier orbitals are modified. The results show that it is possible to deduce the modification of the electronic levels in accordance with the substituent's acceptor/donor character. We also evaluated how the substituents influence the open circuit voltage and the exciton binding energy. - Highlights: • Prediction of P3HT derivatives properties for bulk-heterojunction solar cells. • Correlating substituent properties with electronic levels of P3HT derivatives. • Fluorinated P3HT improves open circuit voltage and stability.
Spectroscopy and energy level location of the trivalent lanthanides in LiYP4O12
International Nuclear Information System (INIS)
Dorenbos, P.; Shalapska, T.; Stryganyuk, G.; Gektin, A.; Voloshinovskii, A.
2011-01-01
The excitation and emission properties of the lanthanides Ce 3+ , Pr 3+ , Nd 3+ , Sm 3+ , Eu 3+ , Tb 3+ , Er 3+ , Tm 3+ , and Yb 3+ in LiYP 4 O 12 were studied by vacuum ultra-violet spectroscopy at 10 K. It provides information on the energies of 4f-5d excitation and emission bands. In the case of Er 3+ spin forbidden emission was observed. Charge transfer excitation bands were identified for Eu 3+ , Sm 3+ , Tm 3+ , and Yb 3+ , and in the case of Yb 3+ charge transfer luminescence is observed. All data appear to be consistent with each other and have been used to construct a level scheme showing the location of the energy levels of all trivalent and divalent lanthanides in LiYP 4 O 12 . - Research Highlights: → The spectroscopy of most of the trivalent lanthanides in LiYP 4 O 12 is presented for the first time. → Charge transfer luminescence of Yb3+ is reported. → We demonstrate that the energy of the first 4f-5d transition and the charge transfer band agree with predictive models. → For the first time a scheme with the location of all lanthanide states (divalent and trivalent ) w.r.t. de-valence and conduction band of LIP 4 O 12 is presented.
Energy levels distribution in supersaturated silicon with titanium for photovoltaic applications
International Nuclear Information System (INIS)
Pérez, E.; Castán, H.; García, H.; Dueñas, S.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.
2015-01-01
In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and it is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon
Energy levels distribution in supersaturated silicon with titanium for photovoltaic applications
Energy Technology Data Exchange (ETDEWEB)
Pérez, E., E-mail: eduper@ele.uva.es; Castán, H.; García, H.; Dueñas, S.; Bailón, L. [Dept. de Electricidad y Electrónica, Universidad de Valladolid, ETSI Telecomunicación, Paseo de Belén 15, 47011 Valladolid (Spain); Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G. [Dept. de Física Aplicada III (Electricidad y Electrónica), Univ. Complutense de Madrid, 28040 Madrid (Spain); CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Olea, J. [CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Univ. Politécnica de Madrid, 28040 Madrid (Spain)
2015-01-12
In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and it is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon.
Enzyme Supplementation of Broiler Feeds with Reduced Mineral and Energy Levels
Directory of Open Access Journals (Sweden)
JO Nunes
2015-12-01
Full Text Available ABSTRACT An experiment was conducted with the purpose of evaluating enzyme blends on the performance, carcass traits, and bone mineralization of broilers. In total, 928 one-day-old Cobb 500 male chicks of were used. A completely randomized design with four treatments with eight replicates of 29 birds each was adopted. The evaluated treatments were: 1- Positive Control (PC, feed containing the nutritional recommendations of the genetic company's manual; 2- Negative Control (NC, feed with reductions of 75 kcal/kg AME and 0.10 and 0.12 percent points of phosphorus and calcium, respectively; 3 - NC + enzyme blend (amylase + b-glucanase, xylanase, and phytase; 250 g/t of feed and 4 - NC + enzyme complex (phytase, amylase, xylanase, glucanase, pectinase, cellulase, and protease; 200 g/t of feed. Birds fed the diet with reduced nutrient levels (NC presented the worst performance (p0.05 carcass or parts yields. The broilers fed the reduced-nutrient and energy diet presented lower (p<0.05 tibial ash, calcium, and phosphorus contents that the other treatments. The use of enzyme combinations improved the performance of broilers fed diets with reduced nutrient and energy levels.
DEFF Research Database (Denmark)
Hu, Xiao-Lian; Zuo, Li-Jian; Nan, Ya-Xiong
2012-01-01
To lower the HOMO (highest occupied molecular orbital) energy level of polythieno[3,4-b]thiophene (∼−4.5eV), a series of ester-functionalized polythieno[3,4-b]thiophene derivatives (P1–P3) were designed and synthesized by Stille cross coupling reaction. The resulting copolymers exhibited broad...... voltage (Voc) of 0.54V, a short circuit current density (Isc) of 3.3mA/cm2, a fill factor (FF) of 0.57, and a power conversion efficiency (PCE) of 1.02%. A high Voc up to 0.71V was achieved in the solar cell based on a P3:PCBM blend....
Wang, Chunhua; Zhang, Chujun; Tong, Sichao; Xia, Huayan; Wang, Lijuan; Xie, Haipeng; Gao, Yongli; Yang, Junliang
2018-01-01
Efficient planar heterojunction perovskite solar cells (PHJ-PSCs) with an architecture of ITO/PEDOT:PSS/CH3NH3PbI3/PCBM/Al were fabricated by controlling the energy level and thickness of the PEDOT:PSS layer, where the PEDOT:PSS precursor was diluted with deionized water (H2O) and isopropyl alcohol (IPA), i.e. W-PEDOT:PSS and I-PEDOT:PSS. The performance parameters of the PHJ-PSCs showed soaring enhancement after employing W-PEDOT:PSS or I-PEDOT:PSS instead of pristine PEDOT:PSS (P-PEDOT:PSS), resulting in an increase of the power conversion efficiency (PCE) of W-PEDOT:PSS-based PHJ-PSCs to 15.60% from 11.95% for P-PEDOT:PSS-based PHJ-PSCs. The performance improvement results from two aspects. On the one hand, as compared to P-PEDOT:PSS, the occupied molecular orbital energy (HOMO) level of dilute PEDOT:PSS showed an impressive decrease and can well match the valence band of CH3NH3PbI3 film, resulting in less energy loss and a significant improvement in the open-circuit voltage (V oc). On the other hand, the dilute PEDOT:PSS could produce a thinner film as compared with the P-PEDOT:PSS, which also played an important role in the performance of the PHJ-PSCs. Furthermore, the electrochemical impedance spectroscopy (EIS) results indicated that the interface between perovskite and PEDOT:PSS was greatly improved by employing W-PEDOT:PSS or I-PEDOT:PSS, leading to an obvious decrease in the series resistance (R s) and an increase in the recombination resistance (R rec). The research demonstrated that diluting PEDOT:PSS with a common solvent, such as H2O and IPA, is a feasible low-temperature way of achieving efficient PHJ-PSCs.
The effect of protein-energy levels dietary on Kacang goats performances
Directory of Open Access Journals (Sweden)
MuchJi Martawidjaja
1999-10-01
Full Text Available An experiment was done to evaluate the protein-energy requirement for growing Kacang goats. Twelve males and 18 female goats, seven to eight months old were used in this study and randomized into three treatment groups, with four and six animals each, and were kept in individual pens. The treatments used were: R1= Elephant grass (E.G. + concentrate C1 (21% CP; 3.9 Mcal GE/kg, R2 = E.G. + concentrate C2 (17% CP; 3.7 Mcal GE/kg, and R3 = E.G. + concentrate C3 (12% CP; 3.5 Mcal GE/kg, respectively. Fresh Elephant grass was offered in restricted, and concentrate was offered at 3% of body weight. The experiment was carried out for 12 weeks. Data were analysed by using factorial completely randomized design 2x3 (3 rations and 2 sexes. Parameters measured were: feed intake; average daily gain and feed conversion. The results indicated that among treatments there was no significant difference on dry matter (DM and gross energy (GE intake (P>0.05, but crude protein (CP intake of R1 was 23,6% higher than treatment R2; treatment R2 was 38.1% higher than R3 (P0.05, but treatment R1 was 36.9% and significantly higher than R3 (P0.05, but ration R1 was more efficient than R3 (P0.05. It was concluded that protein intake and average daily gain were increased, and feed conversion was more efficient as the crude protein-energy levels increased in the ration. Feed intake and average daily gain of male goats were higher and feed conversion was more efficient than the female goats.
Hyperfine structure measurements and discovery of new energy levels in neutral praseodymium
Energy Technology Data Exchange (ETDEWEB)
Imran, Siddiqui; Khan, Shamim; Syed, Tanweer Iqbal; Gamper, Bettina; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)
2011-07-01
We present here 14 even and 17 odd parity new energy levels of the neutral praseodymium atom. Free praseodymium atoms in ground and excited states are produced in a hollow cathode discharge lamp by cathode sputtering. The hyperfine structure (hfs) of the spectral lines is investigated by the method of laser induced fluorescence (LIF) spectroscopy. As an example of the method used we discuss briefly the finding of the new level at 27304.431 cm{sup -1}, even parity, J=9/2 and A=690(1) MHz. Laser excitation of the line at 6004.23 Aa is performed and a LIF signal is detected at fluorescence lines 5246.709, 5412.95, 5925.10, 6107.88, 6287.02, 6419.16, and 6620.63 A. The hfs is then recorded digitally and fitted to find reliable values of angular momentum J, magnetic and electric quadrupole hyperfine constants A and B for the combining fine structure levels. Assuming an unknown upper level, a lower level is searched in the data base of known levels, having the J and A values determined from the fit procedure. A level with 10654.11 cm{sup -1}, odd parity, J=7/2 and A=169(2) MHz is found. The energy of the upper level is calculated by adding the center of gravity wave number of the excited line to the energy of the lower level. The existence of the new level is checked by at least one additional laser excitation from another known lower level.
Energy level alignment at C{sub 60}/DTDCTB/PEDOT:PSS interfaces in organic photovoltaics
Energy Technology Data Exchange (ETDEWEB)
Yoo, Jisu; Jung, Kwanwook; Jeong, Junkyeong; Hyun, Gyeongho [Institute of Physics and Applied Physics, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722 (Korea, Republic of); Lee, Hyunbok, E-mail: hyunbok@kangwon.ac.kr [Department of Physics, Kangwon National University, Chuncheon-si, Gangwon-do 24341 (Korea, Republic of); Yi, Yeonjin, E-mail: yeonjin@yonsei.ac.kr [Institute of Physics and Applied Physics, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722 (Korea, Republic of)
2017-04-30
Highlights: • The interfacial energy level alignment of C{sub 60}/DTDCTB/PEDOT:PSS was determined via in situ UPS and IPES measurements. • A large photovoltaic gap of 1.30 eV was evaluated between the DTDCTB donor and C{sub 60} acceptor. • A low hole extraction barrier of 0.42 eV from DTDCTB to PEDOT:PSS was evaluated. • The excellent electronic properties of DTDCTB with a narrow band gap were the source of its high OPV power conversion efficiencies. - Abstract: The electronic structure of a narrow band gap small molecule ditolylaminothienyl–benzothiadiazole–dicyanovinylene (DTDCTB), possessing a donor-acceptor-acceptor configuration, was investigated with regard to its application as an efficient donor material in organic photovoltaics (OPVs). The interfacial orbital alignment of C{sub 60}/DTDCTB/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) was determined using in situ ultraviolet photoelectron and inverse photoelectron spectroscopic methods. The ionization energy and electron affinity values of DTDCTB were measured to be 5.27 eV and 3.65 eV, respectively, and thus a very small transport gap of 1.62 eV was evaluated. Large band bending of DTDCTB on PEDOT:PSS was observed, resulting in a low hole extraction barrier. Additionally, the photovoltaic gap between the highest occupied molecular orbital level of the DTDCTB donor and the lowest unoccupied molecular orbital level of the C{sub 60} acceptor was estimated to be 1.30 eV, which is known to be the theoretical maximum open-circuit voltage in OPVs employing the C{sub 60}/DTDCTB active layer. The unique electronic structures of DTDCTB contributed toward the recently reported excellent power conversion efficiencies of OPVs containing a DTDCTB donor material.
Morin, Manon; Ropers, Delphine; Cinquemani, Eugenio; Portais, Jean-Charles; Enjalbert, Brice; Cocaign-Bousquet, Muriel
2017-10-31
In the bacterium Escherichia coli , the posttranscriptional regulatory system Csr was postulated to influence the transition from glycolysis to gluconeogenesis. Here, we explored the role of the Csr system in the glucose-acetate transition as a model of the glycolysis-to-gluconeogenesis switch. Mutations in the Csr system influence the reorganization of gene expression after glucose exhaustion and disturb the timing of acetate reconsumption after glucose exhaustion. Analysis of metabolite concentrations during the transition revealed that the Csr system has a major effect on the energy levels of the cells after glucose exhaustion. This influence was demonstrated to result directly from the effect of the Csr system on glycogen accumulation. Mutation in glycogen metabolism was also demonstrated to hinder metabolic adaptation after glucose exhaustion because of insufficient energy. This work explains how the Csr system influences E. coli fitness during the glycolysis-gluconeogenesis switch and demonstrates the role of glycogen in maintenance of the energy charge during metabolic adaptation. IMPORTANCE Glycogen is a polysaccharide and the main storage form of glucose from bacteria such as Escherichia coli to yeasts and mammals. Although its function as a sugar reserve in mammals is well documented, the role of glycogen in bacteria is not as clear. By studying the role of posttranscriptional regulation during metabolic adaptation, for the first time, we demonstrate the role of sugar reserve played by glycogen in E. coli Indeed, glycogen not only makes it possible to maintain sufficient energy during metabolic transitions but is also the key component in the capacity of cells to resume growth. Since the essential posttranscriptional regulatory system Csr is a major regulator of glycogen accumulation, this work also sheds light on the central role of posttranscriptional regulation in metabolic adaptation. Copyright © 2017 Morin et al.
Wu, Huawei; Zhang, Qing; Hua, Jia; Hua, Xiaolan; Xu, Jianrong
2013-01-01
Background The aim of this study was to determine the optimal monochromatic spectral CT pulmonary angiography (sCTPA) levels to obtain the highest image quality and diagnostic confidence for pulmonary embolism detection. Methods The Institutional Review Board of the Shanghai Jiao Tong University School of Medicine approved this study, and written informed consent was obtained from all participating patients. Seventy-two patients with pulmonary embolism were scanned with spectral CT mode in the arterial phase. One hundred and one sets of virtual monochromatic spectral (VMS) images were generated ranging from 40 keV to 140 keV. Image noise, clot diameter and clot to artery contrast-to-noise ratio (CNR) from seven sets of VMS images at selected monochromatic levels in sCTPA were measured and compared. Subjective image quality and diagnostic confidence for these images were also assessed and compared. Data were analyzed by paired t test and Wilcoxon rank sum test. Results The lowest noise and the highest image quality score for the VMS images were obtained at 65 keV. The VMS images at 65 keV also had the second highest CNR value behind that of 50 keV VMS images. There was no difference in the mean noise and CNR between the 65 keV and 70 keV VMS images. The apparent clot diameter correlated with the keV levels. Conclusions The optimal energy level for detecting pulmonary embolism using dual-energy spectral CT pulmonary angiography was 65–70 keV. Virtual monochromatic spectral images at approximately 65–70 keV yielded the lowest image noise, high CNR and highest diagnostic confidence for the detection of pulmonary embolism. PMID:23667583
Energy utilization of light and heavy weaned piglets subjected to different dietary energy levels
Directory of Open Access Journals (Sweden)
Andréa Machado Leal Ribeiro
Full Text Available ABSTRACT This study was conducted to evaluate the effects of dietary metabolisable energy (ME: 3.25, 3.40, 3.55, or 3.70 Mcal kg−1 and weaning weight (WW: light 4.0±0.7 kg, and heavy: 6.3±0.6 kg on productive response and energy utilization of weaned piglets. Sixty-four male piglets were housed in 32 metabolic cages (two animals per cage during the first 14 d postweaning. At day 15, only one animal per cage was kept until day 28. Body composition, energy, and nutrient deposition rates and energy utilization efficiency were measured through a comparative slaughter procedure. Piglets with light WW had a poorer feed conversion ratio and lower weight gain and feed intake when expressed per live weight. Increased ME led to greater daily fat deposition in the empty bodies (defined as weighted mean of the carcass + organs + blood, no intestinal content, while light WW piglets had a reduced protein deposition. Light WW piglets increased heat production with increased ME, but no effect was seen for the heavy WW piglets. By contrast, heavy WW piglets increased empty body gross energy as ME increased, while no influence was observed on light WW piglets. Increasing dietary energy levels did not contribute to the subsequent growth performance of piglets that were lighter at weaning. The lack of interaction between weaning weight and dietary ME content on growth performance does not support the hypothesis that light piglets at weaning do not exhibit compensatory growth because of limitations in energy intake.
U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...
Wang, Z. H.; Zheng, Q.; Wang, Xiaoguang; Li, Yong
2016-03-01
We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given.
Effect of logarithmic terms on the energy level and wave function of a dtμ system
International Nuclear Information System (INIS)
Zhen, Z.
1990-01-01
The effect of the logarithmic terms on the ground-state energy level and wave function of a dtμ system is investigated. No significant contribution of the logarithmic terms on either the energy level or wave function is found. At the same time, we find the lowest upper bound of the ground-state energy ever obtained by the variational method using the Hylleraas-type trial function and that the corresponding wave function satisfies the cusp condition as r dt →0 automatically to a reasonable accuracy for r<3 (muonic a.u.), where r is the distance between the fused dt nuclear compound and the muon
Systematics of the level density parameters
International Nuclear Information System (INIS)
Ignatyuk, A.V.; Istekov, K.K.; Smirenkin, G.N.
1977-01-01
The excitation energy dependence of nucleus energy-level density is phenomenologically systematized in terms of the Fermi gas model. The analysis has been conducted in the atomic mass number range of A(>=)150, where the collective effects are mostly pronounced. The density parameter a(U) is obtained using data on neutron resonances. To depict energy spectra of nuclear states in the Fermi gas model (1) the contributions from collective rotational and vibrational modes (2), as well as from pair correlations (3) are also taken into account. It is shown, that at excitation energies close to the neutron binding energy all three systematics of a(U) yield practically the same energy-level densities. At high energies only the (2) and (3) systematics are valid, and at energies lower than the neutron binding energy only the last systematics will be adequate
Nave, Gillian
We propose to measure wavelengths, energy levels, and hyperfine structure parameters of Ni II, Mn II, Sc II and other singly-ionized iron-group elements, covering the wavelength range 80 nm to 5500 nm. We shall use archival data from spectrometers at NIST and Kitt Peak National Observatory for spectra above 140 nm. Additional experimental observations will be taken if needed using Fourier transform spectrometers at NIST. Spectra will be taken using our normal incidence grating spectrograph to provide better sensitivity than the FT spectra and to extend the wavelength range down to 80 nm. We aim to produce a comprehensive description of the spectra of all singly-ionized iron- group elements. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. For most singly-ionized iron-group elements available laboratory data have uncertainties an order of magnitude larger than astronomical observations over wide spectra ranges. Some of these laboratory measurements date back to the 1960's. Since then, Fourier transform spectroscopy has made significant progress in improving the accuracy and quantity of data in the UV-vis-IR region, but high quality Fourier transform spectra are still needed for Mn II, Ni II and Sc II. Fourier transform spectroscopy has low sensitivity in the VUV region and is limited to wavelengths above 140 nm. Spectra measured with high-resolution grating spectrographs are needed in this region in order to obtain laboratory data of comparable quality to the STIS and COS spectrographs on the Hubble Space Telescope. Currently, such data exist only for Fe II and Cr II. Lines of Sc II, V II, and Mn II show hyperfine structure, but hyperfine structure parameters have been measured for relatively few lines of these elements. Significant errors can occur if hyperfine structure is neglected when abundances are determined from stellar spectra. Measurements of hyperfine structure parameters will be made using Fourier transform spectroscopy
Random Matrix Theory of the Energy-Level Statistics of Disordered Systems at the Anderson Transition
Canali, C. M.
1995-01-01
We consider a family of random matrix ensembles (RME) invariant under similarity transformations and described by the probability density $P({\\bf H})= \\exp[-{\\rm Tr}V({\\bf H})]$. Dyson's mean field theory (MFT) of the corresponding plasma model of eigenvalues is generalized to the case of weak confining potential, $V(\\epsilon)\\sim {A\\over 2}\\ln ^2(\\epsilon)$. The eigenvalue statistics derived from MFT are shown to deviate substantially from the classical Wigner-Dyson statistics when $A
DEFF Research Database (Denmark)
Lyly, Marika; Ohls, Nora; Lähteenmäki, Liisa
2010-01-01
at different dietary fibre (DF) concentrations, energy levels and viscosity levels. Design: A total of 29 healthy volunteers, age 1939, mean BMI 23.2 kg/m2 participated in this study. Measurement of subjective perceptions (satiety, fullness, hunger, desire to eat something/the sample food and thirst......) was performed during a 180-min period after ingestion of the sample. There were altogether six samples: two beverages without fibre at energy levels 700 and 1,400 kJ; two beverages containing 5 or 10 g oat DF (2.5 and 5 g oat b-glucan, respectively) at energy level 700 kJ, one beverage containing 10 g oat DF/1......,400 kJ and one beverage containing 10 g enzymatically treated oat DF with low viscosity at energy level 700 kJ. Each beverage portion weighted 300 g. The order of the samples was randomised for each subject and evaluated during six separate days. The results are reported in three sets of samples: 'fibre...
The Fourier transform as a signature for chaos in nuclear energy levels
International Nuclear Information System (INIS)
Bybee, C.R.; Mitchell, G.E.; Shriner, J.F. Jr.
1996-01-01
The Fourier transform of the autocorrelation function is an alternative test to characterize level statistics. For GOE statistics there is a suppression of the Fourier transform near the origin; this correlation hole is absent for Poisson statistics. Numerical modeling has been used to quantify the method and determine the dependence of the correlation-hole area on number, density, sampling interval, and fraction of missing or spurious levels. For large N the normalized correlation-hole area is a nearly universal constant and insensitive to missing and spurious levels. However, for the smaller sample sizes typical of nuclear data, application of the FT method yields ambiguous results. (orig.)
The Fourier transform as a signature for chaos in nuclear energy levels
Energy Technology Data Exchange (ETDEWEB)
Bybee, C.R. [North Carolina State Univ., Raleigh, NC (United States)]|[Triangle Universities Nuclear Lab., Durham, NC (United States); Mitchell, G.E. [North Carolina State Univ., Raleigh, NC (United States)]|[Triangle Universities Nuclear Lab., Durham, NC (United States); Shriner, J.F. Jr. [Tennessee Technological Univ., Cookeville (United States)
1996-08-01
The Fourier transform of the autocorrelation function is an alternative test to characterize level statistics. For GOE statistics there is a suppression of the Fourier transform near the origin; this correlation hole is absent for Poisson statistics. Numerical modeling has been used to quantify the method and determine the dependence of the correlation-hole area on number, density, sampling interval, and fraction of missing or spurious levels. For large N the normalized correlation-hole area is a nearly universal constant and insensitive to missing and spurious levels. However, for the smaller sample sizes typical of nuclear data, application of the FT method yields ambiguous results. (orig.)
DEFF Research Database (Denmark)
Garnett, E S; Webber, C E; Coates, G
1977-01-01
The density of a defined volume of the human lung can be measured in vivo by a new noninvasive technique. A beam of gamma-rays is directed at the lung and, by measuring the scattered gamma-rays, lung density is calculated. The density in the lower lobe of the right lung in normal man during quiet...... breathing in the sitting position ranged from 0.25 to 0.37 g.cm-3. Subnormal values were found in patients with emphsema. In patients with pulmonary congestion and edema, lung density values ranged from 0.33 to 0.93 g.cm-3. The lung density measurement correlated well with the findings in chest radiographs...... but the lung density values were more sensitive indices. This was particularly evident in serial observations of individual patients....
Jiang, Weigang; Yu, Runnan; Liu, Zhiyang; Peng, Ruixiang; Mi, Dongbo; Hong, Ling; Wei, Qiang; Hou, Jianhui; Kuang, Yongbo; Ge, Ziyi
2018-01-01
A novel small-molecule acceptor, (2,2'-((5E,5'E)-5,5'-((5,5'-(4,4,9,9-tetrakis(5-hexylthiophen-2-yl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis(4-(2-ethylhexyl)thiophene-5,2-diyl))bis(methanylylidene)) bis(3-hexyl-4-oxothiazolidine-5,2-diylidene))dimalononitrile (ITCN), end-capped with electron-deficient 2-(3-hexyl-4-oxothiazolidin-2-ylidene)malononitrile groups, is designed, synthesized, and used as the third component in fullerene-free ternary polymer solar cells (PSCs). The cascaded energy-level structure enabled by the newly designed acceptor is beneficial to the carrier transport and separation. Meanwhile, the three materials show a complementary absorption in the visible region, resulting in efficient light harvesting. Hence, the PBDB-T:ITCN:IT-M ternary PSCs possess a high short-circuit current density (J sc ) under an optimal weight ratio of donors and acceptors. Moreover, the open-circuit voltage (V oc ) of the ternary PSCs is enhanced with an increase of the third acceptor ITCN content, which is attributed to the higher lowest unoccupied molecular orbital energy level of ITCN than that of IT-M, thus exhibits a higher V oc in PBDB-T:ITCN binary system. Ultimately, the ternary PSCs achieve a power conversion efficiency of 12.16%, which is higher than the PBDB-T:ITM-based PSCs (10.89%) and PBDB-T:ITCN-based ones (2.21%). This work provides an effective strategy to improve the photovoltaic performance of PSCs. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Interface-Induced Renormalization of Electrolyte Energy Levels in Magnesium Batteries
DEFF Research Database (Denmark)
Kumar, Nitin; Siegel, Donald J.
2016-01-01
A promising strategy for increasing the energy density of Li-ion batteries is to substitute a multivalent (MV) metal for the commonly used lithiated carbon anode. Magnesium is a prime candidate for such a MV battery due to its high volumetric capacity, abundance, and limited tendency to form...... dendrites. One challenge that is slowing the implementation of Mg-based batteries, however, is the development of efficient and stable electrolytes. Computational screening for molecular species having sufficiently wide electrochemical windows is a starting point for the identification of optimal...... of several common electrolyte solvents on model electrodes of relevance for Mg batteries. Many-body perturbation theory calculations based on the G0W0 method were used to predict shifts in a solvent's electronic levels arising from interfacial interactions. In molecules exhibiting large dipole moments, our...
Method for fitting crystal field parameters and the energy level fitting for Yb3+ in crystal SC2O3
International Nuclear Information System (INIS)
Qing-Li, Zhang; Kai-Jie, Ning; Jin, Xiao; Li-Hua, Ding; Wen-Long, Zhou; Wen-Peng, Liu; Shao-Tang, Yin; Hai-He, Jiang
2010-01-01
A method to compute the numerical derivative of eigenvalues of parameterized crystal field Hamiltonian matrix is given, based on the numerical derivatives the general iteration methods such as Levenberg–Marquardt, Newton method, and so on, can be used to solve crystal field parameters by fitting to experimental energy levels. With the numerical eigenvalue derivative, a detailed iteration algorithm to compute crystal field parameters by fitting experimental energy levels has also been described. This method is used to compute the crystal parameters of Yb 3+ in Sc 2 O 3 crystal, which is prepared by a co-precipitation method and whose structure was refined by Rietveld method. By fitting on the parameters of a simple overlap model of crystal field, the results show that the new method can fit the crystal field energy splitting with fast convergence and good stability. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Energy Technology Data Exchange (ETDEWEB)
Rath, Biswanath
1988-01-01
An ansatz is developed to find out an analytical expression for energy levels of anharmonic oscillators of the type V(X) X/sup 2//2 + lambdaXsup(2m) (m = 2,3) which is valid for all values of n and all regimes of parameter space. The procedure is extended to find out an analytical expression for the energy levels of the oscillator V(X) X/sup 2//2 + lambda/sub 1/ X/sup 4/ + lambda/sub 2/ X/sup 6/. As a practical application, it has been applied to calculate the characteristics of radiation emitted due to channeling of relativistic positrons between (100) planes in silicon.
Energy Technology Data Exchange (ETDEWEB)
Carrasco, C.; Carro, M.D.; Fuentetaja, A.; Medel, P.
2017-07-01
A total of 144 beef heifers (218 ± 26.4 kg body weight) were housed in 24 pens (6 animals each) and used in a 168-day feedlot study to evaluate the influence of cereal type and energy level on performance, carcass quality and ruminal fermentation. Four concentrates were formulated according to a 2×2 factorial arrangement of treatments, with two energy levels (1,452 vs. 1,700 kcal net energy/kg) and two main cereals (wheat vs. corn). Concentrate and straw were offered ad libitum. Concentrate intake and body weight were recorded on days 42, 84, 126 and 168. Ruminal fluid was obtained by ruminocentesis from 3 heifers per pen on days 1, 84 and 168; and carcass weight, classification and yield, were determined in the same animals. Heifers fed high-energy diets had lower intake (6.97 vs. 7.29 kg fresh matter/d; p=0.011), and lower concentrate to gain ratio (5.15 vs. 5.66 kg/kg; p=0.002) than those fed low energy concentrates, and tended (p=0.069) to be heavier along the time. Neither carcass yield and classification, nor ruminal pH, volatile fatty acids nor NH3-N concentrations were affected (p>0.050) by energy level. Total volatile fatty acids concentration tended (p=0.070) to be greater in heifers fed corn-based than wheat-based concentrates. No energy level x cereal type interactions were observed. These results indicate that high energy concentrates decreased feed intake and feed conversion but had minor effects on carcass performance. Cereal type had no effects on performance and ruminal fermentation and no interactions between cereal type and energy were detected.
Nalbantgil, Didem; Tozlu, Murat; Oztoprak, Mehmet Oguz
2018-04-01
This study was done to compare the intrapulpal temperature change generated by different energy levels of Er:YAG laser used during debonding of ceramic brackets and find the most suitable level for clinical use. Eighty polycrystalline alumina brackets were bonded on bovine incisor teeth, which were randomly divided into 4 groups of 20. One group was assigned as control. In the study groups, after laser exposure with 2, 4, or 6 Watt energy levels, brackets were debonded using an Instron Universal Testing machine. Adhesive remnant index (ARI) scores were recorded to evaluate the site of debonding. To assess intrapulpal thermal increase, 60 human premolar teeth that were prepared in the same way, at the same energy levels, by a thermocouple were used. When the debonding forces, intrapulpal temperature increases, and ARI of the groups were examined, statistically significant difference was observed between the groups. Mean temperature increases of 0.67°C ± 0.12°C, 1.25°C ± 0.16°C, and 2.36°C ± 0.23°C were recorded for the 2, 4, and 6 Watt laser groups. The mean shear bond strength was 21.35 ± 3.43 megapascals (MPa) for the control group, whereas they were 8.79 ± 2.47, 3.28 ± 0.73, and 2.46 ± 0.54 MPa for the 2, 4, and 6 Watt laser groups, respectively. Four watts is the most efficient and safe energy level to be used, utilizing Er:YAG laser with water cooling spray for 6 sec by scanning method during debonding of polycrystalline alumina brackets without any carbonization effects and detrimental temperature changes at debond sites.
Energy level quantization in a YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} Josephson junction
Energy Technology Data Exchange (ETDEWEB)
Lombardi, Floriana [Quantum Device Physics Laboratory, Department of Microtechnology and Nanoscience, MC2, Chalmers University of Technology, S-412 96 Goeteborg (Sweden)], E-mail: floriana.lombardi@mc2.chalmers.se; Bauch, Thilo; Cedergren, Karin; Johansson, Jesper; Lindstroem, Tobias [Quantum Device Physics Laboratory, Department of Microtechnology and Nanoscience, MC2, Chalmers University of Technology, S-412 96 Goeteborg (Sweden); Tafuri, Francesco [INFM-Dipartimento Ingegneria dell' Informazione, Seconda Universita di Napoli, Aversa (CE) (Italy); Rotoli, Giacomo [Dipartimento di Energetica, Universita of L' Aquila, Localita Monteluco, L' Aquila (Italy); Delsing, Per; Claeson, Tord [Quantum Device Physics Laboratory, Department of Microtechnology and Nanoscience, MC2, Chalmers University of Technology, S-412 96 Goeteborg (Sweden)
2007-09-01
We have observed energy level quantization in an all high critical temperature superconductor d-wave Josephson junction. From the measurements we have also extracted the quality factor Q of the junction which is of the order of 40. These results indicate that the role of dissipation mechanisms in high temperature superconductors has to be revised, and may also have consequences for the class of solid state 'quiet' quantum bit with longer coherence time.
Lyly, Marika; Ohls, Nora; Lähteenmäki, Liisa; Salmenkallio-Marttila, Marjatta; Liukkonen, Kirsi-Helena; Karhunen, Leila; Poutanen, Kaisa
2010-01-01
Background: Soluble fibre has been proposed to suppress appetite-related perceptions and it could thus contribute favourably to the regulation of energy intake and the increasing obesity problem. Objective: To investigate the effect of an oat ingredient rich in b-glucan on perceived satiety at different dietary fibre (DF) concentrations, energy levels and viscosity levels. Design: A total of 29 healthy volunteers, age 1939, mean BMI 23.2 kg/m2 participated in this study. Measurement of subjec...
International Nuclear Information System (INIS)
Carrasco, C.; Carro, M.D.; Fuentetaja, A.; Medel, P.
2017-01-01
A total of 144 beef heifers (218 ± 26.4 kg body weight) were housed in 24 pens (6 animals each) and used in a 168-day feedlot study to evaluate the influence of cereal type and energy level on performance, carcass quality and ruminal fermentation. Four concentrates were formulated according to a 2×2 factorial arrangement of treatments, with two energy levels (1,452 vs. 1,700 kcal net energy/kg) and two main cereals (wheat vs. corn). Concentrate and straw were offered ad libitum. Concentrate intake and body weight were recorded on days 42, 84, 126 and 168. Ruminal fluid was obtained by ruminocentesis from 3 heifers per pen on days 1, 84 and 168; and carcass weight, classification and yield, were determined in the same animals. Heifers fed high-energy diets had lower intake (6.97 vs. 7.29 kg fresh matter/d; p=0.011), and lower concentrate to gain ratio (5.15 vs. 5.66 kg/kg; p=0.002) than those fed low energy concentrates, and tended (p=0.069) to be heavier along the time. Neither carcass yield and classification, nor ruminal pH, volatile fatty acids nor NH3-N concentrations were affected (p>0.050) by energy level. Total volatile fatty acids concentration tended (p=0.070) to be greater in heifers fed corn-based than wheat-based concentrates. No energy level x cereal type interactions were observed. These results indicate that high energy concentrates decreased feed intake and feed conversion but had minor effects on carcass performance. Cereal type had no effects on performance and ruminal fermentation and no interactions between cereal type and energy were detected.
Yuan, Conghui; Wu, Tong; Mao, Jie; Chen, Ting; Li, Yuntong; Li, Min; Xu, Yiting; Zeng, Birong; Luo, Weiang; Yu, Lingke; Zheng, Gaofeng; Dai, Lizong
2018-06-20
Core-shell structures are of particular interest in the development of advanced composite materials as they can efficiently bring different components together at nanoscale. The advantage of this structure greatly relies on the crucial design of both core and shell, thus achieving an intercomponent synergistic effect. In this report, we show that decorating semiconductor nanocrystals with a boronate polymer shell can easily achieve programmable core-shell interactions. Taking ZnO and anatase TiO 2 nanocrystals as inner core examples, the effective core-shell interactions can narrow the band gap of semiconductor nanocrystals, change the HOMO and LUMO levels of boronate polymer shell, and significantly improve the carrier density of core-shell particles. The hole mobility of core-shell particles can be improved by almost 9 orders of magnitude in comparison with net boronate polymer, while the conductivity of core-shell particles is at most 30-fold of nanocrystals. The particle engineering strategy is based on two driving forces: catechol-surface binding and B-N dative bonding and having a high ability to control and predict the shell thickness. Also, this approach is applicable to various inorganic nanoparticles with different components, sizes, and shapes.
Marinado, Tannia; Hagberg, Daniel P; Hedlund, Maria; Edvinsson, Tomas; Johansson, Erik M J; Boschloo, Gerrit; Rensmo, Håkan; Brinck, Tore; Sun, Licheng; Hagfeldt, Anders
2009-01-07
Three new sensitizers for photoelectrochemical solar cells were synthesized consisting of a triphenylamine donor, a rhodanine-3-acetic acid acceptor and a polyene connection. The conjugation length was systematically increased, which resulted in two effects: first, it led to a red-shift of the optical absorption of the dyes, resulting in an improved spectral overlap with the solar spectrum. Secondly, the oxidation potential decreased systematically. The excited state levels were, however, calculated to be nearly stationary. The experimental trends were in excellent agreement with density functional theory (DFT) computations. The photovoltaic performance of this set of dyes as sensitizers in mesoporous TiO2 solar cells was investigated using electrolytes containing the iodide/triiodide redox couple. The dye with the best absorption characteristics showed the poorest solar cell efficiency, due to losses by recombination of electrons in TiO2 with triiodide. Addition of 4-tert butylpyridine to the electrolyte led to a strongly reduced photocurrent for all dyes due to a reduced electron injection efficiency, caused by a 0.15 V negative shift of the TiO2 conduction band potential.
Distribution of energy levels of quantum free particle on the Liouville surface and trace formulae
International Nuclear Information System (INIS)
Bleher, P.M.; Kosygin, D.V.; Sinai, Y.G.
1995-01-01
We consider the Weyl asymptotic formula [{E n ≤R 2 }=Area Q.R 2 /(4π)+n(R), for eigenvalues of the Laplace-Beltrami operator on a two-dimensional torus Q with a Liouville metric which is in a sense the most general case of an integrable metric. We prove that if the surface Q is non-degenerate then the remainder term n(R) has the form n(R)=R 1/2 θ(R), where θ(R) is an almost periodic function of the Besicovitch class B 1 , and the Fourier amplitudes and the Fourier frequencies of θ(R) can be expressed via lengths of closed geodesics on Q and other simple geometric characteristics of these geodesics. We prove then that if the surface Q is generic then the limit distribution of θ(R) has a density p(t), which is an entire function of t possessing an asymptotics on a real line, logp(t)∝-C ± t 4 as t→±∞. An explicit expression for the Fourier transform of p(t) via Fourier amplitudes of θ(R) is also given. We obtain the analogue of the Guillemin-Duistermaat trace formula for the Liouville surfaces and discuss its accuracy. (orig.)
Random matrix theory of the energy-level statistics of disordered systems at the Anderson transition
Energy Technology Data Exchange (ETDEWEB)
Canali, C M
1995-09-01
We consider a family of random matrix ensembles (RME) invariant under similarity transformations and described by the probability density P(H) exp[-TrV(H)]. Dyson`s mean field theory (MFT) of the corresponding plasma model of eigenvalues is generalized to the case of weak confining potential, V(is an element of) {approx} A/2 ln{sup 2}(is an element of). The eigenvalue statistics derived from MFT are shown to deviate substantially from the classical Wigner-Dyson statistics when A < 1. By performing systematic Monte Carlo simulations on the plasma model, we compute all the relevant statistical properties of the RME with weak confinement. For A{sub c} approx. 0.4 the distribution function of the level spacings (LSDF) coincides in a large energy window with the energy LSDF of the three dimensional Anderson model at the metal-insulator transition. For the same A = A{sub c}, the RME eigenvalue-number variance is linear and its slope is equal to 0.32 {+-} 0.02, which is consistent with the value found for the Anderson model at the critical point. (author). 51 refs, 10 figs.
Random matrix theory of the energy-level statistics of disordered systems at the Anderson transition
International Nuclear Information System (INIS)
Canali, C.M.
1995-09-01
We consider a family of random matrix ensembles (RME) invariant under similarity transformations and described by the probability density P(H) exp[-TrV(H)]. Dyson's mean field theory (MFT) of the corresponding plasma model of eigenvalues is generalized to the case of weak confining potential, V(is an element of) ∼ A/2 ln 2 (is an element of). The eigenvalue statistics derived from MFT are shown to deviate substantially from the classical Wigner-Dyson statistics when A c approx. 0.4 the distribution function of the level spacings (LSDF) coincides in a large energy window with the energy LSDF of the three dimensional Anderson model at the metal-insulator transition. For the same A = A c , the RME eigenvalue-number variance is linear and its slope is equal to 0.32 ± 0.02, which is consistent with the value found for the Anderson model at the critical point. (author). 51 refs, 10 figs
Energy Technology Data Exchange (ETDEWEB)
Cui, Rongzhen; Zhou, Liang, E-mail: zhoul@ciac.ac.cn; Jiang, Yunlong; Li, Yanan; Zhao, Xuesen; Zhang, Hongjie, E-mail: hongjie@ciac.ac.cn
2015-10-15
In this work, we aim to further improve the electroluminescent (EL) performances of a yellow light-emitting iridium(III) complex by designing double light-emitting layers (EMLs) devices having stepwise energy levels. Compared with single-EML devices, these designed double-EML devices showed improved EL efficiency and brightness attributed to better balance in carriers. In addition, the stepwise distribution in energy levels of host materials is instrumental in broadening the recombination zone, thus delaying the roll-off of EL efficiency. Based on the investigation of carriers' distribution, device structure was further optimized by adjusting the thickness of deposited layers. Finally, yellow EL device (Commission Internationale de l'Eclairage (CIE) coordinates of (0.446, 0.542)) with maximum current efficiency, power efficiency and brightness up to 78.62 cd/A (external quantum efficiency (EQE) of 21.1%), 82.28 lm/W and 72,713 cd/m{sup 2}, respectively, was obtained. Even at the high brightness of 1000 cd/m{sup 2}, EL efficiency as high as 65.54 cd/A (EQE=17.6%) can be retained. - Highlights: • Yellow electroluminescent devices were designed and fabricated. • P-type and n-type materials having stepwise energy levels were chosen as host materials. • Better balance of holes and electrons causes the enhanced efficiencies. • Improved carriers' trapping suppresses the emission of host material.
Position-dependent energy-level shifts of an accelerated atom in the presence of a boundary
International Nuclear Information System (INIS)
Zhu Zhiying; Yu Hongwei
2010-01-01
We consider a uniformly accelerated atom interacting with a vacuum electromagnetic field in the presence of an infinite conducting plane boundary and calculate separately the contributions of vacuum fluctuations and radiation reaction to the atomic energy-level shift. We analyze in detail the behavior of the total energy shift in three different regimes of the distance in both the low-acceleration and high-acceleration limits. Our results show that, in general, an accelerated atom does not behave as if immersed in a thermal bath at the Unruh temperature in terms of the atomic energy-level shifts, and the effect of the acceleration on the atomic energy-level shifts may in principle become appreciable in certain circumstances, although it may not be realistic for actual experimental measurements. We also examine the effects of the acceleration on the level shifts when the acceleration is of the order of the transition frequency of the atom and we find some features which differ from what was obtained in the existing literature.
International Nuclear Information System (INIS)
Caswell, W.E.
1979-01-01
We introduce a generalization of Wick-ordering which maps the anharmonic oscillator (AO) Hamiltonian for mass m and coupling lambda exactly into a ''Wick-ordered'' Hamiltonian with an effective mass M which is a simple analytic function of lambda and m. The effective coupling Λ=lambda/M 3 is bounded. We transform the AO perturbation series in lambda into one in Λ. This series may then be summed using Borel summation methods. We also introduce a new summation method for the AO series (which is a practical necessity to obtain accurate energy levels of the excited states). We obtain a numerical accuracy for (E/sub P/T--E/sub e/xact)/ E/sub e/xact of at least 10 -7 (using 20 orders of perturbation theory) and 10 -3 (using only 2 orders of perturbation theory) for all couplings and all energy levels of the anharmonic oscillator. The methods are applicable also to the double-well potential (DWP, the AO with a negative mass-squared). The only change is that now the effective coupling is unbounded as lambda→0. The series in Λ is, however, still summable. The relative accuracy in the energy levels for 20 orders of perturbation theory varies from 10 -7 for large coupling to 1% at lambda=0.1 and to 10% at lambda=.05. We also present results for the sextic oscillator
Jin, S S; Jin, Y H; Jang, J C; Hong, J S; Jung, S W; Kim, Y Y
2018-03-01
This experiment was to evaluate the effects of the dietary energy levels on the physiological parameters and reproductive performance during gestation over three parities in sows. A total of 52 F1 gilts (Yorkshire×Landrace) were allotted to one of four dietary treatments using a completely randomized design. The treatments contained 3,100, 3,200, 3,300, or 3,400 kcal of metabolizable energy (ME)/kg diet but feed was provided at 2.0, 2.2, and 2.4 kg/d in the first, second and third parity, respectively. The body weight and body weight gain during gestation increased as the dietary energy level increased (penergy level increased (penergy treatment diet (p = 0.08) and the body weight, body weight gain were increased by dietary energy level during gestation (penergy level increased at the first parity (penergy intake of gestating sows should be 6,400 or 6,600 kcal of ME/d, 7,040 or 7,260 kcal of ME/d, and 7,680 or 7,920 kcal of ME/d for parity 1, 2, and 3, respectively.
Azarov, V. I.; Kramida, A.; Vokhmentsev, M. Ya.
2018-04-01
The article describes a Java program that can be used in a user-friendly way to visually identify spectral lines observed in complex spectra with theoretically predicted transitions between atomic or molecular energy levels. The program arranges various information about spectral lines and energy levels in such a way that line identification and determination of positions of experimentally observed energy levels become much easier tasks that can be solved fast and efficiently.
Ding, Chao; Zhang, Yaohong; Liu, Feng; Nakazawa, Naoki; Huang, Qingxun; Hayase, Shuzi; Ogomi, Yuhei; Toyoda, Taro; Wang, Ruixiang; Shen, Qing
2017-09-22
Using spatial energy-level gradient engineering with quantum dots (QDs) of different sizes to increase the generated carrier collection at the junction of a QD heterojunction solar cell (QDHSC) is a hopeful route for improving the energy-conversion efficiency. However, the results of current related research have shown that a variable band-gap structure in a QDHSC will create an appreciable increase, not in the illumination current density, but rather in the fill factor. In addition, there are a lack of studies on the mechanism of the effect of these graded structures on the photovoltaic performance of QDHSCs. This study presents the development of air atmosphere solution-processed TiO 2 /PbS QDs/Au QDHSCs by engineering the energy-level alignment (ELA) of the active layer via the use of a sorted order of differently sized QD layers (four QD sizes). In comparison to the ungraded device (without the ELA), the optimized graded architecture (containing the ELA) solar cells exhibited a great increase (21.4%) in short-circuit current density (J sc ). As a result, a J sc value greater than 30 mA/cm 2 has been realized in planar, thinner absorption layer (∼300 nm) PbS QDHSCs, and the open-circuit voltage (V oc ) and power-conversion efficiency (PCE) were also improved. Through characterization by the light intensity dependences of the J sc and V oc and transient photovoltage decay, we find that (i) the ELA structure, serving as an electron-blocking layer, reduces the interfacial recombination at the PbS/anode interface, and (ii) the ELA structure can drive more carriers toward the desirable collection electrode, and the additional carriers can fill the trap states, reducing the trap-assisted recombination in the PbS QDHSCs. This work has clearly elucidated the mechanism of the recombination suppression in the graded QDHSCs and demonstrated the effects of ELA structure on the improvement of J sc . The charge recombination mechanisms characterized in this work would be
... Density Exam/Testing › Low Bone Density Low Bone Density Low bone density is when your bone density ... people with normal bone density. Detecting Low Bone Density A bone density test will determine whether you ...
Villarroel, Mario; Castro, Ruth; Junod, Julio
2003-06-01
The goal of this present study was the development of an optimized formula of damask marmalade low in calories applying Taguchi methodology to improve the quality of this product. The selection of this methodology lies on the fact that in real life conditions the result of an experiment frequently depends on the influence of several variables, therefore, one expedite way to solve this problem is utilizing factorial desings. The influence of acid, thickener, sweetener and aroma additives, as well as time of cooking, and possible interactions among some of them, were studied trying to get the best combination of these factors to optimize the sensorial quality of an experimental formulation of dietetic damask marmalade. An orthogonal array L8 (2(7)) was applied in this experience, as well as level average analysis was carried out according Taguchi methodology to determine the suitable working levels of the design factors previously choiced, to achieve a desirable product quality. A sensory trained panel was utilized to analyze the marmalade samples using a composite scoring test with a descriptive acuantitative scale ranging from 1 = Bad, 5 = Good. It was demonstrated that the design factors sugar/aspartame, pectin and damask aroma had a significant effect (p < 0.05) on the sensory quality of the marmalade with 82% of contribution on the response. The optimal combination result to be: citric acid 0.2%; pectin 1%; 30 g sugar/16 mg aspartame/100 g, damask aroma 0.5 ml/100 g, time of cooking 5 minutes. Regarding chemical composition, the most important results turned out to be the decrease in carbohydrate content compaired with traditional marmalade with a reduction of 56% in coloric value and also the amount of dietary fiber greater than similar commercial products. Assays of storage stability were carried out on marmalade samples submitted to different temperatures held in plastic bags of different density. Non percetible sensorial, microbiological and chemical changes
International Nuclear Information System (INIS)
Ignatyuk, A.V.
1998-01-01
For any applications of the statistical theory of nuclear reactions it is very important to obtain the parameters of the level density description from the reliable experimental data. The cumulative numbers of low-lying levels and the average spacings between neutron resonances are usually used as such data. The level density parameters fitted to such data are compiled in the RIPL Starter File for the tree models most frequently used in practical calculations: i) For the Gilber-Cameron model the parameters of the Beijing group, based on a rather recent compilations of the neutron resonance and low-lying level densities and included into the beijing-gc.dat file, are chosen as recommended. As alternative versions the parameters provided by other groups are given into the files: jaeri-gc.dat, bombay-gc.dat, obninsk-gc.dat. Additionally the iljinov-gc.dat, and mengoni-gc.dat files include sets of the level density parameters that take into account the damping of shell effects at high energies. ii) For the backed-shifted Fermi gas model the beijing-bs.dat file is selected as the recommended one. Alternative parameters of the Obninsk group are given in the obninsk-bs.dat file and those of Bombay in bombay-bs.dat. iii) For the generalized superfluid model the Obninsk group parameters included into the obninsk-bcs.dat file are chosen as recommended ones and the beijing-bcs.dat file is included as an alternative set of parameters. iv) For the microscopic approach to the level densities the files are: obninsk-micro.for -FORTRAN 77 source for the microscopical statistical level density code developed in Obninsk by Ignatyuk and coworkers, moller-levels.gz - Moeller single-particle level and ground state deformation data base, moller-levels.for -retrieval code for Moeller single-particle level scheme. (author)
Directory of Open Access Journals (Sweden)
F. G. Ríos-Rincón
2014-01-01
Full Text Available Forty-eight Pelibuey×Katahdin male intact lambs (23.87±2.84 kg were used in an 84-d feeding trial, with six pens per treatment in a 2×2 factorial design arrangement. The aim of the study was to evaluate the interaction of two dietary energy levels (3.05 and 2.83 Mcal/kg ME and two dietary protein levels (17.5% and 14.5% on growth performance, dietary energetics and carcass traits. The dietary treatments used were: i High protein-high energy (HP-HE; ii High protein-low energy (HP-LE; iii Low protein-high energy (LP-HE, and iv Low protein-low energy (LP-LE. With a high-energy level, dry matter intake (DMI values were 6.1% lower in the low-protein diets, while with low-energy, the DMI values did not differ between the dietary protein levels. Energy levels did not influence the final weight and average daily gain (ADG, but resulted in lower DMI values and higher gain efficiencies. No effects of protein level were detected on growth performance. The observed dietary net energy (NE ratio and observed DMI were closer than expected in all treatments and were not affected by the different treatments. There was an interaction (p2.80 Mcal/kg ME. Providing a level of protein above 14.5% does not improves growth-performance, dietary energetics or carcass dressing percentage.
Energy Technology Data Exchange (ETDEWEB)
Ohana, M., E-mail: mickael.ohana@gmail.com [iCube Laboratory, Université de Strasbourg/CNRS, UMR 7357, 67400 Illkirch (France); Service de Radiologie B, Nouvel Hôpital Civil – Hôpitaux Universitaires de Strasbourg, 1 place de l’hôpital, 67000 Strasbourg (France); Labani, A., E-mail: aissam.labani@chru-strasbourg.fr [Service de Radiologie B, Nouvel Hôpital Civil – Hôpitaux Universitaires de Strasbourg, 1 place de l’hôpital, 67000 Strasbourg (France); Severac, F., E-mail: francois.severac@chru-strasbourg.fr [Département de Biostatistiques et d’Informatique Médicale, Hôpital Civil – Hôpitaux Universitaires de Strasbourg,1 place de l’hôpital, 67000 Strasbourg (France); Jeung, M.Y., E-mail: Mi-Young.Jeung@chru-strasbourg.fr [Service de Radiologie B, Nouvel Hôpital Civil – Hôpitaux Universitaires de Strasbourg, 1 place de l’hôpital, 67000 Strasbourg (France); Gaertner, S., E-mail: Sebastien.Gaertner@chru-strasbourg.fr [Service de Médecine Vasculaire, Nouvel Hôpital Civil – Hôpitaux Universitaires de Strasbourg,1 place de l’hôpital, 67000 Strasbourg (France); and others
2017-03-15
Highlights: • Lung parenchyma aspect varies with the monochromatic energy level in spectral CT. • Optimal diagnostic and image quality is obtained at 50–55 keV. • Mediastinum and parenchyma could be read on the same monochromatic energy level. - Abstract: Objective: To determine the optimal monochromatic energy level for lung parenchyma analysis in spectral CT. Methods: All 50 examinations (58% men, 64.8 ± 16yo) from an IRB-approved prospective study on single-source dual energy chest CT were retrospectively included and analyzed. Monochromatic images in lung window reconstructed every 5 keV from 40 to 140 keV were independently assessed by two chest radiologists. Based on the overall image quality and the depiction/conspicuity of parenchymal lesions, each reader had to designate for every patient the keV level providing the best diagnostic and image quality. Results: 72% of the examinations exhibited parenchymal lesions. Reader 1 picked the 55 keV monochromatic reconstruction in 52% of cases, 50 in 30% and 60 in 18%. Reader 2 chose 50 keV in 52% cases, 55 in 40%, 60 in 6% and 40 in 2%. The 50 and 55 keV levels were chosen by at least one reader in 64% and 76% of all patients, respectively. Merging 50 and 55 keV into one category results in an optimal setting selected by reader 1 in 82% of patients and by reader 2 in 92%, with a 74% concomitant agreement. Conclusion: The best image quality for lung parenchyma in spectral CT is obtained with the 50–55 keV monochromatic reconstructions.
Energy Technology Data Exchange (ETDEWEB)
Zhou, Liang; Jiang, Yunlong; Cui, Rongzhen; Li, Yanan; Zhao, Xuesen; Deng, Ruiping; Zhang, Hongjie, E-mail: hongjie@ciac.ac.cn
2016-02-15
In this study, we aim to further enhance the electroluminescence (EL) performances of trivalent europium complex Eu(TTA){sub 3}phen (TTA=thenoyltrifluoroacetone and phen=1,10-phenanthroline) by designing the device structure with stepwise energy levels. The widely used bipolar material 2,6-bis(3-(9H-carbazol-9-yl)phenyl)pyridine (26DCzPPy) was chosen as host material, while the doping concentration of Eu(TTA){sub 3}phen was optimized to be 4%. To facilitate the injection and transport of holes, MoO{sub 3} anode modification layer and 4,4′,4′′-Tris(carbazole-9-yl)triphenylamine (TcTa) hole transport layer were inserted in sequence. Efficient pure red emission with suppressed efficiency roll-off was obtained attributed to the reduction of accumulation holes, the broadening of recombination zone, and the improved balance of holes and electrons on Eu(TTA){sub 3}phen molecules. Finally, the device with 3 nm MoO{sub 3} and 5 nm TcTa obtained the highest brightness of 3278 cd/m{sup 2}, current efficiency of 12.45 cd/A, power efficiency of 11.50 lm/W, and external quantum efficiency of 6.60%. Such a device design strategy helps to improve the EL performances of emitters with low-lying energy levels and provides a chance to simplify device fabrication processes. - Highlights: • Electroluminescent performances of europium complex were further improved. • Device structure with stepwise energy levels was designed. • Better carriers' balance was realized by improving the injection and transport of holes. • The selection of bipolar host caused the broadening of recombination zone.
Energy Technology Data Exchange (ETDEWEB)
Sinha, Sumona, E-mail: sumona.net.09@gmail.com [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Wang, C.-H. [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Mukherjee, M. [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India)
2017-07-01
Highlights: • Impact of contact contaminations on the energy level alignment and molecular conformation at rubrene/Ag interfaces. • Adventitious contamination layer was acted as a spacer layer between Ag substrate surface and rubrene molecular layer. • Hole injection barrier height and interface dipole at rubrene/Ag interfaces depend on the cleanliness of Ag substrate. • Molecular conformation as well as orientation controlled by the cleanliness of Ag surface. • Resulted different surface morphology of rubrene thin films on unclean and clean Ag substrate. - Abstract: This paper addresses the impact of electrode contaminations on the interfacial energy level alignment, the molecular conformation, orientation and surface morphology deposited organic film at organic semiconductor/noble metal interfaces by varying of film thickness from sub-monolayer to multilayer, which currently draws significant attention with regard to its application in organic electronics. The UHV clean Ag and unclean Ag were employed as substrate whereas rubrene was used as an organic semiconducting material. The photoelectron spectroscopy (XPS and UPS) was engaged to investigate the evolution of interfacial energetics; polarization dependent near edge x-ray absorption fine structure spectroscopy (NEXAFS) was employed to understand the molecular conformation as well as orientation whereas atomic force microscopy (AFM) was used to investigate the surface morphologies of the films. The adventitious contamination layer was acted as a spacer layer between clean Ag substrate surface and rubrene molecular layer. As a consequence, hole injection barrier height, interface dipole as well as molecular-conformation, molecular-orientation and surface morphology of rubrene thin films were found to depend on the cleanliness of Ag substrate. The results have important inferences about the understanding of the impact of substrate contamination on the energy level alignment, the molecular conformation
Ion distributions in RC at different energy levels retrieved from TWINS ENA images by voxel CT tech
Ma, S. Y.; McComas, David; Xu, Liang; Goldstein, Jerry; Yan, Wei-Nan
2012-07-01
Distributions of energetic ions in the RC regions in different energy levels are retrieved by using 3-D voxel CT inversion method from ENA measurements onboard TWINS constellation during the main phase of a moderate geomagnetic storm. It is assumed that the ion flux distribution in the RC is anisotropic in regard to pitch angle which complies with the adiabatic invariance of the magnetic moment as ion moving in the dipole magnetic mirror field. A semi-empirical model of the RC ion distribution in the magnetic equator is quoted to form the ion flux distribution shape at off-equatorial latitudes by mapping. For the concerned time interval, the two satellites of the TWINS flying in double Molnia orbits were located in nearly the same meridian plane at vantage points widely separated in magnetic local time, and both more than 5 RE geocentric distance from the Earth. The ENA data used in this study are differential fluxes averaged over 12 sweeps (corresponding to an interval of 16 min.) at different energy levels ranging from about 1 to 100 keV. The retrieved ion distributions show that in total the main part of the RC is located in the region with L value larger than 4, tending to increase at larger L. It reveals that there are two distinct dominant energy bands at which the ion fluxes are significantly larger magnitude than at other energy levels, one is at lower level around 2 keV and the other at higher level of 30-100 keV. Furthermore, it is very interesting that the peak fluxes of the RC ions at the two energy bands occurred in different magnetic local time, low energy ions appear preferentially in after midnight, while the higher energy ions mainly distributed around midnight and pre-midnight. This new profile is worthy of further study and needs to be demonstrated by more cases.
Tsang, Sai-Wing; Chen, Song; So, Franky
2013-05-07
Using charge modulated electroabsorption spectroscopy (CMEAS), for the first time, the energy level alignment of a polymer:fullerene bulk heterojunction photovoltaic cell is directly measured. The charge-transfer excitons generated by the sub-bandgap optical pumping are coupled with the modulating electric field and introduce subtle changes in optical absorption in the sub-bandgap region. This minimum required energy for sub-bandgap charge genreation is defined as the effective bandgap. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Energy levels and radiative rates for transitions in B-like to F-like Kr ions (Kr XXXII XXVIII)
Aggarwal, K. M.; Keenan, F. P.; Lawson, K. D.
2008-05-01
Energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Kr ions, Kr XXXIII-XXVIII. For the calculations, the fully relativistic GRASP code has been adopted, and results are reported for all electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest 125, 236, 272, 226, and 113 levels of Kr XXXII, Kr XXXI, Kr XXX, Kr XXIX, and Kr XXVIII, respectively, belonging to the n ⩽ 3 configurations. Comparisons are made with earlier available theoretical and experimental results, and some discrepancies have been noted and explained.
Guerrero, Antonio; Marchesi, Luís F; Boix, Pablo P; Ruiz-Raga, Sonia; Ripolles-Sanchis, Teresa; Garcia-Belmonte, Germà; Bisquert, Juan
2012-04-24
Electronic equilibration at the metal-organic interface, leading to equalization of the Fermi levels, is a key process in organic optoelectronic devices. How the energy levels are set across the interface determines carrier extraction at the contact and also limits the achievable open-circuit voltage under illumination. Here, we report an extensive investigation of the cathode energy equilibration of organic bulk-heterojunction solar cells. We show that the potential to balance the mismatch between the cathode metal and the organic layer Fermi levels is divided into two contributions: spatially extended band bending in the organic bulk and voltage drop at the interface dipole layer caused by a net charge transfer. We scan the operation of the cathode under a varied set of conditions, using metals of different work functions in the range of ∼2 eV, different fullerene acceptors, and several cathode interlayers. The measurements allow us to locate the charge-neutrality level within the interface density of sates and calculate the corresponding dipole layer strength. The dipole layer withstands a large part of the total Fermi level mismatch when the polymer:fullerene blend ratio approaches ∼1:1, producing the practical alignment between the metal Fermi level and the charge-neutrality level. Origin of the interface states is linked with fullerene reduced molecules covering the metal contact. The dipole contribution, and consequently the band bending, is highly sensitive to the nature and amount of fullerene molecules forming the interface density of states. Our analysis provides a detailed picture of the evolution of the potentials in the bulk and the interface of the solar cell when forward voltage is applied or when photogeneration takes place.
Quantum effect on the energy levels of Eu2+ doped K2Ca2(SO4)3 nanoparticles.
Salah, Numan; Habib, Sami S; Khan, Zishan H
2010-09-01
Quantum confinement effect on the energy levels of Eu(2+) doped K(2)Ca(2)(SO(4))(3) nanoparticles has been observed. The broad photoluminescence (PL) emission band of Eu(2+) doped K(2)Ca(2)(SO(4))(3) microcrystalline sample observed at ∼436 nm is found to split into two narrow well resolved bands, located at 422 and 445 nm in the nanostructure form of this material. This has been attributed to the reduction in the crystal field strength of the nanomaterials, which results in widening the energy band gap and splitting the broad 4f(6)5d energy level of Eu(2+). Energy band gap values of the micro and nanocrystalline K(2)Ca(2)(SO(4))(3) samples were also determined by measuring the UV-visible absorption spectra. These values are 3.34 and 3.44 eV for the micro and nanocrystalline samples, respectively. These remarkable results suggest that activators having wide emission bands might be subjected to weak crystal strength via nanostructure materials to modify their electronic transitions. This might prove a powerful technique for producing new-advanced materials for use in the fields of solid state lasers and optoelectronic devises.
Yao, Huifeng; Zhang, Hao; Ye, Long; Zhao, Wenchao; Zhang, Shaoqing; Hou, Jianhui
2016-02-17
Dialkylthio-substituted thienyl-benzodithiophene (BDT-DST) was designed and synthesized as a building block to modulate the molecular levels of the conjugated polymers, and three copolymers named PDST-BDD, PDST-TT and PDST-DPP were prepared and applied in polymer solar cells (PSCs). Theoretical calculations and electrochemical cyclic voltammetry (CV) measurement suggested that the dialkylthio group could decrease the molecular energy levels of the resulting polymers distinctly. The open-circuit voltage (VOC) of PSC devices based on PDST-BDD, PDST-TT, and PDST-DPP are as high as 1.0, 0.98, and 0.88 V, respectively, which are ∼0.15 V higher than those of the corresponding alky-substituted analogues. Moreover, the influence of the dialkylthio group on the absorption spectra, crystalline properties, hole mobilities, and blend morphologies of the polymers was also investigated. The results indicate that the dialkythio substitution is an effective method to modulate the molecular energy levels and that the BDT-DST unit has potential for constructing high-efficiency photovoltaic polymers.
Energy levels and electron g-factor of spherical quantum dots with Rashba spin-orbit interaction
International Nuclear Information System (INIS)
Vaseghi, B.; Rezaei, G.; Malian, M.
2011-01-01
We have studied simultaneous effects of Rashba spin-orbit interaction and external electric and magnetic fields on the subbands energy levels and electron g-factor of spherical quantum dots. It is shown that energy eigenvalues strongly depend on the combined effects of external electric and magnetic fields and spin-orbit interaction strength. The more the spin-orbit interaction strength increase, the more the energy eigenvalues increase. Also, we found that the electron g-factor sensitively differers from the bulk value due to the confinement effects. Furthermore, external fields and spin-orbit interaction have a great influence on this important quantity. -- Highlights: → Energy of spherical quantum dots depends on the spin-orbit interaction strength in external electric and magnetic fields. → Spin-orbit interaction shifts the energy levels. → Electron g-factor differs from the bulk value in spherical quantum dots due to the confinement effects. → Electron g-factor strongly depends on the spin-orbit interaction strength in external electric and magnetic fields.
Li, Yongfang
2012-05-15
Bulk heterojunction (BHJ) polymer solar cells (PSCs) sandwich a blend layer of conjugated polymer donor and fullerene derivative acceptor between a transparent ITO positive electrode and a low work function metal negative electrode. In comparison with traditional inorganic semiconductor solar cells, PSCs offer a simpler device structure, easier fabrication, lower cost, and lighter weight, and these structures can be fabricated into flexible devices. But currently the power conversion efficiency (PCE) of the PSCs is not sufficient for future commercialization. The polymer donors and fullerene derivative acceptors are the key photovoltaic materials that will need to be optimized for high-performance PSCs. In this Account, I discuss the basic requirements and scientific issues in the molecular design of high efficiency photovoltaic molecules. I also summarize recent progress in electronic energy level engineering and absorption spectral broadening of the donor and acceptor photovoltaic materials by my research group and others. For high-efficiency conjugated polymer donors, key requirements are a narrower energy bandgap (E(g)) and broad absorption, relatively lower-lying HOMO (the highest occupied molecular orbital) level, and higher hole mobility. There are three strategies to meet these requirements: D-A copolymerization for narrower E(g) and lower-lying HOMO, substitution with electron-withdrawing groups for lower-lying HOMO, and two-dimensional conjugation for broad absorption and higher hole mobility. Moreover, better main chain planarity and less side chain steric hindrance could strengthen π-π stacking and increase hole mobility. Furthermore, the molecular weight of the polymers also influences their photovoltaic performance. To produce high efficiency photovoltaic polymers, researchers should attempt to increase molecular weight while maintaining solubility. High-efficiency D-A copolymers have been obtained by using benzodithiophene (BDT), dithienosilole
Pang, Jing; Li, Fengzhe; Feng, Xu; Yang, Hua; Han, Le; Fan, Yixuan; Nie, Haitao; Wang, Zhen; Wang, Feng; Zhang, Yanli
2018-03-01
Energy balance is an important feature for spermatozoa production in the testis. The 5'-AMP-activated protein kinase (AMPK) is a sensor of cell energy, has been implicated as a mediator between gonadal function and energy balance. Herein, we intended to determine the physiological effects of AMPK on testicular development in feed energy restricted and compensated pre-pubertal rams. Lambs had restricted feeding for 2 months and then provided compensatory feeding for another 3 months. Feed levels were 100%(control), 15% and 30% of energy restriction (ER) diets, respectively. The results showed that lambs fed the 30% ER diet had significantly lower testicular weight (P energy requirement after restriction. Taken together, dietary energy levels influence testicular development through autophagy and apoptosis interplay mediated by AMPK-ULK1 signal pathway, which also indicates the important role of the actions of AMPK in the testis homeostasis. Copyright © 2017 Elsevier Inc. All rights reserved.
Energy levels of a scalar particle in a static gravitational field close to the black hole limit
Gossel, G. H.; Berengut, J. C.; Flambaum, V. V.
2011-10-01
The bound-state energy levels of a scalar particle in the gravitational field of finite-sized objects with interiors described by the Florides and Schwarzschild metrics are found. For these metrics, bound states with zero energy (where the binding energy is equal to the rest mass of the scalar particle) only exist when a singularity occurs in the metric. Therefore, in contrast to the Coulomb case, no pairs are produced in the non-singular static metric. For the Florides metric the singularity occurs in the black hole limit, while for the Schwarzschild interior metric it corresponds to infinite pressure at the center. Moreover, the energy spectrum is shown to become quasi-continuous as the metric becomes singular.
Electrically active induced energy levels and metastability of B and N vacancy-complexes in 4H–SiC
Igumbor, E.; Olaniyan, O.; Mapasha, R. E.; Danga, H. T.; Omotoso, E.; Meyer, W. E.
2018-05-01
Electrically active induced energy levels in semiconductor devices could be beneficial to the discovery of an enhanced p or n-type semiconductor. Nitrogen (N) implanted into 4H–SiC is a high energy process that produced high defect concentrations which could be removed during dopant activation annealing. On the other hand, boron (B) substituted for silicon in SiC causes a reduction in the number of defects. This scenario leads to a decrease in the dielectric properties and induced deep donor and shallow acceptor levels. Complexes formed by the N, such as the nitrogen-vacancy centre, have been reported to play a significant role in the application of quantum bits. In this paper, results of charge states thermodynamic transition level of the N and B vacancy-complexes in 4H–SiC are presented. We explore complexes where substitutional N/N or B/B sits near a Si (V) or C (V) vacancy to form vacancy-complexes (NV, NV, NV, NV, BV, BV, BV and BV). The energies of formation of the N related vacancy-complexes showed the NV to be energetically stable close to the valence band maximum in its double positive charge state. The NV is more energetically stable in the double negative charge state close to the conduction band minimum. The NV on the other hand, induced double donor level and the NV induced a double acceptor level. For B related complexes, the BV and BV were energetically stable in their single positive charge state close to the valence band maximum. As the Fermi energy is varied across the band gap, the neutral and single negative charge states of the BV become more stable at different energy levels. B and N related complexes exhibited charge state controlled metastability behaviour.
Experimental investigation and crystal-field modeling of Er{sup 3+} energy levels in GSGG crystal
Energy Technology Data Exchange (ETDEWEB)
Gao, J.Y., E-mail: jygao1985@sina.com [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Sun, D.L.; Zhang, Q.L. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Wang, X.F. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Liu, W.P.; Luo, J.Q.; Sun, G.H.; Yin, S.T. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China)
2016-06-25
The Er{sup 3+}-doped Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} (Er{sup 3+}:GSGG) single crystal, a excellent medium of the mid-infrared and anti-radiation solid state laser pumped by laser diode, was grown by Czochralski method successfully. The absorption spectra were measured and analyzed in a wider spectral wavelength range of 350–1700 nm at different temperatures of 7.6, 77, 200 and 300 K. The free-ions and crystal-field parameters were fitted to the experimental energy levels with the root mean square deviation of 9.86 cm{sup −1}. According to the crystal-field calculations, 124 degenerate energy levels of Er{sup 3+} in GSGG host crystals were assigned. The fitting results of free-ions and crystal-field parameters were compared with those already reported of Er{sup 3+}:YSGG. The results indicated that the free-ions parameters for Er{sup 3+} in GSGG host are similar to those in YSGG host crystals, and the crystal-field interaction of GSGG is weaker than that of YSGG, which may result in the better laser characterization of Er{sup 3+}:GSGG crystal. - Highlights: • The efficient diode-end-pumped laser crystal Er:GSGG has been grown successfully. • The absorption spectra of Er:GSGG have been measured in range of 350–1700 nm. • The fitting result is very well for the root mean square deviation is 9.86 cm{sup −1}. • The 124 levels of Er:GSGG have been assigned from the crystal-field calculations.
Energy Technology Data Exchange (ETDEWEB)
Ma, C.-G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Brik, M.G., E-mail: mikhail.brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Liu, D.-X.; Feng, B.; Tian, Ya [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Suchocki, A. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland)
2016-02-15
The energy level diagrams are theoretically constructed for the di-, tri-, tetravalent lanthanide and actinide ions, using the Hartree–Fock calculated parameters of the Coulomb and spin–orbit interactions within f{sup N} (N=1…13) electron configurations. These diagrams are analogous to Dieke's diagram, which was obtained experimentally. They can be used for an analysis of the optical spectra of all considered groups of ions in various environments. Systematic variation of some prominent energy levels (especially those ones with a potential for emission transitions) along the isoelectronic 4f/5f ions is considered. - Highlights: • Energy level schemes for di-, tri, tetravalent lanthanides/actinides are calculated. • Systematic variation of the characteristic energy levels across the series is considered. • Potentially interesting emission transitions are identified.
International Nuclear Information System (INIS)
Cruz, Philip Christopher S.; Bernardo, Reginald Christian S.; Esguerra, Jose Perico H.
2017-01-01
We calculate the energy levels of a quantum particle on a cylindrical surface with non-circular cross-section in uniform electric and magnetic fields. Using separation of variables method and a change of independent variable, we show that the problem can be reduced to a one-dimensional Schrödinger equation for a periodic potential. The effects of varying the shape of the cross-section while keeping the same perimeter and the strengths of the electric and magnetic fields are investigated for elliptical, corrugated, and nearly-rectangular tubes with radial dimensions of the order of a nanometer. The geometric potential has minima at the angular positions where there is a significant amount of curvature. For the elliptical and corrugated tubes, it is shown that as the tube departs from the circular shape of cross-section the double-degeneracy between the energy levels is lifted. For the nearly-rectangular tube, it is shown that energy level crossings occur as the horizontal dimension of the tube is varied while keeping the same perimeter and radius of circular corners. The interplay between the curvature and the strength of the electric and magnetic fields determines the overall behavior of the energy levels. As the strength of the electric field increases, the overall potential gets skewed creating a potential well on the side corresponding to the more negative electric potential. The energy levels of the first few excited states approach more positive values while the ground state energy level approaches a more negative value. For large electric fields, all bound state energy levels tend to more negative values. The contribution of weak magnetic fields to the overall potential behaves in the same way as the electric field contribution but with its sign depending on the direction of the component of the momentum parallel to the cylindrical axis. Large magnetic fields lead to pairing of energy levels reminiscent of 2D Landau levels for the elliptical and nearly
Energy Technology Data Exchange (ETDEWEB)
Cruz, Philip Christopher S., E-mail: pscruz1@up.edu.ph; Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph
2017-04-15
We calculate the energy levels of a quantum particle on a cylindrical surface with non-circular cross-section in uniform electric and magnetic fields. Using separation of variables method and a change of independent variable, we show that the problem can be reduced to a one-dimensional Schrödinger equation for a periodic potential. The effects of varying the shape of the cross-section while keeping the same perimeter and the strengths of the electric and magnetic fields are investigated for elliptical, corrugated, and nearly-rectangular tubes with radial dimensions of the order of a nanometer. The geometric potential has minima at the angular positions where there is a significant amount of curvature. For the elliptical and corrugated tubes, it is shown that as the tube departs from the circular shape of cross-section the double-degeneracy between the energy levels is lifted. For the nearly-rectangular tube, it is shown that energy level crossings occur as the horizontal dimension of the tube is varied while keeping the same perimeter and radius of circular corners. The interplay between the curvature and the strength of the electric and magnetic fields determines the overall behavior of the energy levels. As the strength of the electric field increases, the overall potential gets skewed creating a potential well on the side corresponding to the more negative electric potential. The energy levels of the first few excited states approach more positive values while the ground state energy level approaches a more negative value. For large electric fields, all bound state energy levels tend to more negative values. The contribution of weak magnetic fields to the overall potential behaves in the same way as the electric field contribution but with its sign depending on the direction of the component of the momentum parallel to the cylindrical axis. Large magnetic fields lead to pairing of energy levels reminiscent of 2D Landau levels for the elliptical and nearly
New even parity energy levels of Pr I found by excitation of transitions in the region 560 - 695 nm
Energy Technology Data Exchange (ETDEWEB)
Syed, Tanweer Iqbal; Khan, Shamim; Imran, Siddiqui; Zaheer, Uddin; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)
2011-07-01
The knowledge of electronic levels is essentially needed for a description of the interactions between the electrons of an atom and for the classification of an atomic spectrum. We have studied the hyperfine structure of Praseodymium spectral lines in the region from 560 to 695 nm. The hyperfine structure of a large number of unclassified Pr I-lines have been investigated by using the method of laser induced fluorescence in a hollow cathode discharge. During this investigation, we have discovered twelve energy levels with even parity, which were previously unknown. The excitation source was a ring dye laser operated with R6G, Kiton red, or DCM. J-quantum numbers and magnetic dipole interaction constants A for upper and lower levels have been determined from the recorded hyperfine structures. The energies of new levels have been determined by using these constants, excitation and fluorescence wavelengths. Promising excitation wavelengths have been taken from Fourier transform spectra. The new levels were confirmed by at least one second laser excitation.
Directory of Open Access Journals (Sweden)
A Maiorka
2005-03-01
Full Text Available We studied the effects of two different systems of expressing amino acid requirements (total - TAA or digestible - DAA, two energy levels (2,900 or 3,200 kcal of ME/kg and two physical forms (mash or pellet on the performance of male broilers from 21 to 42 d of age. Diets formulated on DAA basis improved feed conversion (p<0.001 and the conversion of consumed ME into body weight gain (p<0.001. Birds fed 3,200 kcal ME/kg presented better feed conversion (p<0.001, higher abdominal fat deposition (p<0.001 and worse conversion of consumed ME into body weight gain (p<0.001 as compared to birds fed 2,900 kcal ME/kg. Birds fed pelleted feed had higher feed intake (p<0.001, higher weight gain (p<0.001, better feed conversion (p<0.001, better conversion of consumed ME into body weight gain (p<0.001 and higher abdominal fat deposition (p<0.001. The results obtained in the present study suggest that feed formulation based on DAA is required when diets contain protein sources which amino acid digestibility is unreliable. Besides, pelleted feed improves performance parameters of broilers.
The energy levels and oscillator strength of a complex atom--Au50+ in a self-consistent potential
International Nuclear Information System (INIS)
Feng Rong; Zou Yu; Fang Quanyu
1998-01-01
The effects of free electrons in a plasma on a complex atom are discussed, here the authors are interested in the target ion--Au 50+ in inertia confined fusion (ICF). The results are compared with those in the case of hydrogenic ions. Accurate numerical solutions have been obtained for Schroedinger's equation through Debye screened Hartree-Fock-Slater self-consistent potential. Solutions have been computed for 28 eigenstates, 1s through n =3D 7, l =3D 6, yielding the energy eigenvalues for a wide range of Debye screening length Λ. As in the case of hydrogenic ions, under screening, all energy levels are shifted away from their unscreened values toward the continuum, that is, the ionization limits are shifted downward. Conclusions have been made that when Λ>5a 0 , that is, in the weak screening cases, Debye screening has little effect on oscillator strength, average orbital radius, transition matrix elements, etc., of Au 50+ . For each (n,l) eigenstate, there is a finite value of screening length Λ 0 (n,l), for which the energy becomes zero. When Λ is sufficiently small, level crossing appears at high n states. Optical oscillator strength for Au 50+ has also been calculated, the results are compared with those under unscreened potential
Impact of MoO3 interlayer on the energy level alignment of pentacene-C60 heterostructure.
Zou, Ye; Mao, Hongying; Meng, Qing; Zhu, Daoben
2016-02-28
Using in situ ultraviolet photoelectron spectroscopy, the electronic structure evolutions at the interface between pentacene and fullerene (C60), a classical organic donor-acceptor heterostructure in organic electronic devices, on indium-tin oxide (ITO) and MoO3 modified ITO substrates have been investigated. The insertion of a thin layer MoO3 has a significant impact on the interfacial energy level alignment of pentacene-C60 heterostructure. For the deposition of C60 on pentacene, the energy difference between the highest occupied molecular orbital of donor and the lowest unoccupied molecular orbital of acceptor (HOMO(D)-LUMO(A)) offset of C60/pentacene heterostructure increased from 0.86 eV to 1.54 eV after the insertion of a thin layer MoO3 on ITO. In the inverted heterostructrure where pentacene was deposited on C60, the HOMO(D)-LUMO(A) offset of pentacene/C60 heterostructure increased from 1.32 to 2.20 eV after MoO3 modification on ITO. The significant difference of HOMO(D)-LUMO(A) offset shows the feasibility to optimize organic electronic device performance through interfacial engineering approaches, such as the insertion of a thin layer high work function MoO3 films.
International Nuclear Information System (INIS)
Gao, Penghui; Dai, Yanjun; Tong, YenWah; Dong, Pengwei
2015-01-01
CCHP (combined cooling, heating and power) system as a poly-generation technology has received an increasing attention in field of small scale power systems for applications ranging from residence to utilities. It will also play an important role in waste to energy application for megacities. However, how to evaluate and manage energy utilization of CCHP scientifically remains unclear. In this paper, energy level and exergy analysis are implemented on energy conversion processes to reveal the variation of energy amount and quality in the operation of CCHP system. Moreover, based on the energy level analysis, the methodology of energy matching and optimization for the CCHP system is proposed. By this method, the operational parameters of CCHP system can be deduced to obtain an efficient performance and proper energy utilization. It will be beneficial to understand and operate the CCHP system, and to provide a guiding principle of the energy conversion and management for the CCHP system. - Highlights: • Energy level is implemented to reveal the energy variation of CCHP system. • A mathematical energy level analysis model of CCHP system is proposed. • By energy level analysis between supply and demand, optimal zone is obtained. • This study will be useful for energy matching and optimization of CCHP system
Electrically active induced energy levels and metastability of B and N vacancy-complexes in 4H-SiC.
Igumbor, E; Olaniyan, O; Mapasha, R E; Danga, H T; Omotoso, E; Meyer, W E
2018-05-10
Electrically active induced energy levels in semiconductor devices could be beneficial to the discovery of an enhanced p or n-type semiconductor. Nitrogen (N) implanted into 4H-SiC is a high energy process that produced high defect concentrations which could be removed during dopant activation annealing. On the other hand, boron (B) substituted for silicon in SiC causes a reduction in the number of defects. This scenario leads to a decrease in the dielectric properties and induced deep donor and shallow acceptor levels. Complexes formed by the N, such as the nitrogen-vacancy centre, have been reported to play a significant role in the application of quantum bits. In this paper, results of charge states thermodynamic transition level of the N and B vacancy-complexes in 4H-SiC are presented. We explore complexes where substitutional N[Formula: see text]/N[Formula: see text] or B[Formula: see text]/B[Formula: see text] sits near a Si (V[Formula: see text]) or C (V[Formula: see text]) vacancy to form vacancy-complexes (N[Formula: see text]V[Formula: see text], N[Formula: see text]V[Formula: see text], N[Formula: see text]V[Formula: see text], N[Formula: see text]V[Formula: see text], B[Formula: see text]V[Formula: see text], B[Formula: see text]V[Formula: see text], B[Formula: see text]V[Formula: see text] and B[Formula: see text]V[Formula: see text]). The energies of formation of the N related vacancy-complexes showed the N[Formula: see text]V[Formula: see text] to be energetically stable close to the valence band maximum in its double positive charge state. The N[Formula: see text]V[Formula: see text] is more energetically stable in the double negative charge state close to the conduction band minimum. The N[Formula: see text]V[Formula: see text] on the other hand, induced double donor level and the N[Formula: see text]V[Formula: see text] induced a double acceptor level. For B related complexes, the B[Formula: see text]V[Formula: see text] and B[Formula: see text
Directory of Open Access Journals (Sweden)
Muhammed eJamsheer K
2015-09-01
Full Text Available Cellular energy status is an important regulator of plant growth, development, and stress mitigation. Environmental stresses ultimately lead to energy deficit in the cell which activates the SNF1-RELATED KINASE 1 (SnRK1 signaling cascade which eventually triggering a massive reprogramming of transcription to enable the plant to survive under low-energy conditions. The role of Arabidopsis thaliana FCS-Like Zinc finger (FLZ gene family in energy and stress signaling is recently come to highlight after their interaction with kinase subunits of SnRK1 were identified. In a detailed expression analysis in different sugars, energy starvation, and replenishment series, we identified that the expression of most of the FLZ genes is differentially modulated by cellular energy level. It was found that FLZ gene family contains genes which are both positively and negatively regulated by energy deficit as well as energy-rich conditions. Genetic and pharmacological studies identified the role of HEXOKINASE 1- dependent and energy signaling pathways in the sugar-induced expression of FLZ genes. Further, these genes were also found to be highly responsive to different stresses as well as abscisic acid. In over-expression of kinase subunit of SnRK1, FLZ genes were found to be differentially regulated in accordance with their response towards energy fluctuation suggesting that these genes may work downstream to the established SnRK1 signaling under low-energy stress. Taken together, the present study provides a conceptual framework for further studies related to SnRK1-FLZ interaction in relation to sugar and energy signaling and stress response.
Pathak, P K; Roychoudhury, R; Saharia, J; Borah, M C; Dutta, D J; Bhuyan, R; Kalita, D
2018-06-01
The present study was formulated to find out the status of important season related thermal stress biomarkers of pure-bred (Hampshire) and crossbred (50% Hampshire × 50% local) pigs under the agro-climatic condition of Assam State, India. The experiment was also aimed to study the role of different level of energy ration (110, 100, and 90% energy of NRC feeding standard for pig) in variation of physiological and biochemical parameters in two genetic groups of pigs in different seasons. The metabolizable energy value were 3260, 2936.5, and 3585.8 kcal/kg in grower ration and 3260.2, 2936.6, and 3587 kcal/kg in finisher ration for normal energy (NE), low energy (LE) and high energy (HE), respectively. Both the genetic group of animals were housed separately under intensive system of management. Each pen was measuring 10' × 12' along with an outer enclosure. Six weaned piglets (almost similar body weight of average 10.55 kg) of each group were kept in a separate pen. However, after attainment of 35 kg body weight, the animals of a group were divided in two pens of three animals each. The present experiment indicated that average ambient temperature during summer months (27.33-29.51 °C) was above the comfort zone for pigs (22 °C). The significantly (P energy (HE) ration during summer season. Serum triiodothyronine (T 3 ) and thyroxine (T 4 ) concentrations were significantly (P energy level of the ration might be helpful to minimize the effects of thermal stress during summer.
Energy Technology Data Exchange (ETDEWEB)
Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki, E-mail: wagatuma@imr.tohoku.ac.jp
2012-01-15
A Boltzmann plot for many iron ionic lines having excitation energies of 4.7-9.1 eV was investigated in an argon glow discharge plasma when the discharge parameters, such as the voltage/current and the gas pressure, were varied. A Grimm-style radiation source was employed in a DC voltage range of 400-800 V at argon pressures of 400-930 Pa. The plot did not follow a linear relationship over a wide range of the excitation energy, but it yielded a normal Boltzmann distribution in the range of 4.7-5.8 eV and a large overpopulation in higher-lying excitation levels of iron ion. A probable reason for this phenomenon is that excitations for higher excited energy levels of iron ion would be predominantly caused by non-thermal collisions with argon species, the internal energy of which is received by iron atoms for the ionization. Particular intense ionic lines, which gave a maximum peak of the Boltzmann plot, were observed at an excitation energy of ca. 7.7 eV. They were the Fe II 257.297-nm and the Fe II 258.111-nm lines, derived from the 3d{sup 5}4s4p {sup 6}P excited levels. The 3d{sup 5}4s4p {sup 6}P excited levels can be highly populated through a resonance charge transfer from the ground state of argon ion, because of good matching in the excitation energy as well as the conservation of the total spin before and after the collision. An enhancement factor of the emission intensity for various Fe II lines could be obtained from a deviation from the normal Boltzmann plot, which comprised the emission lines of 4.7-5.8 eV. It would roughly correspond to a contribution of the charge transfer excitation to the excited levels of iron ion, suggesting that the charge-transfer collision could elevate the number density of the corresponding excited levels by a factor of ca.10{sup 4}. The Boltzmann plots give important information on the reason why a variety of iron ionic lines can be emitted from glow discharge plasmas.
International Nuclear Information System (INIS)
Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Császár, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.; Al Derzi, Afaf R.; Fábri, Csaba; Fazliev, Alexander Z.; Furtenbacher, Tibor
2013-01-01
This is the third of a series of articles reporting critically evaluated rotational–vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational–vibrational transitions of the most abundant isotopologue of water, H 2 16 O. The latest version of the MARVEL (Measured Active Rotational–Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H 2 16 O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H 2 16 O containstwo components, an ortho (o) and a para (p) one. For o-H 2 16 O and p-H 2 16 O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H 2 16 O and p-H 2 16 O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a
Energy Levels and Radiative Rates for Transitions in F-like Sc XIII and Ne-like Sc XII and Y XXX
Directory of Open Access Journals (Sweden)
Kanti M. Aggarwal
2018-05-01
Full Text Available Energy levels, radiative rates and lifetimes are reported for F-like Sc XIII and Ne-like Sc XII and Y XXX for which the general-purpose relativistic atomic structure package (GRASP has been adopted. For all three ions, limited data exist in the literature but comparisons have been made wherever possible to assess the accuracy of the calculations. In the present work, the lowest 102, 125 and 139 levels have been considered for the respective ions. Additionally, calculations have also been performed with the flexible atomic code (FAC to (particularly confirm the accuracy of energy levels.
Energy Levels and Radiative Rates for Transitions in F-like Sc XIII and Ne-like Sc XII and Y XXX
Aggarwal, Kanti
2018-05-01
Energy levels, radiative rates and lifetimes are reported for F-like Sc~XIII and Ne-like Sc~XII and Y~XXX for which the general-purpose relativistic atomic structure package ({\\sc grasp}) has been adopted. For all three ions limited data exist in the literature but comparisons have been made wherever possible to assess the accuracy of the calculations. In the present work the lowest 102, 125 and 139 levels have been considered for the respective ions. Additionally, calculations have also been performed with the flexible atomic code ({\\sc fac}) to (particularly) confirm the accuracy of energy levels.
Broadband Luminescence in Rare Earth Doped Sr2SiS4: Relating Energy Levels of Ce3+ and Eu2+
Directory of Open Access Journals (Sweden)
Anthony B. Parmentier
2013-08-01
Full Text Available Sr2SiS4:Ce3+ is an efficient blue-emitting (460 nm phosphor, excitable with light of wavelengths up to 420 nm. From the excitation spectrum, we construct the energy level scheme and use it to check the predictive power of the Dorenbos model, relating the positions of the Ce3+ energy levels with those of Eu2+ in the same host. For strontium thiosilicate, this method gives excellent results and allows us to determine which of two available crystallographic sites is occupied by cerium. We use the Dorenbos method for extracting information on the coordination of Ce3+ from the observed crystal field splitting.
International Nuclear Information System (INIS)
Patel, B.N.; Thomas, J.V.; Lockhart, M.E.; Berland, L.L.; Morgan, D.E.
2013-01-01
Aim: To evaluate lesion contrast in pancreatic adenocarcinoma patients using spectral multidetector computed tomography (MDCT) analysis. Materials and methods: The present institutional review board-approved, Health Insurance Portability and Accountability Act of 1996 (HIPAA)-compliant retrospective study evaluated 64 consecutive adults with pancreatic adenocarcinoma examined using a standardized, multiphasic protocol on a single-source, dual-energy MDCT system. Pancreatic phase images (35 s) were acquired in dual-energy mode; unenhanced and portal venous phases used standard MDCT. Lesion contrast was evaluated on an independent workstation using dual-energy analysis software, comparing tumour to non-tumoural pancreas attenuation (HU) differences and tumour diameter at three energy levels: 70 keV; individual subject-optimized viewing energy level (based on the maximum contrast-to-noise ratio, CNR); and 45 keV. The image noise was measured for the same three energies. Differences in lesion contrast, diameter, and noise between the different energy levels were analysed using analysis of variance (ANOVA). Quantitative differences in contrast gain between 70 keV and CNR-optimized viewing energies, and between CNR-optimized and 45 keV were compared using the paired t-test. Results: Thirty-four women and 30 men (mean age 68 years) had a mean tumour diameter of 3.6 cm. The median optimized energy level was 50 keV (range 40–77). The mean ± SD lesion contrast values (non-tumoural pancreas – tumour attenuation) were: 57 ± 29, 115 ± 70, and 146 ± 74 HU (p = 0.0005); the lengths of the tumours were: 3.6, 3.3, and 3.1 cm, respectively (p = 0.026); and the contrast to noise ratios were: 24 ± 7, 39 ± 12, and 59 ± 17 (p = 0.0005) for 70 keV, the optimized energy level, and 45 keV, respectively. For individuals, the mean ± SD contrast gain from 70 keV to the optimized energy level was 59 ± 45 HU; and the mean ± SD contrast gain from the optimized energy level to 45 ke
Patel, B N; Thomas, J V; Lockhart, M E; Berland, L L; Morgan, D E
2013-02-01
To evaluate lesion contrast in pancreatic adenocarcinoma patients using spectral multidetector computed tomography (MDCT) analysis. The present institutional review board-approved, Health Insurance Portability and Accountability Act of 1996 (HIPAA)-compliant retrospective study evaluated 64 consecutive adults with pancreatic adenocarcinoma examined using a standardized, multiphasic protocol on a single-source, dual-energy MDCT system. Pancreatic phase images (35 s) were acquired in dual-energy mode; unenhanced and portal venous phases used standard MDCT. Lesion contrast was evaluated on an independent workstation using dual-energy analysis software, comparing tumour to non-tumoural pancreas attenuation (HU) differences and tumour diameter at three energy levels: 70 keV; individual subject-optimized viewing energy level (based on the maximum contrast-to-noise ratio, CNR); and 45 keV. The image noise was measured for the same three energies. Differences in lesion contrast, diameter, and noise between the different energy levels were analysed using analysis of variance (ANOVA). Quantitative differences in contrast gain between 70 keV and CNR-optimized viewing energies, and between CNR-optimized and 45 keV were compared using the paired t-test. Thirty-four women and 30 men (mean age 68 years) had a mean tumour diameter of 3.6 cm. The median optimized energy level was 50 keV (range 40-77). The mean ± SD lesion contrast values (non-tumoural pancreas - tumour attenuation) were: 57 ± 29, 115 ± 70, and 146 ± 74 HU (p = 0.0005); the lengths of the tumours were: 3.6, 3.3, and 3.1 cm, respectively (p = 0.026); and the contrast to noise ratios were: 24 ± 7, 39 ± 12, and 59 ± 17 (p = 0.0005) for 70 keV, the optimized energy level, and 45 keV, respectively. For individuals, the mean ± SD contrast gain from 70 keV to the optimized energy level was 59 ± 45 HU; and the mean ± SD contrast gain from the optimized energy level to 45 keV was 31 ± 25 HU (p = 0
International Nuclear Information System (INIS)
Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang
2014-01-01
The torsional energy levels of CH 3 OH + , CH 3 OD + , and CD 3 OD + have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH 3 OH, CH 3 OD, and CD 3 OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm −1 , which is about half of that of the neutral (340 cm −1 ). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C–O stretch vibrational energy level for CD 3 OD + has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C–O stretch vibration indicate a strong torsion-vibration coupling
International Nuclear Information System (INIS)
Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Carleer, Michel R.; Csaszar, Attila G.; Gamache, Robert R.; Hodges, Joseph T.; Jenouvrier, Alain; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Toth, Robert A.; Vandaele, Ann Carine; Zobov, Nikolai F.; Daumont, Ludovic; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Mikhailenko, Semen N.
2009-01-01
This is the first part of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependence and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. The present article contains energy levels and data for line positions of the singly substituted isotopologues H 2 17 O and H 2 18 O. The procedure and code MARVEL, standing for measured active rotational-vibrational energy levels, is used extensively in all stages of determining the validated levels and lines and their self-consistent uncertainties. The spectral regions covered for both isotopologues H 2 17 O and H 2 18 O are 0-17125cm -1 . The energy levels are checked against ones determined from accurate variational calculations. The number of critically evaluated and recommended levels and lines are, respectively, 2687 and 8614 for H 2 17 O, and 4839 and 29 364 for H 2 18 O. The extensive lists of MARVEL lines and levels obtained are deposited in the Supplementary Material, as well as in a distributed information system applied to water, W-DIS, where they can easily be retrieved. A distinguishing feature of the present evaluation of water spectroscopic data is the systematic use of all available experimental data and validation by first-principles theoretical calculations.
van Hoeij, R J; Dijkstra, J; Bruckmaier, R.M.; Gross, James J; Lam, T J G M; Remmelink, G J; Kemp, B.; Knegsel, A.T.M.
2017-01-01
Omitting the dry period (DP) generally reduces milk production in the subsequent lactation. The aim of this study was to evaluate the effect of dietary energy source-glucogenic (G) or lipogenic (L)-and energy level-standard (std) or low-on milk production; energy balance (EB); lactogenic hormones
Hoeij, van R.J.; Lam, T.J.G.M.; Bruckmaier, R.M.; Dijkstra, J.; Remmelink, G.J.; Kemp, B.; Knegsel, van A.T.M.
2018-01-01
Reports on the effects of length of dry period (DP) on udder health of cows that were not treated with dry cow antibiotics are scarce. Additionally, the effects of a reduced dietary energy level for cows with a 0-d DP on udder health have not yet been studied. The aims of this study were (1) to
Energy Technology Data Exchange (ETDEWEB)
Shimizu, Yuhei; Ueda, Kazushige, E-mail: kueda@che.kyutech.ac.jp
2016-09-01
A simple method to analyze 4f energy levels of trivalent lanthanide (Ln) ions was demonstrated by conventional X-ray photoelectron spectroscopy (XPS) measurements using Ln ions doped YAlO{sub 3} sintered polycrystalline samples. Although XPS peaks derived from Ln 4f states overlapped with the host's valence band consisting of O 2p states, the difference XPS spectra between Ln doped and non-doped samples showed only the Ln 4f peaks due to the large difference of photoionization cross sections between Ln 4f and O 2p orbitals. The difference spectra showing Ln 4f states were aligned at the valence band maximum (VBM) making use of the peaks of Al 2p inner shells, and the Ln{sup 3+} 4f energy levels referred to the VBM were determined from the Ln{sup 3+} 4f peak energies. The Ln{sup 3+} 4f energy levels obtained by this simple method were in good agreement with those previously obtained by resonant ultraviolet photoelectron spectroscopy measurements using single crystal samples. - Highlights: • Lanthanide (Ln) 4f energy in YAlO{sub 3} was studied by X-ray photoelectron spectroscopy. • The method used differences in photoionization probability between Ln 4f and O 2p. • Ln 4f states were obtained by difference spectra between Ln- and non-doped samples. • Obtained 4f energy levels agreed with those reported by a sophisticated method.
Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang
2014-10-14
The torsional energy levels of CH3OH(+), CH3OD(+), and CD3OD(+) have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH3OH, CH3OD, and CD3OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm(-1), which is about half of that of the neutral (340 cm(-1)). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C-O stretch vibrational energy level for CD3OD(+) has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C-O stretch vibration indicate a strong torsion-vibration coupling.
Emous, van R.A.; Kwakkel, R.P.; Krimpen, van M.M.; Hendriks, W.H.
2015-01-01
A study with a 2 × 3 × 2 factorial arrangement was conducted to determine the effects of 2 dietary protein levels (high = CPh and low = CPl) during rearing, 3 dietary energy levels (3,000, MEh1; 2,800, MEs1; and 2,600, MEl1, kcal/kg AMEn, respectively) during the first phase of lay, and 2 dietary
Emous, Van Rick A.; Kwakkel, René; Krimpen, van Marinus; Hendriks, Wouter
2015-01-01
An experiment was conducted to determine the effects of different dietary protein levels during rearing and different dietary energy levels during lay on behaviour and feather cover in broiler breeder females. A 2×3×2 factorial arrangement of treatments was used. A total of 2880 Ross 308
Directory of Open Access Journals (Sweden)
Rodrigo de Souza
2014-02-01
Full Text Available The objective of this study was to evaluate the use of calcium salts of fatty acids (CSFA to increase the dietary energy levels for Saanen goats and their effects on the lactation curve, dry matter intake, body weight, and economic results of the goats. Twenty multiparous goats, weighing an average of 63.5±10.3 kg, were randomly assigned to one of four treatment groups, each receiving one of the following dietary energy levels: a control diet consisting of 2.6 Mcal of metabolizable energy per kg of dry matter (Mcal ME/kg DM or a test diet supplemented with CSFA (Lactoplus® to obtain 2.7, 2.8, or 2.9 Mcal ME/kg DM. Goats were housed in individual stalls and were fed and milked twice daily. The animals were evaluated until 180 days in milk by measuring dry matter intake and milk yield. These measurements were used to calculate feed efficiencies and the cost-benefit ratio of diet and lactation curves using Wood's nonlinear model. Increasing dietary energy levels showed no effect on body weight. Supplementation with CSFA did not limit dry matter intake; however, it changed the shape of the lactation curve by promoting a late peak lactation with a longer duration. Milk yields at 180 days in milk had a quadratic increase with a maximum energy level at 2.85 Mcal ME/kg DM. Increasing the dietary energy level for Saanen goats using CSFA changes their lactation curves, with the best milk production achieved with a 2.85 Mcal ME/kg DM diet; however, the greatest economic results were obtained with a 2.7 Mcal ME/kg DM diet.
Directory of Open Access Journals (Sweden)
Federico Infascelli
2010-01-01
Full Text Available The aim of this trial was to study the influence of two protein sources (faba bean-FB vs soybean meal s.e.-SBM and two energy levels of diets given to young Marchigiana bulls on meat quality: water holding capacity (WHC, chemical composition, hydroxyproline and cholesterol contents, fatty acids profile of intramuscular, subcutaneous and perirenal adipose tissues. While chemical composition and WHC was determined only on muscle Longissimus thoracis (LT, hydroxyproline and cholesterol contents were evaluated also on muscles Semitendinosus (ST and Ileopsoas plus Psoas minor (IP. Eighteen young bulls were divided into three groups. Until the slaughter weight (620 kg was achieved, two groups, FB and SBM, were fed diets with similar protein and energy contents but differing in protein sources, and the third group was fed high energy (HE diets. Protein sources did not affect meat nutritional characteristics; but meat of group SBM had high hydroxyproline content: 62.6 vs 60.0 mg 100g-1, respectively, for SBM and FB groups (P<0.05, while compression losses were higher for FB group (7.6 vs 5.7%, respectively, for FB and SBM groups; P<0.01. As respects the comparison among content of hydroxyproline in the different muscles: IP, corresponding to the tenderloin, showed significantly lower concentrations than the other muscles (55.2 vs 60.7 and 63.5 mg 100g-1 for IP, LT and ST, respectively; P<0.01. Feeding regimes did not affect muscular cholesterol content (average values of 53.6, 55.5 and 52.1 mg 100g-1 of fresh muscle for FB, SBM and HE, respectively which was similar to the levels found in meat from specialised Italian beef breeds and lower than those from other breeds. As respects the differences in cholesterol contents among the muscles, IP showed lower contents than other muscles (50.9 vs 54.1, 56.0 mg 100g-1, respectively for IP, ST, LT; P<0.05. The higher energy diets induced higher concentration of saturated fatty acids, in particular of palmitic
van Hoeij, R J; Dijkstra, J; Bruckmaier, R M; Gross, J J; Lam, T J G M; Remmelink, G J; Kemp, B; van Knegsel, A T M
2017-10-01
Omitting the dry period (DP) generally reduces milk production in the subsequent lactation. The aim of this study was to evaluate the effect of dietary energy source-glucogenic (G) or lipogenic (L)-and energy level-standard (std) or low-on milk production; energy balance (EB); lactogenic hormones insulin, insulin-like growth factor 1 (IGF-1), and growth hormone (GH); and lactation curve characteristics between wk 1 and 44 postpartum in cows after a 0-d or 30-d DP. Cows (n = 110) were assigned randomly to 3 transition treatments: a 30-d DP with a standard energy level required for expected milk yield [30-d DP(std)], a 0-d DP with the same energy level as cows with a 30-d DP [0-d DP(std)], and a 0-d DP with a low energy level [0-d DP(low)]. In wk 1 to 7, cows were fed the same basal ration but the level of concentrate increased to 6.7 kg/d for cows fed the low energy level and to 8.5 kg/d for cows fed the standard energy level in wk 4. From wk 8 postpartum onward, cows received a G ration (mainly consisting of corn silage and grass silage) or an L ration (mainly consisting of grass silage and sugar beet pulp) with the same energy level contrast (low or std) as in early lactation. Cows fed the G ration had greater milk, lactose, and protein yields, lower milk fat percentage, greater dry matter and energy intakes, and greater plasma IGF-1 concentration compared with cows fed the L ration. Dietary energy source did not affect EB or lactation curve characteristics. In cows with a 0-d DP, the reduced energy level decreased energy intake, EB, and weekly body weight gain, but did not affect milk production or lactation curve characteristics. A 30-d DP resulted in a greater total predicted lactation yield, initial milk yield after calving, peak milk yield, energy intake, energy output in milk, days to conception [only when compared with 0-d DP(low)], plasma GH concentration [only when compared with 0-d DP(std)], and decreased weekly body weight gain compared with a 0-d DP. A
Level density of radioactive doubly-magic nucleus 56Ni
International Nuclear Information System (INIS)
Santhosh Kumar, S.; Rengaiyan, R.; Victor Babu, A.; Preetha, P.
2012-01-01
In this work the single particle energies are obtained by diagonalising the Nilsson Hamiltonian in the cylindrical basis and are generated up to N =11 shells for the isotopes of Ni from A = 48-70, emphasizing the three magic nuclei viz, 48 Ni, 56 Ni and 68 Ni. The statistical quantities like excitation energy, level density parameter and nuclear level density which play the important roles in the nuclear structure and nuclear reactions can be calculated theoretically by means of the Statistical or Partition function method. Hence the statistical model approach is followed to probe the dynamical properties of the nucleus in the microscopic level
Masaoka, Shigeyuki; Mukawa, Yuichiro; Sakai, Ken
2010-07-07
Two new Ru(II)Pt(II) dimers, [Ru(bpy)(2)(mu-L2)PtCl(2)](2+) (5) and [Ru(bpy)(2)(mu-L3)PtCl(2)](2+) (6), were synthesized and characterized, and their electrochemical and spectroscopic properties together with their photo-hydrogen-evolving activities were evaluated (bpy = 2,2'-bypridine; L2 = 4'-[1,10]phenanthrolin-5-ylcarbamoyl)-[2,2']bipyridinyl-4-carboxylic acid ethyl ester; L3 = 4'-methyl-[2,2']bipyridinyl-4-carboxylic acid [1,10]phenanthrolin-5-ylamide). The structures of 5 and 6 are basically identical with that of the first active model of a photo-hydrogen-evolving molecular device developed in our group, [Ru(bpy)(2)(mu-L1)PtCl(2)](2+) (4) (L1 = 4'-([1,10]phenanthrolin-5-ylcarbamoyl)-[2,2']bipyridinyl-4-carboxylic acid), except for the difference in the substituent group at the 4-position of the bpy moiety bound to Pt(II) (-COOH for 4; -COOEt for 5; -CH(3) for 6). Electrochemical studies revealed that the first reduction potential of 5 (E(1/2) = -1.23 V) is nearly consistent with that of 4 (E(1/2) = -1.20 V) but is more positive than that of 6 (E(1/2) = -1.39 V), where the first reduction is associated with the reduction of the bpy moiety bound to Pt(II), consistent with a general tendency that the first reduction of bpy shows an anodic shift upon introduction of electron-withdrawing group. Density functional theory (DFT) calculations for 5 and 6 also show that the lowest unoccupied molecular orbital (LUMO) corresponds to the pi* orbital of the bpy moiety bound to Pt(II) for all the Ru(II)Pt(II) dimers, and the energy level of the LUMO of 6 is destabilized compared with those of 4 and 5, consistent with the results of the electrochemical studies. The photochemical hydrogen evolution from water driven by 4-6 in the presence a sacrificial electron donor (EDTA) was investigated. 5 was found to be active as an H(2)-evolving catalyst, while 6 shows no activity at all. However, 6 was found to drive photochemical H(2) evolution in the presence of both EDTA and
International Nuclear Information System (INIS)
Lyu, Lu; Niu, Dongmei; Xie, Haipeng; Cao, Ningtong; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli
2016-01-01
Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness
Lyu, Lu; Niu, Dongmei; Xie, Haipeng; Cao, Ningtong; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli
2016-01-01
Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness.
Energy Technology Data Exchange (ETDEWEB)
Lyu, Lu; Niu, Dongmei, E-mail: mayee@csu.edu.cnmailto; Xie, Haipeng; Cao, Ningtong; Zhang, Hong; Zhang, Yuhe; Liu, Peng [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, No. 605 Lushan South Road, Changsha, Hunan 410012 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410012 (China); Gao, Yongli [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, No. 605 Lushan South Road, Changsha, Hunan 410012 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410012 (China); Department of Physics and Astronomy, University of Rochester, Rochester, New York 14627 (United States)
2016-01-21
Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness.
Energy Level Statistics of SO(5) Limit of Super-symmetry U(6/4) in Interacting Boson-Fermion Model
International Nuclear Information System (INIS)
Bai Hongbo; Zhang Jinfu; Zhou Xianrong
2005-01-01
We study the energy level statistics of the SO(5) limit of super-symmetry U(6/4) in odd-A nucleus using the interacting boson-fermion model. The nearest neighbor spacing distribution (NSD) and the spectral rigidity (Δ 3 ) are investigated, and the factors that affect the properties of level statistics are also discussed. The results show that the boson number N is a dominant factor. If N is small, both the interaction strengths of subgroups SO B (5) and SO BF (5) and the spin play important roles in the energy level statistics, however, along with the increase of N, the statistics distribution would tend to be in Poisson form.
Directory of Open Access Journals (Sweden)
Rodrigo de Souza
2014-06-01
Full Text Available Peripartum is a critical period for dairy goats, as dry matter intake (DMI is not enough to supply the energy requirement for foetal growth and subsequent lactation. The objective of this study was to evaluate the use of calcium salts of fatty acids (CSFA to increase dietary energy level of peripartum dairy goats and its effects on nutritive value of diets and milk quality. Twenty multiparous Saanen goats (body weight 63.5±10.3 kg were distributed in a completely randomised design in four treatments at the following dietary energy levels: 2.6 Mcal of metabolisable energy per kg of dry matter (Mcal ME/kg DM - control diet; and 2.7, 2.8, and 2.9 Mcal/kg DM - with added CSFA. Goats were housed in individual stalls and evaluated in the peripartum period, by measuring body weight (BW, DMI, dry matter and nutrient digestibility of diets, blood composition, and milk quality and yield. Increasing dietary energy level to 2.9 Mcal ME/kg DM had no effect on BW and did not limit DMI. CSFA supplementation increased intake of total digestible nutrients and did not affect fibre digestion. Blood triglycerides and cholesterol concentration increased with CSFA addition. The treatments had no effect on milk yield and composition; however, CSFA supplementation changed the fatty acid concentration of milk fat, increasing levels of polyunsaturated and essential fatty acids. In conclusion, peripartum dairy goats supplemented with CSFA to increase dietary energy level up to 2.9 Mcal ME/kg DM had a greater supply of total digestible nutrients and showed altered fatty acid concentration of milk fat.
Johansson, Sveneric; Carpenter, Kenneth G.
1988-01-01
Two fluorescence processes operating in atmospheres of cool stars, symbiotic stars, and the Sun are presented. Two emission lines, at 1347.03 and 1360.17 A, are identified as fluorescence lines of Cr II and Fe II. The lines are due to transitions from highly excited levels, which are populated radiatively by the hydrogen Lyman alpha line due to accidental wavelength coincidences. Three energy levels, one in Cr II and two in Fe II, are reported.
4f and 5d energy levels of the divalent and trivalent lanthanide ions in M2Si5N8 (M=Ca, Sr, Ba)
Kate, ten O.M.; Zhang, Z.; Dorenbos, P.; Hintzen, H.T.J.M.; Kolk, van der E.
2013-01-01
Optical data of Sm, Tb and Yb doped Ca2Si5N8 and Sr2Si5N8 phosphors that have been prepared by solid-state synthesis, are presented. Together with luminescence data from literature on Ce3+ and Eu2+ doping in the M2Si5N8 (M=Ca, Sr, Ba) hosts, energy level schemes were constructed showing the energy
International Nuclear Information System (INIS)
Abrashkevich, A.G.; Abrashkevich, D.G.; Vinitskij, S.I.; Puzynin, I.V.
1989-01-01
Description of package BCATOM for calculating the energy levels and wave functions of helium-like systems in the hyperspherical adiabatic approach taking into account the isotopic effects is given. The corresponding Sturm-Liouville problems are approximated by the difference method and the high order accuracy finite element method. The obtained generalized algebraic eigenvalue problems are solved by subspace iteration method. Possibilities of the package are demonstrated by calculating the ground state characteristics of a negative hydrogen ion. 33 refs.; 1 fig
Yang, Qing-Dan; Li, Ho-Wa; Cheng, Yuanhang; Guan, Zhiqiang; Liu, Taili; Ng, Tsz-Wai; Lee, Chun-Sing; Tsang, Sai-Wing
2016-03-23
Energy level alignment at the organic donor and acceptor interface is a key to determine the photovoltaic performance in organic solar cells, but direct probing of such energy alignment is still challenging especially for solution-processed bulk heterojunction (BHJ) thin films. Here we report a systematic investigation on probing the energy level alignment with different approaches in five commonly used polymer:[6,6]-phenyl-C71-butyric acid methyl ester (PCBM) BHJ systems. We find that by tuning the weight ratio of polymer to PCBM the electronic features from both polymer and PCBM can be obtained by photoemission spectroscopy. Using this approach, we find that some of the BHJ blends simply follow vacuum level alignment, but others show strong energy level shifting as a result of Fermi level pinning. Independently, by measuring the temperature-dependent open-circuit voltage (VOC), we find that the effective energy gap (Eeff), the energy difference between the highest occupied molecular orbital of the polymer donor (EHOMO-D) and lowest unoccupied molecular orbital of the PCBM acceptor (ELUMO-A), obtained by photoemission spectroscopy in all polymer:PCBM blends has an excellent agreement with the extrapolated VOC at 0 K. Consequently, the photovoltage loss of various organic BHJ photovoltaic devices at room temperature is in a range of 0.3-0.6 V. It is believed that the demonstrated direct measurement approach of the energy level alignment in solution-processed organic BHJ will bring deeper insight into the origin of the VOC and the corresponding photovoltage loss mechanism in organic photovoltaic cells.
Yun, Sun Woo; Kim, Jong H; Shin, Seunghoon; Yang, Hoichang; An, Byeong-Kwan; Yang, Lin; Park, Soo Young
2012-02-14
Novel π–conjugated cyanostilbene-based semiconductors (Hex-3,5-TFPTA and Hex-4-TFPTA) with tight molecular stacking and optimized energy levels are synthesized. Hex-4-TFPTA exhibits high-performance n-type organic field-effect transistor (OFET) properties with electron mobilities as high as 2.14 cm2 V−1s−1 and on-off current ratios Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Zhao, Yun-Jin; Tian, Meng; Wang, Xiao-Yun; Yang, Hong; Zhao, Heping; Huang, Yong-Gang
2018-01-22
We provide numerical demonstrations of the applicability and accuracy of the quasi-static method and the finite-element method in the investigation of the modifications of the spontaneous emission rate and the energy level shift of an emitter placed near a silver-air interface or a silver nano-sphere. The analytical results are presented as a reference. Our calculations show that the finite element method is an accurate and general method. For frequency away from the radiative mode, the quasi-static method can be applied more effectively for calculating the energy level shift than the spontaneous emission rate. But for frequency around, there is a blue shift for both and this shift increases with the increasing of emitter-silver distance. Applying the theory to the nanosphere dimmer, we see similar phenomenon and find extremely large modifications of the spontaneous emission rate and energy level shift. These findings are instructive in the fields of quantum light-matter interactions.
Energy Technology Data Exchange (ETDEWEB)
Chen, Zhan-Bin, E-mail: chenzb008@qq.com [College of Science, National University of Defense Technology, Changsha, Hunan 410073 (China); Ma, Kun [School of Information Engineering, Huangshan University, Huangshan 245041 (China); Wang, Hong-Jian [Chongqing Key Laboratory for Design and Control of Manufacturing Equipment, Chongqing Technology and Business University, Chongqing 40067 (China); Wang, Kai, E-mail: wangkai@hbu.edu.cn [Hebei Key Lab of Optic-electronic Information and Materials, The College of Physics Science and Technology, Hebei University, Baoding 071002 (China); Liu, Xiao-Bin [Department of Physics, Tianshui Normal University, Tianshui 741001 (China); Zeng, Jiao-Long [College of Science, National University of Defense Technology, Changsha, Hunan 410073 (China)
2017-01-15
Detailed calculations using the multi-configuration Dirac–Fock (MCDF) method are carried out for the lowest 64 fine-structure levels of the 3s{sup 2}3p{sup 2}, 3s{sup 2}3p3d, 3s3p{sup 3}, 3s3p{sup 2}3d, 3s{sup 2}3d{sup 2}, and 3p{sup 4} configurations in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI. Energies, oscillator strengths, wavelengths, line strengths, and radiative electric dipole transition rates are given for all ions. A parallel calculation using the many-body perturbation theory (MBPT) method is also carried out to assess the present energy levels accuracy. Comparisons are performed between these two sets of energy levels, as well as with other available results, showing that they are in good agreement with each other within 0.5%. These high accuracy results can be used to the modeling and the interpretation of astrophysical objects and fusion plasmas. - Highlights: • Energy levels and E1 transition rates of Si-like ions are presented. • Breit interaction and Quantum Electrodynamics effects are discussed. • Present results should be useful in the astrophysical application and plasma modeling.
Energy levels of GaAs/Al{sub x}Ga{sub 1-x}As/AlAs spherical quantum dot with an impurity
Energy Technology Data Exchange (ETDEWEB)
Boz, Figen Karaca, E-mail: figenb@trakya.edu.tr; Nisanci, Beyza; Aktas, Saban; Okan, S. Erol
2016-11-30
Highlights: • Energy levels and probability distribution of an electron in GaAs/AlxGa1-xAs/AlAs spherical quantum dot were calculated. • The size effects on the electronic binding energy were determined within a core/shell/shell model. • The differences between the impurity energies of the first and the second levels are detected. - Abstract: We have calculated the energy levels and the radial probability distributions of an electron with an impurity in a spherical quantum dot which is layered as GaAs/Al{sub x}Ga{sub 1-x}As/AlAs. The numerical method used is the fourth-order Runge–Kutta method in the framework of the effective mass approximation. The variation of the energy levels have been calculated as functions of the radius of the GaAs sphere and the thickness of Al{sub x}Ga{sub 1-x}As spherical layer considering effective mass and dielectric constant mismatches. The results have presented the importance of the geometry on the electronic properties of the spherical GaAs/Al{sub x}Ga{sub 1-x}As/AlAs quantum dot.
International Nuclear Information System (INIS)
Ayoub, N.Y.
1980-02-01
The ground and some excited O + (J=O, T=O positive parity) energy levels of closed-shell nuclei are examined, in an oscillator basis, using matrix techniques. The effect of states outside the mixed (O+2(h/2π)ω). model space in 4 He (namely configurations at 4(h/2π)ω excitation) are taken into account by renormalization using the generalized Rayleigh-Schroedinger perturbation expressions for a mixed multi-configurational model space, where the resultant non-symmetric energy matrices are diagonalized. It is shown that the second-order renormalized O + energy spectrum is close to the corresponding energy spectrum obtained by diagonalizing the O+2+4(h/2π)ω 4 He energy matrix. The effect, on the ground state and the first few low-lying excited O + energy levels, of renormalizing certain parts of the model space energy matrix up to second order in various approximations is also studied in 4 He and 16 O. It is found that the low-lying O + energy levels in these various approximations behave similarly in both 4 He and 16 O. (author)
Laboratory Density Functionals
Giraud, B. G.
2007-01-01
We compare several definitions of the density of a self-bound system, such as a nucleus, in relation with its center-of-mass zero-point motion. A trivial deconvolution relates the internal density to the density defined in the laboratory frame. This result is useful for the practical definition of density functionals.
International Nuclear Information System (INIS)
Stoner, J.O. Jr.
1991-01-01
The densities of arc-evaporated carbon target foils have been measured by several methods. The density depends upon the method used to measure it; for the same surface density, values obtained by different measurement techniques may differ by fifty percent or more. The most reliable density measurements are by flotation, yielding a density of 2.01±0.03 g cm -3 , and interferometric step height with the surface density known from auxiliary measurements, yielding a density of 2.61±0.4 g cm -3 . The difference between these density values mayy be due in part to the compressive stresses that carbon films have while still on their substrates, uncertainties in the optical calibration of surface densities of carbon foils, and systematic errors in step-height measurements. Mechanical thickness measurements by micrometer caliper are unreliable due to nonplanarity of these foils. (orig.)
On the study of level density parameters for some deformed light nuclei
International Nuclear Information System (INIS)
Sonmezoglu, S.
2005-01-01
The nuclear level density, which is the number of energy levels/MeV at an excitation energy Ex , is a characteristic property of every nucleus. Total level densities are among the key quantities in statistical calculations in many fields, such as nuclear physics, astrophysics, spallation s neutrons measurements, and studies of intermediate-energy heavy-ion collisions. The nuclear level density is an important physical quantity both from the fundamental point of view as well as in understanding the particle and gamma ray emission in various reactions. In light and heavy deformed nucleus, the gamma-ray energies drop with decreasing spin in a very regular fashion. The nuclear level density parameters have been usually used in investigation of the nuclear level density. This parameter itself changes with excitation energy depending on both shell effect in the single particle model and different excitation modes in the collective models. In this study, the energy level density parameters of some deformed light nucleus (40 C a, 47 T i, 59 N i, 79 S e, 80 B r) are determined by using energy spectrum of the interest nucleus for different band. In calculation of energy-level density parameters dependent upon excitation energy of nuclei studied, a model was considered which relies on the fact that energy levels of deformed light nuclei, just like those of deformed heavy nuclei, are equidistant and which relies on collective motions of their nucleons. The present calculation results have been compared with the corresponding experimental and theoretical results. The obtained results are in good agreement with the experimental results
U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...
Energy level properties of 4p64d3, 4p64d24f, and 4p54d4 configurations of the W35+ ion
International Nuclear Information System (INIS)
Bogdanovich, P.; Kisielius, R.
2014-01-01
The ab initio quasirelativistic Hartree–Fock method developed specifically for the calculation of spectroscopic parameters of heavy atoms and highly charged ions was used to derive spectral data for the multicharged tungsten ion W 35+ . The configuration interaction method was applied to include the electron-correlation effects. The relativistic effects were taken into account in the Breit–Pauli approximation for quasirelativistic Hartree–Fock radial orbitals. The energy level spectra, radiative lifetimes τ, and Lande g-factors have been calculated for the 4p 6 4d 3 , 4p 6 4d 2 4f, and 4p 5 4d 4 configurations of the W 35+ ion
Directory of Open Access Journals (Sweden)
J. S. Hong
2016-10-01
Full Text Available Abstract Background Providing of insufficient nutrients limits the potential growth of pig, while feeding of excessive nutrients increases the economic loss and causes environment pollution. For these reasons, phase feeding had been introduced in swine farm for improving animal production. This experiment was conducted to evaluate the effects of dietary energy levels and phase feeding by protein levels on growth performance, blood profiles and carcass characteristics in growing-finishing pigs. Methods A total of 128 growing pigs ([Yorkshire × Landrace] × Duroc, averaging 26.62 ± 3.07 kg body weight, were assigned in a 2 × 4 factorial arrangement with 4 pigs per pen. The first factor was two dietary energy level (3,265 kcal of ME/kg or 3,365 kcal of ME/kg, and the second factor was four different levels of dietary protein by phase feeding (1growing(G-2finishing(F phases, 2G-2F phases, 2G-3F phases and 2G-3F phases with low CP requirement. Results In feeding trial, there was no significant difference in growth performance. The BUN concentration was decreased as dietary protein level decreased in 6 week and blood creatinine was increased in 13 week when pigs were fed diets with different dietary energy level. The digestibility of crude fat was improved as dietary energy levels increased and excretion of urinary nitrogen was reduced when low protein diet was provided. Chemical compositions of longissimus muscle were not affected by dietary treatments. In backfat thickness (P2 at 13 week, pigs fed high energy diet had thicker backfat thickness (P = 0.06 and pigs fed low protein diet showed the trend of backfat thinness reduction (P = 0.09. In addition, water holding capacity was decreased (P = 0.01 and cooking loss was increased (P = 0.07 as dietary protein level reduced. When pigs were fed high energy diet with low subdivision of phase feeding, days to 120 kg market weight was reached earlier compared to
High accuracy results for the energy levels of the molecular ions H+2, D+2 and HD+, up to J = 2
International Nuclear Information System (INIS)
Karr, J Ph; Hilico, L
2006-01-01
We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H + 2 , D + 2 and HD + , relying on the diagonalization of the exact three-body Hamiltonian in a variational basis. The J = 2 levels are obtained with a very high accuracy of 10 -14 au (for most levels) representing an improvement by five orders of magnitude over previous calculations. The accuracy is also improved for the J = 1 levels of H + 2 and D + 2 with respect to earlier works. Moreover, we have computed the sensitivities of the energy levels with respect to the mass ratios, allowing these levels to be used for metrological purposes
Energy levels and radiative rates for transitions in B-like to F-like Xe ions (Xe L-XLVI)
International Nuclear Information System (INIS)
Aggarwal, K.M.; Keenan, F.P.; Lawson, K.D.
2010-01-01
Energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Xe ions, Xe L-XLVI. For the calculations, a fully relativistic GRASP code has been adopted, and results are reported for all electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions among the lowest 125, 236, 272, 226, and 113 levels of Xe L, Xe XLIX, Xe XLVIII, Xe XLVII, and Xe XLVI, respectively, belonging to the n ≤ 3 configurations.
Achieving maximum baryon densities
International Nuclear Information System (INIS)
Gyulassy, M.
1984-01-01
In continuing work on nuclear stopping power in the energy range E/sub lab/ approx. 10 GeV/nucleon, calculations were made of the energy and baryon densities that could be achieved in uranium-uranium collisions. Results are shown. The energy density reached could exceed 2 GeV/fm 3 and baryon densities could reach as high as ten times normal nuclear densities
Design and Environment, 1972
1972-01-01
Three-part report pinpointing problems and uncovering solutions for the dual concepts of density (ratio of people to space) and crowding (psychological response to density). Section one, A Primer on Crowding,'' reviews new psychological and social findings; section two, Density in the Suburbs,'' shows conflict between status quo and increased…
2014-01-01
We demonstrate through PdO doping that creation of heterojunctions on Co3O4 nanoparticles can quantitatively adjust band-gap and Fermi energy levels to study the impact of metal oxide nanoparticle semiconductor properties on cellular redox homeostasis and hazard potential. Flame spray pyrolysis (FSP) was used to synthesize a nanoparticle library in which the gradual increase in the PdO content (0–8.9%) allowed electron transfer from Co3O4 to PdO to align Fermi energy levels across the heterojunctions. This alignment was accompanied by free hole accumulation at the Co3O4 interface and production of hydroxyl radicals. Interestingly, there was no concomitant superoxide generation, which could reflect the hole dominance of a p-type semiconductor. Although the electron flux across the heterojunctions induced upward band bending, the Ec levels of the doped particles showed energy overlap with the biological redox potential (BRP). This allows electron capture from the redox couples that maintain the BRP from −4.12 to −4.84 eV, causing disruption of cellular redox homeostasis and induction of oxidative stress. PdO/Co3O4 nanoparticles showed significant increases in cytotoxicity at 25, 50, 100, and 200 μg/mL, which was enhanced incrementally by PdO doping in BEAS-2B and RAW 264.7 cells. Oxidative stress presented as a tiered cellular response involving superoxide generation, glutathione depletion, cytokine production, and cytotoxicity in epithelial and macrophage cell lines. A progressive series of acute pro-inflammatory effects could also be seen in the lungs of animals exposed to incremental PdO-doped particles. All considered, generation of a combinatorial PdO/Co3O4 nanoparticle library with incremental heterojunction density allowed us to demonstrate the integrated role of Ev, Ec, and Ef levels in the generation of oxidant injury and inflammation by the p-type semiconductor, Co3O4. PMID:24673286
Zhang, Haiyuan; Pokhrel, Suman; Ji, Zhaoxia; Meng, Huan; Wang, Xiang; Lin, Sijie; Chang, Chong Hyun; Li, Linjiang; Li, Ruibin; Sun, Bingbing; Wang, Meiying; Liao, Yu-Pei; Liu, Rong; Xia, Tian; Mädler, Lutz; Nel, André E
2014-04-30
We demonstrate through PdO doping that creation of heterojunctions on Co3O4 nanoparticles can quantitatively adjust band-gap and Fermi energy levels to study the impact of metal oxide nanoparticle semiconductor properties on cellular redox homeostasis and hazard potential. Flame spray pyrolysis (FSP) was used to synthesize a nanoparticle library in which the gradual increase in the PdO content (0-8.9%) allowed electron transfer from Co3O4 to PdO to align Fermi energy levels across the heterojunctions. This alignment was accompanied by free hole accumulation at the Co3O4 interface and production of hydroxyl radicals. Interestingly, there was no concomitant superoxide generation, which could reflect the hole dominance of a p-type semiconductor. Although the electron flux across the heterojunctions induced upward band bending, the E(c) levels of the doped particles showed energy overlap with the biological redox potential (BRP). This allows electron capture from the redox couples that maintain the BRP from -4.12 to -4.84 eV, causing disruption of cellular redox homeostasis and induction of oxidative stress. PdO/Co3O4 nanoparticles showed significant increases in cytotoxicity at 25, 50, 100, and 200 μg/mL, which was enhanced incrementally by PdO doping in BEAS-2B and RAW 264.7 cells. Oxidative stress presented as a tiered cellular response involving superoxide generation, glutathione depletion, cytokine production, and cytotoxicity in epithelial and macrophage cell lines. A progressive series of acute pro-inflammatory effects could also be seen in the lungs of animals exposed to incremental PdO-doped particles. All considered, generation of a combinatorial PdO/Co3O4 nanoparticle library with incremental heterojunction density allowed us to demonstrate the integrated role of E(v), E(c), and E(f) levels in the generation of oxidant injury and inflammation by the p-type semiconductor, Co3O4.
Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H.; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien
2018-02-01
Quantum mechanical calculations of ro-vibrational energies of CH4, CHD3, CH3D, and CH3F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH3. Euler angles specifying the orientation of a frame attached to CH3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH4, CHD3, and CH3D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH3F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.
International Nuclear Information System (INIS)
Jungen, C.; Dabrowski, I.; Herzberg, G.; Vervloet, M.
1990-01-01
The 5g--4 f Rydberg groups of H 2 and D 2 first studied in paper I have been obtained with a tenfold increase in resolution which made it possible to resolve the singlet from the triplet components. As a result we can now establish separately precise values for the energy levels in the triplet and singlet systems. For this purpose we have remeasured a number of transitions between the lower energy levels for which at present only old measurements are available. In particular we obtain accurate values for the energies of the lowest (stable) triplet state a 3 Σ + g relative to the singlet ground state, as well as of the ionization potential. The values obtained for the former are more accurate than obtained from singlet--triplet anticrossings while the latter are of similar accuracy as those reported recently by McCormack et al. [Phys. Rev. A 39, 2260 (1989)] and fit well within this accuracy with the most recent ab initio values
Kwon, Hyuck Hoon; Choi, Sun Chul; Lee, Won-Yong; Jung, Jae Yoon; Park, Gyeong-Hun
2018-03-01
Enlarged facial pores can be an early manifestation of skin aging and they are a common aesthetic concern for Asians. However, studies of improving the appearance of enlarged pores have been limited. The authors aimed to study the application of CO2 fractional laser treatment in patients with enlarged facial pores. A total of 32 patients with dilated facial pores completed 3 consecutive sessions of low energy level treatments with a fractional CO2 laser at 4-week intervals. Image analysis was performed to calculate the number of enlarged pores before each treatment session and 12 weeks after the final treatment. After application of laser treatments, there was a significant decrease in the number of enlarged pores. The mean number of enlarged pores was decreased by 28.8% after the second session and by 54.5% at post-treatment evaluation. Post-treatment side effects were mild and transitory. Histological and immunohistochemical analyses demonstrated clear increases in the number of collagen fibers and the expression of transforming growth factor-β1. The short-term results showed that treatment with low energy level CO2 fractional laser therapy could be a safe and effective option for patients with Fitzpatrick skin Types III and IV who are concerned with enlarged pores.
Yun, Dong-Jin; Shin, Weon-Ho; Bulliard, Xavier; Park, Jong Hwan; Kim, Seyun; Chung, Jae Gwan; Kim, Yongsu; Heo, Sung; Kim, Seong Heon
2016-08-26
A novel, direct method for the characterization of the energy level alignments at bulk-heterojunction (BHJ)/electrode interfaces on the basis of electronic spectroscopy measurements is proposed. The home-made in situ photoemission system is used to perform x-ray/ultraviolet photoemission spectroscopy (XPS/UPS), reflection electron energy loss spectroscopy (REELS) and inverse photoemission spectroscopy of organic-semiconductors (OSCs) deposited onto a Au substrate. Through this analysis system, we are able to obtain the electronic structures of a boron subphthalocyanine chloride:fullerene (SubPC:C60) BHJ and those of the separate OSC/electrode structures (SubPC/Au and C60/Au). Morphology and chemical composition analyses confirm that the original SubPC and C60 electronic structures remain unchanged in the electrodes prepared. Using this technique, we ascertain that the position and area of the nearest peak to the Fermi energy (EF = 0 eV) in the UPS (REELS) spectra of SubPC:C60 BHJ provide information on the highest occupied molecular orbital level (optical band gap) and combination ratio of the materials, respectively. Thus, extracting the adjusted spectrum from the corresponding SubPC:C60 BHJ UPS (REELS) spectrum reveals its electronic structure, equivalent to that of the C60 materials. This novel analytical approach allows complete energy-level determination for each combination ratio by separating its electronic structure information from the BHJ spectrum.
Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien
2018-02-21
Quantum mechanical calculations of ro-vibrational energies of CH 4 , CHD 3 , CH 3 D, and CH 3 F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH 3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH 3 . Euler angles specifying the orientation of a frame attached to CH 3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH 4 , CHD 3 , and CH 3 D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH 3 F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.
International Nuclear Information System (INIS)
Aggarwal, Kanti M; Keenan, Francis P
2013-01-01
We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV. The grasp (general-purpose relativistic atomic structure package) is adopted for calculating energy levels and radiative rates. For determining the collision strengths, and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 49 levels of each ion. Additionally, theoretical lifetimes are provided for all 49 levels of the above five ions. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 10 8 K. Comparisons are made with similar data obtained using the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for some forbidden transitions, are also discussed. Finally, discrepancies between the present results for effective collision strengths with the darc code and earlier semi-relativistic R-matrix data are noted over a wide range of electron temperatures for many transitions in all ions. (paper)
Aggarwal, Kanti M.; Keenan, Francis P.
2013-04-01
We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV. The grasp (general-purpose relativistic atomic structure package) is adopted for calculating energy levels and radiative rates. For determining the collision strengths, and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 49 levels of each ion. Additionally, theoretical lifetimes are provided for all 49 levels of the above five ions. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 108 K. Comparisons are made with similar data obtained using the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for some forbidden transitions, are also discussed. Finally, discrepancies between the present results for effective collision strengths with the darc code and earlier semi-relativistic R-matrix data are noted over a wide range of electron temperatures for many transitions in all ions.
Calculations on the vibrational level density in highly excited formaldehyde
International Nuclear Information System (INIS)
Rashev, Svetoslav; Moule, David C.
2003-01-01
The object of the present work is to develop a model that provides realistic estimates of the vibrational level density in polyatomic molecules in a given electronic state, at very high (chemically relevant) vibrational excitation energies. For S 0 formaldehyde (D 2 CO), acetylene, and a number of triatomics, the estimates using conventional spectroscopic formulas have yielded densities at the dissociation threshold, very much lower than the experimentally measured values. In the present work we have derived a general formula for the vibrational energy levels of a polyatomic molecule, which is a generalization of the conventional Dunham spectroscopic expansion. Calculations were performed on the vibrational level density in S 0 D 2 CO, H 2 C 2 , and NO 2 at excitation energies in the vicinity of the dissociation limit, using the newly derived formula. The results from the calculations are in reasonable agreement with the experimentally measured data
Probability densities and Lévy densities
DEFF Research Database (Denmark)
Barndorff-Nielsen, Ole Eiler
For positive Lévy processes (i.e. subordinators) formulae are derived that express the probability density or the distribution function in terms of power series in time t. The applicability of the results to finance and to turbulence is briefly indicated.......For positive Lévy processes (i.e. subordinators) formulae are derived that express the probability density or the distribution function in terms of power series in time t. The applicability of the results to finance and to turbulence is briefly indicated....
Modeling charged defects inside density functional theory band gaps
International Nuclear Information System (INIS)
Schultz, Peter A.; Edwards, Arthur H.
2014-01-01
Density functional theory (DFT) has emerged as an important tool to probe microscopic behavior in materials. The fundamental band gap defines the energy scale for charge transition energy levels of point defects in ionic and covalent materials. The eigenvalue gap between occupied and unoccupied states in conventional DFT, the Kohn–Sham gap, is often half or less of the experimental band gap, seemingly precluding quantitative studies of charged defects. Applying explicit and rigorous control of charge boundary conditions in supercells, we find that calculations of defect energy levels derived from total energy differences give accurate predictions of charge transition energy levels in Si and GaAs, unhampered by a band gap problem. The GaAs system provides a good theoretical laboratory for investigating band gap effects in defect level calculations: depending on the functional and pseudopotential, the Kohn–Sham gap can be as large as 1.1 eV or as small as 0.1 eV. We find that the effective defect band gap, the computed range in defect levels, is mostly insensitive to the Kohn–Sham gap, demonstrating it is often possible to use conventional DFT for quantitative studies of defect chemistry governing interesting materials behavior in semiconductors and oxides despite a band gap problem
Split energy level radiation detection
International Nuclear Information System (INIS)
Barnes, G.T.
1986-01-01
This patent describes an energy discriminating radiation detector comprising: (a) a first element comprising a first material of a kind which is preferentially responsive to penetrative radiation of a first energy range; (b) a second element comprising a second material different in kind from the first material and of a kind which is preferentially responsive to penetrative radiation of second energy range extending higher than the first energy range. The element is positioned to receive radiation which has penetrated through a portion of the first element; and (c) a filter of penetrative radiation interposed between the first and second elements
DEFF Research Database (Denmark)
Van Assche, P. H. M.; Baader, H. A.; Koch, H. R.
1971-01-01
The low-energy spectrum of the 55Mn(n,γ)56 Mn reaction has been studied with a γ-diffraction spectrometer. These data allowed the construction of a level scheme for 56Mn with two previously unobserved doublets. High-energy γ-transitions to the low-energy states have been measured for different...
International Nuclear Information System (INIS)
Borie, E.; Rinker, G.A.
1982-01-01
The theory of muonic atoms is a complex and highly developed combination of nuclear physics, atomic physics, and quantum electrodynamics. Perhaps nowhere else in microscopic physics are such diverse branches so intimately intertwined and yet readily available for precise experimental verification or rejection. In the present review we summarize and discuss all of the most important components of muonic atom theory, and show in selected cases how this theory meets experimental measurements
International Nuclear Information System (INIS)
Arcimowicz, B.
1993-01-01
The thesis concerns establishing the energy scheme of the electronic levels, obtained from the analysis of the investigated spectra of antimony atom and ions (Sb I, Sb II, Sb III) and higher ionized mercury (Hg IV) and cesium (Cs X) atoms. The experimental studies were performed with optical spectroscopy methods. The spectra of the elements under study obtained in the spectral range from visible (680 nm) to vacuum UV (40 nm) were analysed. The classification and spectroscopic designation of the experimentally established 169 energy levels were obtained on the basis of the performed calculations and the fine structure analysis. The following configurations were considered: 5s 2 5p 2 ns, 5s 2 5p 2 n'd, 5s5p 4 of the antimony atom, 5s 2 5pns, 5s 2 5pn'd, 5s5p 3 of the ion Sb II, 5s 2 ns, 5s 2 n'd, 5s5p 2 of the on Sb III, 5d 8 6p of the ion Hg IV 4d 9 5s and 4d 9 5p Cs X. A reclassification was performed and some changes were introduced to the existing energy level scheme of the antimony atom, with the use of the information obtained from the absorption spectrum taken in the VUV region by the ''flash pyrolysis'' technique. The measurements of the hyperfine splittings in 19 spectral lines belonging to the antimony atom and ions additionally confirmed the assumed classification of the levels involved in these lines. The energy level scheme, obtained for Sb III, was compared to the other ones in the isoelectronic sequence starting with In I. On the basis of the analysis of the Hg IV spectrum it was proved that ground configuration of the three times ionized mercury atom is 5d 9 not 5d 8 6s as assumed until now. The fine structure, established from the analysis of the spectra of the elements under study was examined in multiconfiguration approximation. As a result of the performed calculations the fine structure parameters and wavefunctions were determined for the levels whose energy values were experimentally established in the thesis. (author). 140 refs, 22 figs, 17
Why Density Dependent Propulsion?
Robertson, Glen A.
2011-01-01
In 2004 Khoury and Weltman produced a density dependent cosmology theory they call the Chameleon, as at its nature, it is hidden within known physics. The Chameleon theory has implications to dark matter/energy with universe acceleration properties, which implies a new force mechanism with ties to the far and local density environment. In this paper, the Chameleon Density Model is discussed in terms of propulsion toward new propellant-less engineering methods.
International Nuclear Information System (INIS)
Tendler, M.
1984-06-01
The energy loss from a tokamak plasma due to neutral hydrogen radiation and recycling is of great importance for the energy balance at the periphery. It is shown that the requirement for thermal equilibrium implies a constraint on the maximum attainable edge density. The relation to other density limits is discussed. The average plasma density is shown to be a strong function of the refuelling deposition profile. (author)
International Nuclear Information System (INIS)
Grimes, S.M.
2005-01-01
Recent research in the area of nuclear level densities is reviewed. The current interest in nuclear astrophysics and in structure of nuclei off of the line of stability has led to the development of radioactive beam facilities with larger machines currently being planned. Nuclear level densities for the systems used to produce the radioactive beams influence substantially the production rates of these beams. The modification of level-density parameters near the drip lines would also affect nucleosynthesis rates and abundances
International Nuclear Information System (INIS)
Carr-Brion, K.G.; Keen, E.F.
1982-01-01
System for determining the true density of a fluent mixture such as a liquid slurry, containing entrained gas, such as air comprises a restriction in pipe through which at least a part of the mixture is passed. Density measuring means such as gamma-ray detectors and source measure the apparent density of the mixture before and after its passage through the restriction. Solid-state pressure measuring devices are arranged to measure the pressure in the mixture before and after its passage through the restriction. Calculating means, such as a programmed microprocessor, determine the true density from these measurements using relationships given in the description. (author)
International Nuclear Information System (INIS)
Bogdanovich, P.; Kisielius, R.
2012-01-01
The ab initio quasirelativistic Hartree–Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions was applied to determine atomic data for tungsten ions. The correlation effects were included by adopting the configuration interaction method. The Breit–Pauli approximation for quasirelativistic Hartree–Fock radial orbitals was employed to take into account relativistic effects. The energy level spectra, radiative lifetimes, Lande factors g were calculated for the 4p 6 4d, 4p 6 4f and 4p 5 4d 2 configurations of W 37+ ion. The atomic data, namely, the transition wavelengths, spontaneous emission rates and oscillator strengths for the electric dipole, electric quadrupole and magnetic dipole transitions among and within the levels of these configurations are tabulated.
Energy Technology Data Exchange (ETDEWEB)
Jaque, D.; Capmany, J.; Garcia Sole, J. [Departamento de Fisica de Materiales, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Luo, Z.D. [Fujian Institute of Research on The Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)
1997-11-03
In this paper the polarized optical spectra (absorption and fluorescence) of the Nd{sup 3+} ion in the YAl{sub 3}(BO{sub 3}){sub 4} nonlinear crystal have been systematically investigated at low (10 K) and room temperature. Most energy levels of Nd{sup 3+} in this crystal (103) have been identified and conveniently labelled with their crystal field quantum numbers, {mu}=1/2 and {mu}=3/2. The radiative emitting states have been identified. Analysing the optical absorption spectra with the anisotropic Judd-Ofelt theory, the radiative lifetimes and branching ratios from the metastable state {sup 4}F{sub 3/2} have been calculated. Then, relevant spectroscopic parameters (quantum efficiency and emission cross sections) for laser applications have been estimated. Infrared to visible up-conversion is reported for the first time in this host crystal. (author)
Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.
2017-04-01
In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.
Energy Technology Data Exchange (ETDEWEB)
Bos, Adrie J.J., E-mail: a.j.j.bos@tudelft.n [Delft University of Technology, Mekelweg 15, NL 2629 JB Delft (Netherlands); Poolton, Nigel R.J. [Delft University of Technology, Mekelweg 15, NL 2629 JB Delft (Netherlands); Institute of Maths and Physics, Aberystwyth University, Aberystwyth SY23 3BZ (United Kingdom); Wallinga, Jakob [Netherlands Centre for Luminescence Dating, Delft University of Technology, Mekelweg 15, NL 2629 JB Delft (Netherlands); Bessiere, Aurelie [Ecole Nat. Superieure de Chimie de Paris, 11 Rue P et M Curie, 75231 Paris Cedex 05 (France); Dorenbos, Pieter [Delft University of Technology, Mekelweg 15, NL 2629 JB Delft (Netherlands)
2010-03-15
Energy-resolved optically stimulated luminescence (OSL) spectra and thermoluminescence (TL) glow curves of a powder sample of YPO{sub 4}:Ce{sup 3+},Sm{sup 3+} were measured to investigate the nature of the trapping centre and to locate its energy level relative to the valence and conduction bands of the YPO{sub 4} host. The high-temperature glow peak could unequivocally be assigned to Sm{sup 2+} (thus Sm{sup 3+} acts as an electron trap). The trap depth of this centre, as derived from the OSL excitation spectra, is in good agreement with the Dorenbos model prediction. The OSL excitation spectra also reveal excited states of Sm{sup 2+} well below the conduction band. These excited states produce a broadening of the high-temperature TL glow peak and also cause the activation energy determined by the Hoogenstraten method to underestimate the trap depth.
International Nuclear Information System (INIS)
Medaglia, R.
1999-08-01
In this work, the spectral functions and the spectroscopic factors of the first five energy levels of the lead 208 nucleus have been measured using the 208 Pb(e,e'p) 207 Tl * reaction. The aim is to characterize the effect of the nuclear environment on pulse and energy distributions of protons. In order to minimize the ejected proton-residual nucleus interactions in the final state, the measurement has been performed at 750 and 570 MeV/c pulse transfers, and thus for proton kinetic energies of 263 MeV and 161 MeV, contrarily to a previous measurement performed at 100 MeV. A kinematics with a transverse electromagnetic coupling, instead of a longitudinal one, has been used because of the important coupling dependence observed for medium nuclei. The experiment has been carried out at the NIKHEF electron accelerator and smoothing ring. The pulse distributions of the first five energy levels for a proton pulse range of 0 to 300 MeV/c have been extracted from the (e,e'p) cross sections. An integration of model-dependent distributions gives the spectroscopic factors which indicate the number of protons of each level. These data rae compared to models that include both the proton interactions in the final state and the coulomb distortions. The Pavie model reproduces well the observed distributions and the transfer dependence, while the Ohio model does not. The spectroscopic factors obtained with the Pavie model are the same for both transfers and are 20% higher as an average than the previous experiment performed at 450 MeV/c. However, they are 30% below the shell model. The uncertain estimation of the reaction mechanisms does not allow to consider this reduction as being due exclusively to nuclear structure effects. (J.S.)
Liechty, Derek S.
2014-01-01
The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for near-equilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion.
Liechty, Derek S.
2013-01-01
The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for nearequilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion of the heating and is then compared to the total heating measured in flight.
The energy level alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/pentacene interface
Energy Technology Data Exchange (ETDEWEB)
Ji, Gengwu [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); University of Chinese Academy of Science, Beijing 100049 (China); Zhao, Bin; Song, Fei [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Zheng, Guanhaojie; Zhang, Xiaonan [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); University of Chinese Academy of Science, Beijing 100049 (China); Shen, Kongchao [Department of Physics, Zhejiang University, Hangzhou 310027 (China); Yang, Yingguo [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Chen, Shi, E-mail: ChenShi@ntu.edu.sg [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371 (Singapore); Gao, Xingyu, E-mail: gaoxingyu@sinap.ac.cn [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China)
2017-01-30
Highlights: • The Energy Level Alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/Pentacene Interface was resolved experimentally. • The downward band bending and the dipole found at the pentacene side would favorably drive holes away from the interface into pentacene. • A ∼0.7 eV offset between pentacene HOMO and CH{sub 3}NH{sub 3}PbI{sub 3} VBM would be in favor of hole transfer whereas a ∼1.35 eV offset between pentacene LUMO and CH{sub 3}NH{sub 3}PbI{sub 3} CBM should efficiently block the unwanted electron transfer from perovskite to pentacene. • Pentacene could be a viable hole transfer material candidate on perovskite to be explored in perovskite devices. - Abstract: Pentacene thin film on CH{sub 3}NH{sub 3}PbI{sub 3} was studied by in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy to determine their interfacial energy level alignment. A 0.2 eV downward band bending together with a 0.1 eV interfacial dipole was found at the pentacene side, whereas there was no band bending found at the CH{sub 3}NH{sub 3}PbI{sub 3} side. The offset between CH{sub 3}NH{sub 3}PbI{sub 3} Valance Band Maximum (VBM) and pentacene Highest Occupied Molecular Orbital (HOMO) and that between CH{sub 3}NH{sub 3}PbI{sub 3} Conduction Band Minimum (CBM) and pentacene Lowest Unoccupied Molecular Orbital (LUMO) was determined to be 0.7 and 1.35 eV, respectively. The band alignment at this interface is favor of efficient hole transfer, which suggests pentacene as a viable HTL candidate to be explored in perovskite solar cells.
Liu, Xiaoliang; Yi, Shijuan; Wang, Chenggong; Wang, Congcong; Gao, Yongli
2014-04-01
The electronic structure evolution and energy level alignment have been investigated at interfaces comprising fullerene (C60)/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine] (TAPC)/ molybdenum oxide (MoOx)/ indium tin oxide with ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. With deposition of TAPC upon MoOx, a dipole of 1.58 eV was formed at the TAPC/MoOx interface due to electron transfer from TAPC to MoOx. The highest occupied molecular orbital (HOMO) onset of TAPC was pinned closed to the Fermi level, leading to a p-doped region and thus increasing the carrier concentration at the very interface. The downward band bending and the resulting built-in field in TAPC were favorable for the hole transfer toward the TAPC/MoOx interface. The rigid downward shift of energy levels of TAPC indicated no significant interface chemistry at the interface. With subsequent deposition of C60 on TAPC, a dipole of 0.27 eV was observed at the C60/TAPC heterojunction due to the electron transfer from TAPC to C60. This led to a drop of the HOMO of TAPC near the C60/TAPC interface, and hence further enhanced the band bending in TAPC. The band bending behavior was also observed in C60, similarly creating a built-in field in C60 film and improving the electron transfer away from the C60/TAPC interface. It can be deduced from the interface analysis that a promising maximum open circuit voltage of 1.5 eV is achievable in C60/TAPC-based organic photovoltaic cells.
On density forecast evaluation
Diks, C.
2008-01-01
Traditionally, probability integral transforms (PITs) have been popular means for evaluating density forecasts. For an ideal density forecast, the PITs should be uniformly distributed on the unit interval and independent. However, this is only a necessary condition, and not a sufficient one, as
Learning Grasp Affordance Densities
DEFF Research Database (Denmark)
Detry, Renaud; Kraft, Dirk; Kroemer, Oliver
2011-01-01
and relies on kernel density estimation to provide a continuous model. Grasp densities are learned and refined from exploration, by letting a robot “play” with an object in a sequence of graspand-drop actions: The robot uses visual cues to generate a set of grasp hypotheses; it then executes......We address the issue of learning and representing object grasp affordance models. We model grasp affordances with continuous probability density functions (grasp densities) which link object-relative grasp poses to their success probability. The underlying function representation is nonparametric...... these and records their outcomes. When a satisfactory number of grasp data is available, an importance-sampling algorithm turns these into a grasp density. We evaluate our method in a largely autonomous learning experiment run on three objects of distinct shapes. The experiment shows how learning increases success...
Fluorescent Fe K Emission from High Density Accretion Disks
Bautista, Manuel; Mendoza, Claudio; Garcia, Javier; Kallman, Timothy R.; Palmeri, Patrick; Deprince, Jerome; Quinet, Pascal
2018-06-01
Iron K-shell lines emitted by gas closely orbiting black holes are observed to be grossly broadened and skewed by Doppler effects and gravitational redshift. Accordingly, models for line profiles are widely used to measure the spin (i.e., the angular momentum) of astrophysical black holes. The accuracy of these spin estimates is called into question because fitting the data requires very high iron abundances, several times the solar value. Meanwhile, no plausible physical explanation has been proffered for why these black hole systems should be so iron rich. The most likely explanation for the super-solar iron abundances is a deficiency in the models, and the leading candidate cause is that current models are inapplicable at densities above 1018 cm-3. We study the effects of high densities on the atomic parameters and on the spectral models for iron ions. At high densities, Debye plasma can affect the effective atomic potential of the ions, leading to observable changes in energy levels and atomic rates with respect to the low density case. High densities also have the effec of lowering energy the atomic continuum and reducing the recombination rate coefficients. On the spectral modeling side, high densities drive level populations toward a Boltzman distribution and very large numbers of excited atomic levels, typically accounted for in theoretical spectral models, may contribute to the K-shell spectrum.
Lazzeretti, Paolo
2018-04-01
It is shown that nonsymmetric second-rank current density tensors, related to the current densities induced by magnetic fields and nuclear magnetic dipole moments, are fundamental properties of a molecule. Together with magnetizability, nuclear magnetic shielding, and nuclear spin-spin coupling, they completely characterize its response to magnetic perturbations. Gauge invariance, resolution into isotropic, deviatoric, and antisymmetric parts, and contributions of current density tensors to magnetic properties are discussed. The components of the second-rank tensor properties are rationalized via relationships explicitly connecting them to the direction of the induced current density vectors and to the components of the current density tensors. The contribution of the deviatoric part to the average value of magnetizability, nuclear shielding, and nuclear spin-spin coupling, uniquely determined by the antisymmetric part of current density tensors, vanishes identically. The physical meaning of isotropic and anisotropic invariants of current density tensors has been investigated, and the connection between anisotropy magnitude and electron delocalization has been discussed.
Energy Technology Data Exchange (ETDEWEB)
Onal, Cem, E-mail: hcemonal@hotmail.com; Arslan, Gungor; Dolek, Yemliha; Efe, Esma
2016-01-01
The aim of this study is to evaluate the incidental testicular doses during prostate radiation therapy with intensity-modulated radiotherapy (IMRT) and volumetric-modulated arc radiotherapy (VMAT) at different energies. Dosimetric data of 15 patients with intermediate-risk prostate cancer who were treated with radiotherapy were analyzed. The prescribed dose was 78 Gy in 39 fractions. Dosimetric analysis compared testicular doses generated by 7-field intensity-modulated radiotherapy and volumetric-modulated arc radiotherapy with a single arc at 6, 10, and 15 MV energy levels. Testicular doses calculated from the treatment planning system and doses measured from the detectors were analyzed. Mean testicular doses from the intensity-modulated radiotherapy and volumetric-modulated arc radiotherapy per fraction calculated in the treatment planning system were 16.3 ± 10.3 cGy vs 21.5 ± 11.2 cGy (p = 0.03) at 6 MV, 13.4 ± 10.4 cGy vs 17.8 ± 10.7 cGy (p = 0.04) at 10 MV, and 10.6 ± 8.5 cGy vs 14.5 ± 8.6 cGy (p = 0.03) at 15 MV, respectively. Mean scattered testicular doses in the phantom measurements were 99.5 ± 17.2 cGy, 118.7 ± 16.4 cGy, and 193.9 ± 14.5 cGy at 6, 10, and 15 MV, respectively, in the intensity-modulated radiotherapy plans. In the volumetric-modulated arc radiotherapy plans, corresponding testicular doses per course were 90.4 ± 16.3 cGy, 103.6 ± 16.4 cGy, and 139.3 ± 14.6 cGy at 6, 10, and 15 MV, respectively. In conclusions, this study was the first to measure the incidental testicular doses by intensity-modulated radiotherapy and volumetric-modulated arc radiotherapy plans at different energy levels during prostate-only irradiation. Higher photon energy and volumetric-modulated arc radiotherapy plans resulted in higher incidental testicular doses compared with lower photon energy and intensity-modulated radiotherapy plans.
van Emous, R A; Kwakkel, R P; van Krimpen, M M; Hendriks, W H
2015-05-01
A study with a 2 × 3 × 2 factorial arrangement was conducted to determine the effects of 2 dietary protein levels (high = CPh and low = CPl) during rearing, 3 dietary energy levels (3,000, MEh1; 2,800, MEs1; and 2,600, MEl1, kcal/kg AMEn, respectively) during the first phase of lay, and 2 dietary energy levels (2,800, MEs2; and 3,000, MEh2, kcal/kg AMEn, respectively) during the second phase of lay on body composition and reproduction in broiler breeders. No meaningful interactions for energy and protein treatments within the different phases of the study were found and, therefore, this paper focusses on the main effects. Pullets fed the CPl diet had a 12.8% higher feed intake, 14% lower breast muscle, and 97% higher abdominal fat pad portion at 22 wk age. The increased abdominal fat pad and decreased breast muscle of the CPl compared to the CPh birds increased hatchability during the first phase of lay, due to a decreased embryonic mortality between d 10 to 21 of incubation, and increased egg production during the second phase of lay. Feeding birds the MEh1 and MEl1 diets slightly decreased egg production compared to the MEs1 birds. Birds fed the MEh1 diet showed a higher mortality compared to the birds fed the MEs1 and MEl1 diets. Feeding birds the MEh2 diet did not affect egg production, increased hatchability of fertile eggs, decreased embryonic mortality between d 3 to 21 of incubation, and increased the number of first-grade chicks. It was concluded that a low-protein diet during rearing changed body composition with positive effects on incubation traits during the first phase of lay and improved egg production during the second phase of lay in broiler breeders. A high-energy or low-energy diet compared to a standard diet during the first phase of lay slightly decreased total and settable egg numbers while a high-energy diet during the second phase of lay increased hatchability and number of saleable chicks. © 2015 Poultry Science Association Inc.
International Nuclear Information System (INIS)
Engel, J.
2007-01-01
The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham procedure slightly to evaluate the mean-field approximation to the functional, and carefully describe the construction of the leading corrections for a system of fermions in one dimension with a spin-degeneracy equal to the number of particles N. Despite the fact that the corrections are complicated and nonlocal, we are able to construct a local Skyrme-like intrinsic-density functional that, while different from the exact functional, shares with it a minimum value equal to the exact ground-state energy at the exact ground-state intrinsic density, to next-to-leading order in 1/N. We briefly discuss implications for real Skyrme functionals
International Nuclear Information System (INIS)
Das, M.P.
1984-07-01
The state of the art of the density functional formalism (DFT) is reviewed. The theory is quantum statistical in nature; its simplest version is the well-known Thomas-Fermi theory. The DFT is a powerful formalism in which one can treat the effect of interactions in inhomogeneous systems. After some introductory material, the DFT is outlined from the two basic theorems, and various generalizations of the theorems appropriate to several physical situations are pointed out. Next, various approximations to the density functionals are presented and some practical schemes, discussed; the approximations include an electron gas of almost constant density and an electron gas of slowly varying density. Then applications of DFT in various diverse areas of physics (atomic systems, plasmas, liquids, nuclear matter) are mentioned, and its strengths and weaknesses are pointed out. In conclusion, more recent developments of DFT are indicated
Low Density Supersonic Decelerators
National Aeronautics and Space Administration — The Low-Density Supersonic Decelerator project will demonstrate the use of inflatable structures and advanced parachutes that operate at supersonic speeds to more...
density functional theory approach
Indian Academy of Sciences (India)
YOGESH ERANDE
2017-07-27
Jul 27, 2017 ... a key role in all optical switching devices, since their optical properties can be .... optimized in the gas phase using Density Functional Theory. (DFT).39 The ...... The Mediation of Electrostatic Effects by Sol- vents J. Am. Chem.
BMD test; Bone density test; Bone densitometry; DEXA scan; DXA; Dual-energy x-ray absorptiometry; p-DEXA; Osteoporosis - BMD ... need to undress. This scan is the best test to predict your risk of fractures, especially of ...
Density scaling for multiplets
International Nuclear Information System (INIS)
Nagy, A
2011-01-01
Generalized Kohn-Sham equations are presented for lowest-lying multiplets. The way of treating non-integer particle numbers is coupled with an earlier method of the author. The fundamental quantity of the theory is the subspace density. The Kohn-Sham equations are similar to the conventional Kohn-Sham equations. The difference is that the subspace density is used instead of the density and the Kohn-Sham potential is different for different subspaces. The exchange-correlation functional is studied using density scaling. It is shown that there exists a value of the scaling factor ζ for which the correlation energy disappears. Generalized OPM and Krieger-Li-Iafrate (KLI) methods incorporating correlation are presented. The ζKLI method, being as simple as the original KLI method, is proposed for multiplets.
International Nuclear Information System (INIS)
Maslov, V.M.
1998-01-01
Fission level densities (or fissioning nucleus level densities at fission saddle deformations) are required for statistical model calculations of actinide fission cross sections. Back-shifted Fermi-Gas Model, Constant Temperature Model and Generalized Superfluid Model (GSM) are widely used for the description of level densities at stable deformations. These models provide approximately identical level density description at excitations close to the neutron binding energy. It is at low excitation energies that they are discrepant, while this energy region is crucial for fission cross section calculations. A drawback of back-shifted Fermi gas model and traditional constant temperature model approaches is that it is difficult to include in a consistent way pair correlations, collective effects and shell effects. Pair, shell and collective properties of nucleus do not reduce just to the renormalization of level density parameter a, but influence the energy dependence of level densities. These effects turn out to be important because they seem to depend upon deformation of either equilibrium or saddle-point. These effects are easily introduced within GSM approach. Fission barriers are another key ingredients involved in the fission cross section calculations. Fission level density and barrier parameters are strongly interdependent. This is the reason for including fission barrier parameters along with the fission level densities in the Starter File. The recommended file is maslov.dat - fission barrier parameters. Recent version of actinide fission barrier data obtained in Obninsk (obninsk.dat) should only be considered as a guide for selection of initial parameters. These data are included in the Starter File, together with the fission barrier parameters recommended by CNDC (beijing.dat), for completeness. (author)
International Nuclear Information System (INIS)
Belblidia, L.A.; Bratianu, C.
1979-01-01
Boiling flow in a steam generator, a water-cooled reactor, and other multiphase processes can be subject to instabilities. It appears that the most predominant instabilities are the so-called density-wave oscillations. They can cause difficulties for three main reasons; they may induce burnout; they may cause mechanical vibrations of components; and they create system control problems. A comprehensive review is presented of experimental and theoretical studies concerning density-wave oscillations. (author)
International Nuclear Information System (INIS)
Stankus, S.V.; Basin, A.S.
1983-01-01
Results are presented for measurements of the density of metallic ytterbium in the liquid state and at the liquid-solid phase transition. Based on the numerical data obtained, the coefficient of thermal expansion βZ of the liquid and the density discontinuity on melting deltarho/sub m/ are calculated. The magnitudes of βZ and deltarho/sub m/ for the heavy lanthanides are compared
International Nuclear Information System (INIS)
Igor Kaganovich
2000-01-01
Negative ions tend to stratify in electronegative plasmas with hot electrons (electron temperature Te much larger than ion temperature Ti, Te > Ti ). The boundary separating a plasma containing negative ions, and a plasma, without negative ions, is usually thin, so that the negative ion density falls rapidly to zero-forming a negative ion density front. We review theoretical, experimental and numerical results giving the spatio-temporal evolution of negative ion density fronts during plasma ignition, the steady state, and extinction (afterglow). During plasma ignition, negative ion fronts are the result of the break of smooth plasma density profiles during nonlinear convection. In a steady-state plasma, the fronts are boundary layers with steepening of ion density profiles due to nonlinear convection also. But during plasma extinction, the ion fronts are of a completely different nature. Negative ions diffuse freely in the plasma core (no convection), whereas the negative ion front propagates towards the chamber walls with a nearly constant velocity. The concept of fronts turns out to be very effective in analysis of plasma density profile evolution in strongly non-isothermal plasmas
International Nuclear Information System (INIS)
Fawcett, B.C.
1989-01-01
Calculated weighted oscillator strengths are tabulated for spectral lines of Fe III, Fe IV, Fe V, and Fe VI. The lines belong to transition arrays 3d 6 -3d 5 4p and 3d 5 4s-3d 5 4p in Fe III, 3d 5 -3d 4 4p and 3d 4 4s-3d 4 4p in Fe IV, 3d 4 -3d 3 4p and 3d 3 4s-3d 3 4p in Fe V, and 3d 3 -3d 2 4p and 3d 2 4s-3d 2 4p in Fe VI. For the calculations, Slater parameters are optimized on the basis of minimizing the discrepancies between observed and computed wavelengths. Configuration interaction was included among the 3d n , 3d n-1 4s, 3d n-2 4s 2 , 3d n-1 4d, and 3d n-1 5s even configurations and among the 3d n-1 4p, 3d n-2 4s4p, and 3d n-1 5p odd configurations, with 3p 5 3d n+1 added for Fe VI. Calculated wavelengths are compared with observational data, and the compositions of energy levels are listed. This completes a series of similar computations for these complex configurations covering Fe I to Fe VI
International Nuclear Information System (INIS)
Even, J; Loualiche, S
2003-01-01
The problem of the energy levels and electronic wavefunctions in quantum dots is studied in the parabolic coordinates system. A conventional effective mass Hamiltonian is written. For an infinite potential barrier, it is related to the more general problem of finding the resonance modes in a cavity. The problem is found to be separable for a biconvex-shaped cavity or quantum dot with an infinite potential barrier. This first shape of quantum dot corresponds to the intersection of two orthogonal confocal parabolas. Then plano-convex lens-shaped cavities or quantum dots are studied. This problem is no more separable in the parabolic coordinates but using symmetry properties, we show that the exact solutions of the problem are simple combinations of the previous solutions. The same approach is used for spherical coordinates and hemispherical quantum dots. It is finally shown that convex lens-shaped quantum dots give a good description of self-organized InAs quantum dots grown on InP
International Nuclear Information System (INIS)
Lesage, A. A. J.; Smith, L. W.; Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.; Smith, C. G.; Al-Taie, H.; Kelly, M. J.; See, P.
2015-01-01
A multiplexer technique is used to individually measure an array of 256 split gates on a single GaAs/AlGaAs heterostructure. This results in the generation of large volumes of data, which requires the development of automated data analysis routines. An algorithm is developed to find the spacing between discrete energy levels, which form due to transverse confinement from the split gate. The lever arm, which relates split gate voltage to energy, is also found from the measured data. This reduces the time spent on the analysis. Comparison with estimates obtained visually shows that the algorithm returns reliable results for subband spacing of split gates measured at 1.4 K. The routine is also used to assess direct current bias spectroscopy measurements at lower temperatures (50 mK). This technique is versatile and can be extended to other types of measurements. For example, it is used to extract the magnetic field at which Zeeman-split 1D subbands cross one another
Energy Technology Data Exchange (ETDEWEB)
Ageeva, N. N.; Bronevoi, I. L., E-mail: bil@cplire.ru; Zabegaev, D. N.; Krivonosov, A. N. [Russian Academy of Sciences, Kotel’nikov Institute of Radioengineering and Electronics (Russian Federation)
2016-10-15
Picosecond optical pumping leads to the initiation of intrinsic picosecond stimulated emission in GaAs. As was established previously, due to the interaction of pulses of probe radiation with those of intrinsic emission, the dependence of the absorption α of the probe pulse on its delay τ with respect to the pump pulse is modulated with oscillations. It is found that the oscillatory dependences α(τ) have a similar shape only in the case of certain combinations of energies of the interacting pulses. As a result, it is assumed that the above interaction is, in fact, a synchronization of modulations (formed by pulses) of charge-carrier populations at energy levels; this synchronization occurs in the direction of the reconstruction of detailed equilibrium. The real-time picosecond self-modulation of the absorption α is measured for the first time. The characteristics of this self-modulation as well as absorption α and intrinsic emission self-modulation characteristics measured previously by correlation methods are now accounted for by the concept of synchronization.
Directory of Open Access Journals (Sweden)
Kaats GR
2017-07-01
Full Text Available Gilbert R Kaats,1 Robert B Leckie,2 Nate Mrvichin,1 Sidney J Stohs3 1Integrative Health Technologies, Inc., 2R.B. Leckie Research Consultants, San Antonio, TX, 3Creighton University Medical Center, Omaha, NE, USA Abstract: Using a placebo-controlled double-blinded 30-day protocol, 40 overweight adults were asked to consume a chocolate-flavored chew 15–30 min before their two largest meals of the day. The chews contained either a placebo or an “active” product (100 mg of a bitter orange extract, standardized to 51.5 mg p-synephrine. Subjects completed a 13-item Weight Control Support Scale (WCSS containing eating control, energy level, and palatability subscales daily throughout the study. All 40 subjects completed the study. No adverse effects were reported in either the placebo or active groups. As compared to placebo, subjects consuming the active product reported statistically more (p≤0.001 positive responses on the WCSS as well as on each of the three subscales. This study suggests that, as compared to a placebo control, consuming a chew containing bitter orange extract (51.5 mg p-synephrine 15–30 min before the two largest meals of the day resulted in a statistically significant greater and more positive response to eating/appetite control and a weight-control support scale. Keywords: bitter orange extract, p-synephrine, Citrus aurantium, appetite suppression, energy, safety
Subramanian, Alagesan; Pan, Zhenghui; Zhang, Zhenbo; Ahmad, Imtiaz; Chen, Jing; Liu, Meinan; Cheng, Shuang; Xu, Yijun; Wu, Jun; Lei, Wei; Khan, Qasim; Zhang, Yuegang
2018-04-18
All-inorganic perovskite light-emitting diode (PeLED) has a high stability in ambient atmosphere, but it is a big challenge to achieve high performance of the device. Basically, device design, control of energy-level alignment, and reducing the energy barrier between adjacent layers in the architecture of PeLED are important factors to achieve high efficiency. In this study, we report a CsPbBr 3 -based PeLED with an inverted architecture using lithium-doped TiO 2 nanoparticles as the electron transport layer (ETL). The optimal lithium doping balances the charge carrier injection between the hole transport layer and ETL, leading to superior device performance. The device exhibits a current efficiency of 3 cd A -1 , a luminance efficiency of 2210 cd m -2 , and a low turn-on voltage of 2.3 V. The turn-on voltage is one of the lowest values among reported CsPbBr 3 -based PeLEDs. A 7-fold increase in device efficiencies has been obtained for lithium-doped TiO 2 compared to that for undoped TiO 2 -based devices.
International Nuclear Information System (INIS)
Vaeth, W.
1979-04-01
The correlation of signal components at different frequencies like higher harmonics cannot be detected by a normal power spectral density measurement, since this technique correlates only components at the same frequency. This paper describes a special method for measuring the correlation of two signal components at different frequencies: the CRISS power spectral density. From this new function in frequency analysis, the correlation of two components can be determined quantitatively either they stem from one signal or from two diverse signals. The principle of the method, suitable for the higher harmonics of a signal as well as for any other frequency combinations is shown for the digital frequency analysis technique. Two examples of CRISS power spectral densities demonstrates the operation of the new method. (orig.) [de
International Nuclear Information System (INIS)
Hofman, G.L.
1996-01-01
A fuel development campaign that results in an aluminum plate-type fuel of unlimited LEU burnup capability with an uranium loading of 9 grams per cm 3 of meat should be considered an unqualified success. The current worldwide approved and accepted highest loading is 4.8 g cm -3 with U 3 Si 2 as fuel. High-density uranium compounds offer no real density advantage over U 3 Si 2 and have less desirable fabrication and performance characteristics as well. Of the higher-density compounds, U 3 Si has approximately a 30% higher uranium density but the density of the U 6 X compounds would yield the factor 1.5 needed to achieve 9 g cm -3 uranium loading. Unfortunately, irradiation tests proved these peritectic compounds have poor swelling behavior. It is for this reason that the authors are turning to uranium alloys. The reason pure uranium was not seriously considered as a dispersion fuel is mainly due to its high rate of growth and swelling at low temperatures. This problem was solved at least for relatively low burnup application in non-dispersion fuel elements with small additions of Si, Fe, and Al. This so called adjusted uranium has nearly the same density as pure α-uranium and it seems prudent to reconsider this alloy as a dispersant. Further modifications of uranium metal to achieve higher burnup swelling stability involve stabilization of the cubic γ phase at low temperatures where normally α phase exists. Several low neutron capture cross section elements such as Zr, Nb, Ti and Mo accomplish this in various degrees. The challenge is to produce a suitable form of fuel powder and develop a plate fabrication procedure, as well as obtain high burnup capability through irradiation testing
Levinson, N
1940-01-01
A typical gap theorem of the type discussed in the book deals with a set of exponential functions { \\{e^{{{i\\lambda}_n} x}\\} } on an interval of the real line and explores the conditions under which this set generates the entire L_2 space on this interval. A typical gap theorem deals with functions f on the real line such that many Fourier coefficients of f vanish. The main goal of this book is to investigate relations between density and gap theorems and to study various cases where these theorems hold. The author also shows that density- and gap-type theorems are related to various propertie
International Nuclear Information System (INIS)
Cardoso Junior, J.L.
1982-10-01
Experimental data show that the number of nuclear states increases rapidly with increasing excitation energy. The properties of highly excited nuclei are important for many nuclear reactions, mainly those that go via processes of the compound nucleus type. In this case, it is sufficient to know the statistical properties of the nuclear levels. First of them is the function of nuclear levels density. Several theoretical models which describe the level density are presented. The statistical mechanics and a quantum mechanics formalisms as well as semi-empirical results are analysed and discussed. (Author) [pt
DEFF Research Database (Denmark)
Olsen, Jógvan Magnus Haugaard; Steinmann, Casper; Ruud, Kenneth
2015-01-01
We present a new QM/QM/MM-based model for calculating molecular properties and excited states of solute-solvent systems. We denote this new approach the polarizable density embedding (PDE) model and it represents an extension of our previously developed polarizable embedding (PE) strategy. The PDE...... model is a focused computational approach in which a core region of the system studied is represented by a quantum-chemical method, whereas the environment is divided into two other regions: an inner and an outer region. Molecules belonging to the inner region are described by their exact densities...
Holographic magnetisation density waves
Energy Technology Data Exchange (ETDEWEB)
Donos, Aristomenis [Centre for Particle Theory and Department of Mathematical Sciences, Durham University,Stockton Road, Durham, DH1 3LE (United Kingdom); Pantelidou, Christiana [Departament de Fisica Quantica i Astrofisica & Institut de Ciencies del Cosmos (ICC),Universitat de Barcelona,Marti i Franques 1, 08028 Barcelona (Spain)
2016-10-10
We numerically construct asymptotically AdS black brane solutions of D=4 Einstein theory coupled to a scalar and two U(1) gauge fields. The solutions are holographically dual to d=3 CFTs in a constant external magnetic field along one of the U(1)’s. Below a critical temperature the system’s magnetisation density becomes inhomogeneous, leading to spontaneous formation of current density waves. We find that the transition can be of second order and that the solutions which minimise the free energy locally in the parameter space of solutions have averaged stressed tensor of a perfect fluid.
Akhtar, Mohd Javed; Alhadlaq, Hisham A.; Alshamsan, Aws; Majeed Khan, M. A.; Ahamed, Maqusood
2015-09-01
We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of AlxZn1-xO nanocrystals with the size range of 33-55 nm. Al-doping increased the band gap energy of ZnO nanoparticles (from 3.51 eV for pure to 3.87 eV for Al-doped ZnO). Al-doping also enhanced the cytotoxicity and oxidative stress response of ZnO nanoparticles in MCF-7 cells. The IC50 for undoped ZnO nanoparticles was 44 μg/ml while for the Al-doped ZnO counterparts was 31 μg/ml. Up-regulation of apoptotic genes (e.g. p53, bax/bcl2 ratio, caspase-3 & caspase-9) along with loss of mitochondrial membrane potential suggested that Al-doped ZnO nanoparticles induced apoptosis in MCF-7 cells through mitochondrial pathway. Importantly, Al-doping did not change the benign nature of ZnO nanoparticles towards normal cells suggesting that Al-doping improves the selective cytotoxicity of ZnO nanoparticles toward MCF-7 cells without affecting the normal cells. Our results indicated a novel approach through which the inherent selective cytotoxicity of ZnO nanoparticles against cancer cells can be further improved.
Indian Academy of Sciences (India)
best known for developing the density functional theory (DFT). This is an extremely ... lem that has become famous in popular culture is that of the planet. Tatooine. Fans of ... the Schrödinger equation (or, if relativistic effects are important, the Dirac .... it supplies a moral justification for one's subsequent endeav- ours along ...
Nesin, Gert; Barrow, Lloyd H.
1984-01-01
Describes a fourth-grade unit on density which introduces a concept useful in the study of chemistry and procedures appropriate to the chemistry laboratory. The hands-on activities, which use simple equipment and household substances, are at the level of thinking Piaget describes as concrete operational. (BC)
Seewaldt, Victoria L.
2012-01-01
The identification of a signalling protein that regulates the accumulation of fat and connective tissue in breasts may help to explain why high mammographic density is linked to breast-cancer risk and may provide a marker for predicting this risk.
DEFF Research Database (Denmark)
Reinholdt, Peter; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard
2017-01-01
We analyze the performance of the polarizable density embedding (PDE) model-a new multiscale computational approach designed for prediction and rationalization of general molecular properties of large and complex systems. We showcase how the PDE model very effectively handles the use of large...
Pei, Kai; Wu, Yongzhen; Wu, Wenjun; Zhang, Qiong; Chen, Baoqin; Tian, He; Zhu, Weihong
2012-06-25
Four organic D-A-π-A-featured sensitizers (TQ1, TQ2, IQ1, and IQ2) have been studied for high-efficiency dye-sensitized solar cells (DSSCs). We employed an indoline or a triphenylamine unit as the donor, cyanoacetic acid as the acceptor/anchor, and a thiophene moiety as the conjugation bridge. Additionally, an electron-withdrawing quinoxaline unit was incorporated between the donor and the π-conjugation unit. These sensitizers show an additional absorption band covering the broad visible range in solution. The contribution from the incorporated quinoxaline was investigated theoretically by using DFT and time-dependent DFT. The incorporated low-band-gap quinoxaline unit as an auxiliary acceptor has several merits, such as decreasing the band gap, optimizing the energy levels, and realizing a facile structural modification on several positions in the quinoxaline unit. As demonstrated, the observed additional absorption band is favorable to the photon-to-electron conversion because it corresponds to the efficient electron transitions to the LUMO orbital. Electrochemical impedance spectroscopy (EIS) Bode plots reveal that the replacement of a methoxy group with an octyloxy group can increase the injection electron lifetime by a factor of 2.4. IQ2 and TQ2 can perform well without any co-adsorbent, successfully suppress the charge recombination from TiO(2) conduction band to I(3)(-) in the electrolyte, and enhance the electron lifetime, resulting in a decreased dark current and enhanced open circuit voltage (V(oc)) values. By using a liquid electrolyte, DSSCs based on dye IQ2 exhibited a broad incident photon-to-current conversion efficiency (IPCE) action spectrum and high efficiency (η=8.50 %) with a short circuit current density (J(sc)) of 15.65 mA cm(-2), a V(oc) value of 776 mV, a fill factor (FF) of 0.70 under AM 1.5 illumination (100 mW cm(-2)). Moreover, the overall efficiency remained at 97% of the initial value after 1000 h of visible
International Nuclear Information System (INIS)
Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Császár, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.; Dénes, Nóra; Fazliev, Alexander Z.
2014-01-01
This paper is the fourth of a series of papers reporting critically evaluated rotational–vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This paper presents energy level and transition data for the following doubly and triply substituted isotopologues of water: D 2 16 O, D 2 17 O, and D 2 18 O. The MARVEL (Measured Active Rotational–Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0–14 016, 0–7969, and 0–9108 cm −1 for D 2 16 O, D 2 17 O, and D 2 18 O, respectively. For D 2 16 O, D 2 17 O, and D 2 18 O, 53 534, 600, and 12 167 lines are considered, respectively, from spectra recorded in absorption at room temperature and in emission at elevated temperatures. The number of validated energy levels is 12 269, 338, and 3351 for D 2 16 O, D 2 17 O, and D 2 18 O, respectively. The energy levels have been checked against the ones determined, with an average accuracy of about 0.03 cm −1 , from variational rovibrational computations employing exact kinetic energy operators and an accurate potential energy surface. Furthermore, the rovibrational labels of the energy levels have been validated by an analysis of the computed wavefunctions using the rigid-rotor decomposition (RRD) scheme. The extensive list of MARVEL lines and levels obtained is deposited in the Supplementary Material of this paper, in a distributed information system applied to water, W@DIS, and on the official MARVEL website, where they can easily be retrieved. - Highlights: • All published transitions are collected and analyzed. • A set of validated rovibrational transitions are presented. • Experimental energy levels for all three D 2 O isotopologues are determined. • Synthetic spectra are presented using these validated energy levels
Energy level alignment at the Si(1 1 1)/RCA–SiO2/copper(II) phthalocyanine ultra-thin film interface
International Nuclear Information System (INIS)
Krzywiecki, Maciej; Grządziel, Lucyna
2014-01-01
Graphical abstract: - Highlights: • The interface formation studies between CuPc and Si by photoemission methods. • Charge rearrangement detected at the inorganic/organic interface. • Existence of disordered/polarization layer at the initial stages of CuPc deposition. • Examined structures applicable for organic transistors development. - Abstract: The photoemission experimental techniques (i.e. ultraviolet photoelectron spectroscopy—UPS and X-ray photoelectron spectroscopy—XPS) were used to investigate the charge–rearrangement–related phenomena occuring at organic–inorganic semiconductor interface. Examined samples were copper phthalocyanine (CuPc) ultra-thin (up to 16 nm) layers deposited onto oxidized silicon Si(1 1 1) of n- and p-type of conductivity. The 1.3-nm-thick silicon oxide was prepared by means of RCA wet cleaning procedure. The analysis of the photoemission data (mainly UPS) suggested the existance of the polarization layer within first 3 nm of CuPc layer thickness. Basing on the UPS and XPS results the energy level diagrams of examined structures have been constructed. In present paper it is suggested that the existance of the polarization layer could be assigned to the disordered adsorption and continous molecular reorientation of the CuPc molecules during the interface formation process. In the terms of the lack of the charge transfer via substrate/organic overlayer interface and disordered adsorption the fluctuations of CuPc electronic parameters were detected. Moreover the ionization energy and the work function parameters of final CuPc layer were affected. The values were more consistent with those obtained for much thicker (over 500 nm) CuPc layers. Performed studies showed that contrary to CuPc layers deposited on native substrates (where the charge transfer via tunnelable oxide – determined as dipole effect – has been detected), the thicker RCA-prepared oxide seems to be non-tunnelable hence the possibility for Si(1 1 1
Quantal density functional theory
Sahni, Viraht
2016-01-01
This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of “classical” fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives o...
International Nuclear Information System (INIS)
Aydin, Alhun; Sisman, Altug
2016-01-01
By considering the quantum-mechanically minimum allowable energy interval, we exactly count number of states (NOS) and introduce discrete density of states (DOS) concept for a particle in a box for various dimensions. Expressions for bounded and unbounded continua are analytically recovered from discrete ones. Even though substantial fluctuations prevail in discrete DOS, they're almost completely flattened out after summation or integration operation. It's seen that relative errors of analytical expressions of bounded/unbounded continua rapidly decrease for high NOS values (weak confinement or high energy conditions), while the proposed analytical expressions based on Weyl's conjecture always preserve their lower error characteristic. - Highlights: • Discrete density of states considering minimum energy difference is proposed. • Analytical DOS and NOS formulas based on Weyl conjecture are given. • Discrete DOS and NOS functions are examined for various dimensions. • Relative errors of analytical formulas are much better than the conventional ones.
Energy Technology Data Exchange (ETDEWEB)
Aydin, Alhun; Sisman, Altug, E-mail: sismanal@itu.edu.tr
2016-03-22
By considering the quantum-mechanically minimum allowable energy interval, we exactly count number of states (NOS) and introduce discrete density of states (DOS) concept for a particle in a box for various dimensions. Expressions for bounded and unbounded continua are analytically recovered from discrete ones. Even though substantial fluctuations prevail in discrete DOS, they're almost completely flattened out after summation or integration operation. It's seen that relative errors of analytical expressions of bounded/unbounded continua rapidly decrease for high NOS values (weak confinement or high energy conditions), while the proposed analytical expressions based on Weyl's conjecture always preserve their lower error characteristic. - Highlights: • Discrete density of states considering minimum energy difference is proposed. • Analytical DOS and NOS formulas based on Weyl conjecture are given. • Discrete DOS and NOS functions are examined for various dimensions. • Relative errors of analytical formulas are much better than the conventional ones.
Density dependent effective interactions
International Nuclear Information System (INIS)
Dortmans, P.J.; Amos, K.
1994-01-01
An effective nucleon-nucleon interaction is defined by an optimal fit to select on-and half-off-of-the-energy shell t-and g-matrices determined by solutions of the Lippmann-Schwinger and Brueckner-Bethe-Goldstone equations with the Paris nucleon-nucleon interaction as input. As such, it is seen to better reproduce the interaction on which it is based than other commonly used density dependent effective interactions. The new (medium modified) effective interaction when folded with appropriate density matrices, has been used to define proton- 12 C and proton- 16 O optical potentials. With them elastic scattering data are well fit and the medium effects identifiable. 23 refs., 8 figs
Variable Kernel Density Estimation
Terrell, George R.; Scott, David W.
1992-01-01
We investigate some of the possibilities for improvement of univariate and multivariate kernel density estimates by varying the window over the domain of estimation, pointwise and globally. Two general approaches are to vary the window width by the point of estimation and by point of the sample observation. The first possibility is shown to be of little efficacy in one variable. In particular, nearest-neighbor estimators in all versions perform poorly in one and two dimensions, but begin to b...
Density oscillations within hadrons
International Nuclear Information System (INIS)
Arnold, R.; Barshay, S.
1976-01-01
In models of extended hadrons, in which small bits of matter carrying charge and effective mass exist confined within a medium, oscillations in the matter density may occur. A way of investigating this possibility experimentally in high-energy hadron-hadron elastic diffraction scattering is suggested, and the effect is illustrated by examining some existing data which might be relevant to the question [fr
Toward a Redefinition of Density
Rapoport, Amos
1975-01-01
This paper suggests that in addition to the recent work indicating that crowding is a subjective phenomenon, an adequate definition of density must also include a subjective component since density is a complex phenomenon in itself. Included is a discussion of both physical density and perceived density. (Author/MA)
Density measures and additive property
Kunisada, Ryoichi
2015-01-01
We deal with finitely additive measures defined on all subsets of natural numbers which extend the asymptotic density (density measures). We consider a class of density measures which are constructed from free ultrafilters on natural numbers and study a certain additivity property of such density measures.
International Nuclear Information System (INIS)
Boikova, N.A.; Kleshchevskaya, S.V.; Tyukhtyaev, Yu.N.; Faustov, R.N.
2004-01-01
A high-precision investigation of a logarithmic contribution in the particle-mass ratio to the fine shift of the S energy levels of hydrogen-like atoms from the exchange of a Coulomb photon is performed. It is shown that diagrams describing the exchange of one transverse photon and two Coulomb photons do not make such contributions
Semiconductor electrochemistry
National Research Council Canada - National Science Library
Memming, Rüdiger
2001-01-01
... . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Energy Levels in Solids . . . . . . . . . . . . . . . . . . . . . . . . . . . Optical Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Density...
Density Distribution Sunflower Plots
Directory of Open Access Journals (Sweden)
William D. Dupont
2003-01-01
Full Text Available Density distribution sunflower plots are used to display high-density bivariate data. They are useful for data where a conventional scatter plot is difficult to read due to overstriking of the plot symbol. The x-y plane is subdivided into a lattice of regular hexagonal bins of width w specified by the user. The user also specifies the values of l, d, and k that affect the plot as follows. Individual observations are plotted when there are less than l observations per bin as in a conventional scatter plot. Each bin with from l to d observations contains a light sunflower. Other bins contain a dark sunflower. In a light sunflower each petal represents one observation. In a dark sunflower, each petal represents k observations. (A dark sunflower with p petals represents between /2-pk k and /2+pk k observations. The user can control the sizes and colors of the sunflowers. By selecting appropriate colors and sizes for the light and dark sunflowers, plots can be obtained that give both the overall sense of the data density distribution as well as the number of data points in any given region. The use of this graphic is illustrated with data from the Framingham Heart Study. A documented Stata program, called sunflower, is available to draw these graphs. It can be downloaded from the Statistical Software Components archive at http://ideas.repec.org/c/boc/bocode/s430201.html . (Journal of Statistical Software 2003; 8 (3: 1-5. Posted at http://www.jstatsoft.org/index.php?vol=8 .
International Nuclear Information System (INIS)
Porter, M.R.; Foster, J.M.; Hodson, A.L.; Hazen, W.E.; Hendel, A.Z.; Bull, R.M.
1982-01-01
Measurements of the differential local density spectrum have been made using a 1 m 2 discharge chamber mounted in the Leeds discharge chamber array. The results are fitted to a power law of the form h(δ)dδ = kδsup(-ν)dδ, where ν=2.47+-0.04; k=0.21 s - 1 , for 7 m - 2 - 2 ; ν=2.90+-0.22; k=2.18 s - 1 , for δ > 200 m - 2 . Details of the measurement techniques are given with particular reference to the treatment of closely-spaced discharges. A comparison of these results with previous experiments using different techniques is made
Directory of Open Access Journals (Sweden)
Afshin Hosseini
Full Text Available The effects of dietary energy level and 2,4-thiazolidinedione (TZD injection on feed intake, body fatness, blood biomarkers and TZD concentrations, genes related to insulin sensitivity in adipose tissue (AT and skeletal muscle, and peroxisome proliferator-activated receptor gamma (PPARG protein in subcutaneous AT (SAT were evaluated in Holstein cows. Fourteen nonpregnant nonlactating cows were fed a control low-energy (CON, 1.30 Mcal/kg diet to meet 100% of estimated nutrient requirements for 3 weeks, after which half of the cows were assigned to a higher-energy diet (OVE, 1.60 Mcal/kg and half of the cows continued on CON for 6 weeks. All cows received an intravenous injection of TZD starting 2 weeks after initiation of dietary treatments and for an additional 2 weeks, which served as the washout period. Cows fed OVE had greater energy intake and body mass than CON, and TZD had no effect during the administration period. The OVE cows had greater TZD clearance rate than CON cows. The lower concentration of nonesterified fatty acids (NEFA and greater concentration of insulin in blood of OVE cows before TZD injection indicated positive energy balance and higher insulin sensitivity. Administration of TZD increased blood concentrations of glucose, insulin, and beta-hydroxybutyrate (BHBA at 2 to 4 weeks after diet initiation, while the concentration of NEFA and adiponectin (ADIPOQ remained unchanged during TZD. The TZD upregulated the mRNA expression of PPARG and its targets FASN and SREBF1 in SAT, but also SUMO1 and UBC9 which encode sumoylation proteins known to down-regulate PPARG expression and curtail adipogenesis. Therefore, a post-translational response to control PPARG gene expression in SAT could be a counteregulatory mechanism to restrain adipogenesis. The OVE cows had greater expression of the insulin sensitivity-related genes IRS1, SLC2A4, INSR, SCD, INSIG1, DGAT2, and ADIPOQ in SAT. In skeletal muscle, where PPARA and its targets
Hosseini, Afshin; Tariq, Muhammad Rizwan; Trindade da Rosa, Fernanda; Kesser, Julia; Iqbal, Zeeshan; Mora, Ofelia; Sauerwein, Helga; Drackley, James K; Trevisi, Erminio; Loor, Juan J
2015-01-01
The effects of dietary energy level and 2,4-thiazolidinedione (TZD) injection on feed intake, body fatness, blood biomarkers and TZD concentrations, genes related to insulin sensitivity in adipose tissue (AT) and skeletal muscle, and peroxisome proliferator-activated receptor gamma (PPARG) protein in subcutaneous AT (SAT) were evaluated in Holstein cows. Fourteen nonpregnant nonlactating cows were fed a control low-energy (CON, 1.30 Mcal/kg) diet to meet 100% of estimated nutrient requirements for 3 weeks, after which half of the cows were assigned to a higher-energy diet (OVE, 1.60 Mcal/kg) and half of the cows continued on CON for 6 weeks. All cows received an intravenous injection of TZD starting 2 weeks after initiation of dietary treatments and for an additional 2 weeks, which served as the washout period. Cows fed OVE had greater energy intake and body mass than CON, and TZD had no effect during the administration period. The OVE cows had greater TZD clearance rate than CON cows. The lower concentration of nonesterified fatty acids (NEFA) and greater concentration of insulin in blood of OVE cows before TZD injection indicated positive energy balance and higher insulin sensitivity. Administration of TZD increased blood concentrations of glucose, insulin, and beta-hydroxybutyrate (BHBA) at 2 to 4 weeks after diet initiation, while the concentration of NEFA and adiponectin (ADIPOQ) remained unchanged during TZD. The TZD upregulated the mRNA expression of PPARG and its targets FASN and SREBF1 in SAT, but also SUMO1 and UBC9 which encode sumoylation proteins known to down-regulate PPARG expression and curtail adipogenesis. Therefore, a post-translational response to control PPARG gene expression in SAT could be a counteregulatory mechanism to restrain adipogenesis. The OVE cows had greater expression of the insulin sensitivity-related genes IRS1, SLC2A4, INSR, SCD, INSIG1, DGAT2, and ADIPOQ in SAT. In skeletal muscle, where PPARA and its targets orchestrate
Nave, Gillian
I propose to measure wavelengths and energy levels for the spectra of Cr I, Mn I, and Mn III covering the wavelength range 80 nm to 5500 nm, and oscillator strengths for Fe II and Cr II in the region 120 nm to 2500 nm. I shall also produce intensity calibrated atlases and linelists of the iron-neon and chromium-neon hollow cathode lamps that can be compared with astrophysical spectra. The spectra will be obtained from archival data from spectrometers at NIST and Kitt Peak National Observatory and additional experimental observations as necessary from Fourier transform (FT) and grating spectrometers at NIST. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. The radiometric calibration of the spectra will be improved in order to reduce the uncertainty of measured oscillator strengths in the near UV region and extend the wavelength range of these measurements down to 120 nm. These will complement and support the measurements of lifetimes and branching fractions by J. E. Lawler in the near UV region. An intensive effort by NIST and Imperial College London that was partly funded by previous NASA awards has resulted in comprehensive analyses of the spectra of Fe II, Cr II and Cu II, with similar analyses of Mn II, Ni II, and Sc II underway. The species included in this proposal will complete the analysis of the first two ionization stages of the elements titanium through nickel using the same techniques, and add the spectrum of Mn III - one of the most important doubly-ionized elements. The elements Cr I and Mn I give large numbers of spectral lines in spectra of cool stars and important absorption lines in the interstellar medium. The spectrum of Mn III is important in chemically peculiar stars and can often only be studied in the UV region. Analyses of many stellar spectra depend on comprehensive analyses of iron-group elements and are hampered by incomplete spectroscopic data. As a result of many decades of work by the group at the
Measurement of loose powder density
International Nuclear Information System (INIS)
Akhtar, S.; Ali, A.; Haider, A.; Farooque, M.
2011-01-01
Powder metallurgy is a conventional technique for making engineering articles from powders. Main objective is to produce final products with the highest possible uniform density, which depends on the initial loose powder characteristics. Producing, handling, characterizing and compacting materials in loose powder form are part of the manufacturing processes. Density of loose metallic or ceramic powder is an important parameter for die design. Loose powder density is required for calculating the exact mass of powder to fill the die cavity for producing intended green density of the powder compact. To fulfill this requirement of powder metallurgical processing, a loose powder density meter as per ASTM standards is designed and fabricated for measurement of density. The density of free flowing metallic powders can be determined using Hall flow meter funnel and density cup of 25 cm/sup 3/ volume. Density of metal powders like cobalt, manganese, spherical bronze and pure iron is measured and results are obtained with 99.9% accuracy. (author)
Density functional theory study of Al-doped hematite
International Nuclear Information System (INIS)
Rivera, Richard; Stashans, Arvids; Piedra, Lorena; Pinto, Henry P
2012-01-01
Using first-principles density functional theory calculations within the generalized gradient approximation (GGA) as well as the GGA+U approach, we study Al-doped α-Fe 2 O 3 crystals. Structural, electronic, magnetic and optical properties due to impurity incorporation have been investigated and discussed in detail. Atomic displacements and Bader charges on atoms have been computed, showing that Al dopant converts the chemical bonding in its neighbourhood into a more ionic one. This work enhances our knowledge about how a crystalline lattice reacts in the presence of an Al impurity. It was found that Al incorporation produces some local changes in the band structure of the material without the creation of local energy levels within the band gap. The results provide evidence for changes in the magnetic moments in the vicinity of a defect, which means that α-Fe 2 O 3 doped with aluminum might not act as an antiferromagnetic substance.
International Nuclear Information System (INIS)
Ayala, A.L.
1996-01-01
In this talk we present our detailed study (theory and numbers) on the shadowing corrections to the gluon structure functions for nuclei. Starting from rather controversial information on the nucleon structure function which is originated by the recent HERA data, we develop the Glauber approach for the gluon density in a nucleus based on Mueller formula and estimate the value of the shadowing corrections in this case. Then we calculate the first corrections to the Glauber approach and show that these corrections are big. Based on this practical observation we suggest the new evolution equation which takes into account the shadowing corrections and solve it. We hope to convince you that the new evolution equation gives a good theoretical tool to treat the shadowing corrections for the gluons density in a nucleus and, therefore, it is able to provide the theoretically reliable initial conditions for the time evolution of the nucleus-nucleus cascade. The initial conditions should be fixed both theoretically and phenomenologically before to attack such complicated problems as the mixture of hard and soft processes in nucleus-nucleus interactions at high energy or the theoretically reliable approach to hadron or/and parton cascades for high energy nucleus-nucleus interaction. 35 refs., 24 figs., 1 tab
Anomalous evolution of Ar metastable density with electron density in high density Ar discharge
International Nuclear Information System (INIS)
Park, Min; Chang, Hong-Young; You, Shin-Jae; Kim, Jung-Hyung; Shin, Yong-Hyeon
2011-01-01
Recently, an anomalous evolution of argon metastable density with plasma discharge power (electron density) was reported [A. M. Daltrini, S. A. Moshkalev, T. J. Morgan, R. B. Piejak, and W. G. Graham, Appl. Phys. Lett. 92, 061504 (2008)]. Although the importance of the metastable atom and its density has been reported in a lot of literature, however, a basic physics behind the anomalous evolution of metastable density has not been clearly understood yet. In this study, we investigated a simple global model to elucidate the underlying physics of the anomalous evolution of argon metastable density with the electron density. On the basis of the proposed simple model, we reproduced the anomalous evolution of the metastable density and disclosed the detailed physics for the anomalous result. Drastic changes of dominant mechanisms for the population and depopulation processes of Ar metastable atoms with electron density, which take place even in relatively low electron density regime, is the clue to understand the result.
International Nuclear Information System (INIS)
Szasz, L.; Berrios-Pagan, I.; McGinn, G.
1975-01-01
A new Density-Functional formula is constructed for atoms. The kinetic energy of the electron is divided into two parts: the kinetic self-energy and the orthogonalization energy. Calculations were made for the total energies of neutral atoms, positive ions and for the He isoelectronic series. For neutral atoms the results match the Hartree-Fock energies within 1% for atoms with N 36 the results generally match the HF energies within 0.1%. For positive ions the results are fair; for the molecular applications a simplified model is developed in which the kinetic energy consists of the Weizsaecker term plus the Fermi energy reduced by a continuous function. (orig.) [de
International Nuclear Information System (INIS)
Freyss, M.
2015-01-01
This chapter gives an introduction to first-principles electronic structure calculations based on the density functional theory (DFT). Electronic structure calculations have a crucial importance in the multi-scale modelling scheme of materials: not only do they enable one to accurately determine physical and chemical properties of materials, they also provide data for the adjustment of parameters (or potentials) in higher-scale methods such as classical molecular dynamics, kinetic Monte Carlo, cluster dynamics, etc. Most of the properties of a solid depend on the behaviour of its electrons, and in order to model or predict them it is necessary to have an accurate method to compute the electronic structure. DFT is based on quantum theory and does not make use of any adjustable or empirical parameter: the only input data are the atomic number of the constituent atoms and some initial structural information. The complicated many-body problem of interacting electrons is replaced by an equivalent single electron problem, in which each electron is moving in an effective potential. DFT has been successfully applied to the determination of structural or dynamical properties (lattice structure, charge density, magnetisation, phonon spectra, etc.) of a wide variety of solids. Its efficiency was acknowledged by the attribution of the Nobel Prize in Chemistry in 1998 to one of its authors, Walter Kohn. A particular attention is given in this chapter to the ability of DFT to model the physical properties of nuclear materials such as actinide compounds. The specificities of the 5f electrons of actinides will be presented, i.e., their more or less high degree of localisation around the nuclei and correlations. The limitations of the DFT to treat the strong 5f correlations are one of the main issues for the DFT modelling of nuclear fuels. Various methods that exist to better treat strongly correlated materials will finally be presented. (author)
Hormonal Determinants of Mammographic Density
National Research Council Canada - National Science Library
Simpson, Jennifer K; Modugno, Francemary; Weissfeld, Joel L; Kuller, Lewis; Vogel, Victor; Constantino, Joseph P
2005-01-01
.... However, not all women on HRT will experience an increase in breast density. We propose a novel hypothesis to explain in part the individual variability in breast density seen among women on HRT...
Density limit in ASDEX discharges with peaked density profiles
International Nuclear Information System (INIS)
Staebler, A.; Niedermeyer, H.; Loch, R.; Mertens, V.; Mueller, E.R.; Soeldner, F.X.; Wagner, F.
1989-01-01
Results concerning the density limit in OH and NI-heated ASDEX discharges with the usually observed broad density profiles have been reported earlier: In ohmic discharges with high q a (q-cylindrical is used throughout this paper) the Murakami parameter (n e R/B t ) is a good scaling parameter. At the high densities edge cooling is observed causing the plasma to shrink until an m=2-instability terminates the discharge. When approaching q a =2 the density limit is no longer proportional to I p ; a minimum exists in n e,max (q a ) at q a ∼2.15. With NI-heating the density limit increases less than proportional to the heating power; the behaviour during the pre-disruptive phase is rather similar to the one of OH discharges. There are specific operating regimes on ASDEX leading to discharges with strongly peaked density profiles: the improved ohmic confinement regime, counter neutral injection, and multipellet injection. These regimes are characterized by enhanced energy and particle confinement. The operational limit in density for these discharges is, therefore, of great interest having furthermore in mind that high central densities are favourable in achieving high fusion yields. In addition, further insight into the mechanisms of the density limit observed in tokamaks may be obtained by comparing plasmas with rather different density profiles at their maximum attainable densities. 7 refs., 2 figs
International Nuclear Information System (INIS)
Zeng Jiaolong; Jin Fengtao; Zhao Gang; Yuan Jianmin
2003-01-01
Accurate atomic data, such as fine structure energy levels and oscillator strengths of different ionization stages of iron ions, are important for astrophysical and laboratory plasmas. However, some important existing oscillator strengths for ions with an open 3d shell found in the literature might not be accurate enough for practical applications. As an example, the present paper checks the convergence behaviour of the energy levels and oscillator strengths of Fe VIII by systematically increasing the 3p n -3d n (n = 1, 2, 3 and 6) core-valence electron correlations using the multiconfiguration Hartree-Fock method. The results show that one should at least include up to 3p 3 -3d 3 core-valence electron correlations to obtain converged results. Large differences are found between the present oscillator strengths and other theoretical results in the literature for some strong transitions
Li, Yanli; Zhou, Maoqing; Zheng, Tingcai; Yao, Bo; Peng, Yingquan
2013-12-01
Based on drift-diffusion theory, a numerical model of the doping of a single energy level trap in the emission layer of an organic light emitting device (OLED) was developed, and the effects of doping of this single energy level trap on the distribution of the charge density, the recombination rate density, and the electric field in single- and double-layer OLEDs were studied numerically. The results show that by doping the n-type (p-type) emission layer with single energy electron (hole) traps, the distribution of the recombination rate density can be tuned and shifted, which is useful for improvement of the device performance by reduced electrode quenching or for realization of desirable special functions, e.g., emission spectrum tuning in multiple dye-doped white OLEDs.
Energy Technology Data Exchange (ETDEWEB)
Li, Yanli; Zhou, Maoqing; Zheng, Tingcai; Yao, Bo [Institute of Microelectronics, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000 (China); Peng, Yingquan, E-mail: yqpeng@lzu.edu.cn [Institute of Microelectronics, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000 (China); Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China)
2013-12-28
Based on drift-diffusion theory, a numerical model of the doping of a single energy level trap in the emission layer of an organic light emitting device (OLED) was developed, and the effects of doping of this single energy level trap on the distribution of the charge density, the recombination rate density, and the electric field in single- and double-layer OLEDs were studied numerically. The results show that by doping the n-type (p-type) emission layer with single energy electron (hole) traps, the distribution of the recombination rate density can be tuned and shifted, which is useful for improvement of the device performance by reduced electrode quenching or for realization of desirable special functions, e.g., emission spectrum tuning in multiple dye-doped white OLEDs.
International Nuclear Information System (INIS)
Li, Yanli; Zhou, Maoqing; Zheng, Tingcai; Yao, Bo; Peng, Yingquan
2013-01-01
Based on drift-diffusion theory, a numerical model of the doping of a single energy level trap in the emission layer of an organic light emitting device (OLED) was developed, and the effects of doping of this single energy level trap on the distribution of the charge density, the recombination rate density, and the electric field in single- and double-layer OLEDs were studied numerically. The results show that by doping the n-type (p-type) emission layer with single energy electron (hole) traps, the distribution of the recombination rate density can be tuned and shifted, which is useful for improvement of the device performance by reduced electrode quenching or for realization of desirable special functions, e.g., emission spectrum tuning in multiple dye-doped white OLEDs
Smoothing densities under shape constraints
Davies, Paul Laurie; Meise, Monika
2009-01-01
In Davies and Kovac (2004) the taut string method was proposed for calculating a density which is consistent with the data and has the minimum number of peaks. The main disadvantage of the taut string density is that it is piecewise constant. In this paper a procedure is presented which gives a smoother density by minimizing the total variation of a derivative of the density subject to the number, positions and heights of the local extreme values obtained from the taut string density. 2...
High density hydrogen research
International Nuclear Information System (INIS)
Hawke, R.S.
1977-01-01
The interest in the properties of very dense hydrogen is prompted by its abundance in Saturn and Jupiter and its importance in laser fusion studies. Furthermore, it has been proposed that the metallic form of hydrogen may be a superconductor at relatively high temperatures and/or exist in a metastable phase at ambient pressure. For ten years or more, laboratories have been developing the techniques to study hydrogen in the megabar region (1 megabar = 100 GPa). Three major approaches to study dense hydrogen experimentally have been used, static presses, shockwave compression, and magnetic compression. Static tchniques have crossed the megabar threshold in stiff materials but have not yet been convincingly successful in very compressible hydrogen. Single and double shockwave techniques have improved the precision of the pressure, volume, temperature Equation of State (EOS) of molecular hydrogen (deuterium) up to near 1 Mbar. Multiple shockwave and magnetic techniques have compressed hydrogen to several megabars and densities in the range of the metallic phase. The net result is that hydrogen becomes conducting at a pressure between 2 and 4 megabars. Hence, the possibility of making a significant amount of hydrogen into a metal in a static press remains a formidable challenge. The success of such experiments will hopefully answer the questions about hydrogen's metallic vs. conducting molecular phase, superconductivity, and metastability. 4 figures, 15 references
Hinrichs, S.; Patten, N. L.; Allcock, R. J. N.; Saunders, S. M.; Strickland, D.; Waite, A. M.
2013-09-01
Seasonal variations in coral health indices reflecting autotrophic activity (chlorophyll a and zooxanthellae density), metabolic rates (RNA/DNA ratio and protein) and energy storage (ratio of storage: structural lipids or lipid ratios) were examined for two dominant Acropora species [ Acropora digitifera ( AD) and Acropora spicifera ( AS)] at Ningaloo Reef (north-western Australia). Such detailed investigation of metabolic processes is important background, with regard to understanding the vulnerability of corals to environmental change. Health indices in AD and AS were measured before and after spawning in austral autumn and winter 2010, and austral summer 2011 at six stations. Health indices showed seasonal and species-specific differences but negligible spatial differences across a reef section. For AD, autotrophic indices were negatively correlated with lipid ratios and metabolic indices. Metabolic indices were significantly higher in AS than AD. No correlation was observed between RNA/DNA ratios and lipid ratios with any autotrophic indices for AS. Lipid ratios were stable throughout the year for AS while they changed significantly for AD. For both species, indices of metabolic activity were highest during autumn, while autotrophic indices were highest in winter and summer. Results suggest that the impact of the broadcast spawning event on coral health indices at Ningaloo Reef occurred only as a backdrop to massive seasonal changes in coral physiology. The La Niña summer pattern resulted in high autotrophic indices and low metabolic indices and energy stores. Our results imply different metabolic processes in A. digitifera and A. spicifera as well as a strong impact of extreme events on coral physiology.
Tienken, Reka; Kersten, Susanne; Frahm, Jana; Hüther, Liane; Meyer, Ulrich; Huber, Korinna; Rehage, Jürgen; Dänicke, Sven
2015-01-01
Simple Summary Several biological changes occur during the transition from late pregnancy to early lactation which is associated with a high susceptibility of health disorders. Nicotinic acid, as feed additive, is suggested to balance catabolic metabolism of periparturient dairy cows by attenuating lipolysis and impact production performance. This study provides information of the biological changes occurring around parturition with special emphasis on differences between primiparous and multiparous cows. Present results showed that energy-dense feeding prepartum did not result in metabolic imbalances postpartum in dairy cows which were similar in body condition score. Nicotinic acid supplementation did not reveal any effect. Abstract The periparturient period is critical according to health, productivity and profitability. As this period is fundamental for the success of the lactation period, the interest in improving periparturient health by dietary supplements increased in recent years. The present study investigated the effects of feeding nicotinic acid (NA) combined with varying dietary energy densities on immunological, hematological and biochemical parameters of periparturient cows differing in parity. Thirty-six multiparous and 20 primiparous dairy cows were enrolled in the study 42 days before expected parturition date until 100 days postpartum with the half of the cows being supplemented with 24 g of NA/d. After parturition a diet with 30% concentrate was fed to all cows which was followed by different concentrate escalation strategies. Dietary NA supplementation was ceased on day 24 postpartum. Dietary NA increased (P = 0.010) serum nicotinamide concentrations (mean of 3.35 ± 1.65 µg/mL), whereas NA could not be detected. Present data emphasize that periparturient cows are faced with major physiological challenges and that both parity-groups have different prerequisites to adapt to those changes irrespective of NA supplementation. The overfeeding of
Density limit experiments on FTU
International Nuclear Information System (INIS)
Pucella, G.; Tudisco, O.; Apicella, M.L.; Apruzzese, G.; Artaserse, G.; Belli, F.; Boncagni, L.; Botrugno, A.; Buratti, P.; Calabrò, G.; Castaldo, C.; Cianfarani, C.; Cocilovo, V.; Dimatteo, L.; Esposito, B.; Frigione, D.; Gabellieri, L.; Giovannozzi, E.; Bin, W.; Granucci, G.
2013-01-01
One of the main problems in tokamak fusion devices concerns the capability to operate at a high plasma density, which is observed to be limited by the appearance of catastrophic events causing loss of plasma confinement. The commonly used empirical scaling law for the density limit is the Greenwald limit, predicting that the maximum achievable line-averaged density along a central chord depends only on the average plasma current density. However, the Greenwald density limit has been exceeded in tokamak experiments in the case of peaked density profiles, indicating that the edge density is the real parameter responsible for the density limit. Recently, it has been shown on the Frascati Tokamak Upgrade (FTU) that the Greenwald density limit is exceeded in gas-fuelled discharges with a high value of the edge safety factor. In order to understand this behaviour, dedicated density limit experiments were performed on FTU, in which the high density domain was explored in a wide range of values of plasma current (I p = 500–900 kA) and toroidal magnetic field (B T = 4–8 T). These experiments confirm the edge nature of the density limit, as a Greenwald-like scaling holds for the maximum achievable line-averaged density along a peripheral chord passing at r/a ≃ 4/5. On the other hand, the maximum achievable line-averaged density along a central chord does not depend on the average plasma current density and essentially depends on the toroidal magnetic field only. This behaviour is explained in terms of density profile peaking in the high density domain, with a peaking factor at the disruption depending on the edge safety factor. The possibility that the MARFE (multifaced asymmetric radiation from the edge) phenomenon is the cause of the peaking has been considered, with the MARFE believed to form a channel for the penetration of the neutral particles into deeper layers of the plasma. Finally, the magnetohydrodynamic (MHD) analysis has shown that also the central line
Resolvability of regional density structure
Plonka, A.; Fichtner, A.
2016-12-01
Lateral density variations are the source of mass transport in the Earth at all scales, acting as drivers of convectivemotion. However, the density structure of the Earth remains largely unknown since classic seismic observables and gravityprovide only weak constraints with strong trade-offs. Current density models are therefore often based on velocity scaling,making strong assumptions on the origin of structural heterogeneities, which may not necessarily be correct. Our goal is to assessif 3D density structure may be resolvable with emerging full-waveform inversion techniques. We have previously quantified the impact of regional-scale crustal density structure on seismic waveforms with the conclusion that reasonably sized density variations within thecrust can leave a strong imprint on both travel times and amplitudes, and, while this can produce significant biases in velocity and Q estimates, the seismic waveform inversion for density may become feasible. In this study we performprincipal component analyses of sensitivity kernels for P velocity, S velocity, and density. This is intended to establish theextent to which these kernels are linearly independent, i.e. the extent to which the different parameters may be constrainedindependently. Since the density imprint we observe is not exclusively linked to travel times and amplitudes of specific phases,we consider waveform differences between complete seismograms. We test the method using a known smooth model of the crust and seismograms with clear Love and Rayleigh waves, showing that - as expected - the first principal kernel maximizes sensitivity to SH and SV velocity structure, respectively, and that the leakage between S velocity, P velocity and density parameter spaces is minimal in the chosen setup. Next, we apply the method to data from 81 events around the Iberian Penninsula, registered in total by 492 stations. The objective is to find a principal kernel which would maximize the sensitivity to density
Energy Technology Data Exchange (ETDEWEB)
Oprea, Corneliu I.; Lungu, Jeanina; Georgescu, Adrian; Moscalu, Florin; Oprea, Camelia; Girtu, Mihai A. [Department of Physics, Ovidius University of Constanta (Romania); Dumbrava, Anca [Department of Chemistry, Ovidius University of Constanta (Romania); Enache, Irina [Department of Chemistry, Ovidius University of Constanta (Romania); Department of Mathematics and Sciences, Constanta Maritime University (Romania)
2011-10-15
We report results of combined experimental and theoretical studies of dye-sensitized solar cells (DSSCs) using 5-(4-sulfophenylazo)salicylic acid disodium salt, known as Mordant Yellow 10 (MY-10), as TiO{sub 2} sensitizer. We focus on a single dye but vary the solvent and the pH of the solution as well as the photoelectrode preparation conditions to determine the conditions for best photovoltaic conversion efficiency. We found experimentally that the efficiency, measured under standard air mass 1.5 global (AM 1.5G) conditions, was higher in solutions of ethanol than of water, but still small (up to 0.174%), although the fill factor (FF) was large (up to 0.73). Of the dyes in ethanol, MY-10 in alkaline solution showed the best matching of the solar spectrum but displayed the lowest efficiency. Density functional theory (DFT) calculations provided the optimized geometry, electronic structure, and electronic spectrum of the dye in fully protonated as well as partially and totally deprotonated forms, in solution. The calculated optical spectra are consistent with the experimental data, with strong absorption in the visible range only for the alkaline dye solution. The low device efficiency is very likely related to the weak optical absorption in the visible range. The much higher photovoltaic conversion efficiency of the DSSCs fabricated using acid or roughly neutral pH solutions, corresponding to the protonated and partially deprotonated forms of MY-10, respectively, is likely caused by the better alignment of the ground state of the dye with the redox level of the electrolyte. The decrease with pH of the dye solution of the short-circuit current was linked to a weaker charge injection from the excited state of the dye to the conduction band of the oxide, which is correlated with the shifting of the excited state of the dye deeper into the CB edge of the semiconductor. The variation of the open-circuit voltage with the pH of the solution was linked to the adjustment
Super liquid density target designs
International Nuclear Information System (INIS)
Pan, Y.L.; Bailey, D.S.
1976-01-01
The success of laser fusion depends on obtaining near isentropic compression of fuel to very high densities and igniting this fuel. To date, the results of laser fusion experiments have been based mainly on the exploding pusher implosion of fusion capsules consisting of thin glass microballoons (wall thickness of less than 1 micron) filled with low density DT gas (initial density of a few mg/cc). Maximum DT densities of a few tenths of g/cc and temperatures of a few keV have been achieved in these experiments. We will discuss the results of LASNEX target design calculations for targets which: (a) can compress fuel to much higher densities using the capabilities of existing Nd-glass systems at LLL; (b) allow experimental measurement of the peak fuel density achieved
Kascak, Daniel J.
2004-01-01
With the growing concerns of global warming, the need for pollution-free vehicles is ever increasing. Pollution-free flight is one of NASA's goals for the 21" Century. , One method of approaching that goal is hydrogen-fueled aircraft that use fuel cells or turbo- generators to develop electric power that can drive electric motors that turn the aircraft's propulsive fans or propellers. Hydrogen fuel would likely be carried as a liquid, stored in tanks at its boiling point of 20.5 K (-422.5 F). Conventional electric motors, however, are far too heavy (for a given horsepower) to use on aircraft. Fortunately the liquid hydrogen fuel can provide essentially free refrigeration that can be used to cool the windings of motors before the hydrogen is used for fuel. Either High Temperature Superconductors (HTS) or high purity metals such as copper or aluminum may be used in the motor windings. Superconductors have essentially zero electrical resistance to steady current. The electrical resistance of high purity aluminum or copper near liquid hydrogen temperature can be l/lOO* or less of the room temperature resistance. These conductors could provide higher motor efficiency than normal room-temperature motors achieve. But much more importantly, these conductors can carry ten to a hundred times more current than copper conductors do in normal motors operating at room temperature. This is a consequence of the low electrical resistance and of good heat transfer coefficients in boiling LH2. Thus the conductors can produce higher magnetic field strengths and consequently higher motor torque and power. Designs, analysis and actual cryogenic motor tests show that such cryogenic motors could produce three or more times as much power per unit weight as turbine engines can, whereas conventional motors produce only 1/5 as much power per weight as turbine engines. This summer work has been done with Litz wire to maximize the current density. The current is limited by the amount of heat it
Density functionals from deep learning
McMahon, Jeffrey M.
2016-01-01
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep learning is developed to approximate this functional. Deep learning allows computational models that are capable of naturally discovering intricate structure in large and/or high-dimensional data sets, with multiple levels of abstraction. As no assumptions are ...
Transition densities with electron scattering
International Nuclear Information System (INIS)
Heisenberg, J.
1985-01-01
This paper reviews the ground state and transition charge densities in nuclei via electron scattering. Using electrons as a spectroscopic tool in nuclear physics, these transition densities can be determined with high precision, also in the nuclear interior. These densities generally ask for a microscopic interpretation in terms of contributions from individual nucleons. The results for single particle transitions confirm the picture of particle-phonon coupling. (Auth.)
Sets with Prescribed Arithmetic Densities
Czech Academy of Sciences Publication Activity Database
Luca, F.; Pomerance, C.; Porubský, Štefan
2008-01-01
Roč. 3, č. 2 (2008), s. 67-80 ISSN 1336-913X R&D Projects: GA ČR GA201/07/0191 Institutional research plan: CEZ:AV0Z10300504 Keywords : generalized arithmetic density * generalized asymptotic density * generalized logarithmic density * arithmetical semigroup * weighted arithmetic mean * ratio set * R-dense set * Axiom A * delta-regularly varying function Subject RIV: BA - General Mathematics
International Nuclear Information System (INIS)
Xu Chang; Li Baoan; Chen Liewen
2010-01-01
Based on the Hugenholtz-Van Hove theorem, it is shown that both the symmetry energy E sym (ρ) and its density slope L(ρ) at normal density ρ 0 are completely determined by the nucleon global optical potentials. The latter can be extracted directly from nucleon-nucleus scatterings, (p,n) charge-exchange reactions, and single-particle energy levels of bound states. Averaging all phenomenological isovector nucleon potentials constrained by world data available in the literature since 1969, the best estimates of E sym (ρ 0 )=31.3 MeV and L(ρ 0 )=52.7 MeV are simultaneously obtained. Moreover, the corresponding neutron-proton effective mass splitting in neutron-rich matter of isospin asymmetry δ is estimated to be (m n * -m p * )/m=0.32δ.
Histogram Estimators of Bivariate Densities
National Research Council Canada - National Science Library
Husemann, Joyce A
1986-01-01
One-dimensional fixed-interval histogram estimators of univariate probability density functions are less efficient than the analogous variable-interval estimators which are constructed from intervals...
Importing low-density ideas to high-density revitalisation
DEFF Research Database (Denmark)
Arnholtz, Jens; Ibsen, Christian Lyhne; Ibsen, Flemming
2016-01-01
Why did union officials from a high-union-density country like Denmark choose to import an organising strategy from low-density countries such as the US and the UK? Drawing on in-depth interviews with key union officials and internal documents, the authors of this article argue two key points. Fi...
Mann, S; Leal Yepes, F A; Overton, T R; Lock, A L; Lamb, S V; Wakshlag, J J; Nydam, D V
2016-02-01
The objective was to investigate the effect of different dry cow feeding strategies on the volume, concentration of IgG and insulin, as well as fatty acid composition of colostrum. Our hypothesis was that different dry period diets formulated to resemble current feeding practices on commercial dairy farms and differing in plane of energy would have an effect on IgG and insulin concentration, as well as composition of fatty acid of colostrum. Animals (n=84) entering parity 2 or greater were dried off 57 d before expected parturition and fed either a diet formulated to meet, but not greatly exceed energy requirements throughout the dry period (CON), or a higher energy density diet, supplying approximately 150% of energy requirements (HI). A third group received the same diet as group CON from dry-off until 29 d before expected parturition. After this time point, from 28 d before expected parturition until calving, they received a diet formulated to supply approximately 125% of energy requirements (I-med). Concentration of IgG and insulin in colostrum were measured by radial immunodiffusion and RIA, respectively. Composition of fatty acids was determined by gas-liquid chromatography. The IgG concentration was highest in colostrum of cows in group CON [96.1 (95% CI: 83.3-108.9) g/L] and lowest in group HI [72.4 (60.3-84.5) g/L], whereas insulin concentration was highest in group HI [1,105 (960-1,250) μU/mL] and lowest in group CON [853 (700-1,007) μU/mL]. Colostrum yield did not differ between treatments and was 5.9 (4.5-7.4), 7.0 (5.6-8.4), and 7.3 (5.9-8.7) kg in groups CON, I-med, and HI, respectively. A multivariable linear regression model showed the effect of dietary treatment group on IgG concentration was independent of the effect of dry matter. Cows in groups CON, I-med, and HI had an average colostral fat percentage of 5.0 (4.1-5.9), 5.6 (4.8-6.4), and 6.0 (5.2-6.8) and an average fat yield of 289 (196-380), 406 (318-495), and 384 (295-473) g, respectively
Mammography density estimation with automated volumetic breast density measurement
International Nuclear Information System (INIS)
Ko, Su Yeon; Kim, Eun Kyung; Kim, Min Jung; Moon, Hee Jung
2014-01-01
To compare automated volumetric breast density measurement (VBDM) with radiologists' evaluations based on the Breast Imaging Reporting and Data System (BI-RADS), and to identify the factors associated with technical failure of VBDM. In this study, 1129 women aged 19-82 years who underwent mammography from December 2011 to January 2012 were included. Breast density evaluations by radiologists based on BI-RADS and by VBDM (Volpara Version 1.5.1) were compared. The agreement in interpreting breast density between radiologists and VBDM was determined based on four density grades (D1, D2, D3, and D4) and a binary classification of fatty (D1-2) vs. dense (D3-4) breast using kappa statistics. The association between technical failure of VBDM and patient age, total breast volume, fibroglandular tissue volume, history of partial mastectomy, the frequency of mass > 3 cm, and breast density was analyzed. The agreement between breast density evaluations by radiologists and VBDM was fair (k value = 0.26) when the four density grades (D1/D2/D3/D4) were used and moderate (k value = 0.47) for the binary classification (D1-2/D3-4). Twenty-seven women (2.4%) showed failure of VBDM. Small total breast volume, history of partial mastectomy, and high breast density were significantly associated with technical failure of VBDM (p 0.001 to 0.015). There is fair or moderate agreement in breast density evaluation between radiologists and VBDM. Technical failure of VBDM may be related to small total breast volume, a history of partial mastectomy, and high breast density.
Directory of Open Access Journals (Sweden)
Ivan Luiz Brondani
2004-08-01
Full Text Available Objetivou-se avaliar as características quantitativas da carcaça de bovinos machos não castrados, terminados em confinamento e abatidos aos 13-14 meses de idade. Foram utilizados 16 bezerros com nove meses de idade e peso médio inicial de 220 kg (oito Aberdeen Angus - AA e oito Hereford - HE, submetidos a dois níveis de energia (3,07 e 3,18 Mcal/kg de MS. O desenho experimental foi inteiramente casualizado, em arranjo fatorial 2 x 2 (duas raças e dois níveis de energia. O volumoso utilizado foi a silagem de milho, com 36% de grãos na matéria seca (MS. O concentrado nos tratamentos de menor nível de energia participou com 12% e naqueles de maior nível, com 32% da MS da dieta. Os animais foram abatidos quando, por estimativa, as carcaças apresentaram, na média, um mínimo de 190 kg. Os animais AA apresentaram maior rendimento de carcaça quente (54,95 contra 53,75%, maior comprimento de perna (64,12 contra 62,12 cm e maior área do músculo Longissimus/100 kg de carcaça (29,31 contra 27,41 cm². Os animais que receberam o maior nível de energia na dieta apresentaram maior comprimento de perna (71,75 contra 64,50 cm e melhor conformação da carcaça (11,25 contra 10,12 pontos. Observou-se interação significativa entre raça e nível de energia para a espessura de gordura subcutânea, sendo a maior espessura verificada nas carcaças dos animais HE, que receberam o menor nível de energia.The objective of the experiment was to evaluate the carcass quantitative characteristics of feedlot finished steers, slaughtered at 13-14 months of age. Sixteen calves with nine months of age and average initial weight of 220 kg, being eight Aberdeen Angus - AA and eight Hereford - HE, were used. The animals were submitted to two levels of energy, 3.07 or 3.18 Mcal/kg of DM. The complete randomized experimental design was used, with a 2 x 2 factorial arrangement (two breeds vs. two energy levels. Corn silage with 36% of grain in DM was used as
Directory of Open Access Journals (Sweden)
Fernando Guilherme Perazzo Costa
2009-05-01
Full Text Available This study was carried out to evaluate the energy levels in the diet to obtain better performance rates and quality of eggs from laying hens in the second production cycle. One hundred and eighty Bovans Goldline laying hens with 62 weeks of age were used during four 28-day periods. A completely randomized experimental design was used with four metabolizable energy levels (2,650, 2,725, 2,800, 2,875 and 2,950 kcal/kg, each with six replicates of six birds. The energy level of diet did not affect the weight of the egg, yolk, albumen and eggshell, the percentages of yolk, albumen and eggshell, yolk color and egg specific gravity. Feed intake, egg production, egg mass and feed conversion per egg mass and per dozen eggs increased significantly with increasing levels of metabolizable energy. Feed intake decreased linearly as the energy level in the diet increased. The metabolizable energy levels showed a quadratic effect on egg production, egg mass and feed conversion per egg mass and per dozen eggs. The metabolizable energy level of 2,830 kcal/kg was the most appropriate to promote better performance and quality of eggs from laying hens in the second production cycle.Este estudo foi realizado com o objetivo de avaliar níveis energéticos na dieta para obtenção de melhores índices de desempenho e qualidade de ovos de poedeiras de segundo ciclo de produção. Utilizaram-se 180 poedeiras com 62 semanas de idade, da linhagem Bovans Goldline, durante quatro períodos de 28 dias. O delineamento utilizado foi o inteiramente casualizado, com quatro níveis de energia metabolizável (2.650, 2.725, 2.800, 2.875 e 2.950 kcal/kg de ração, cada um com seis repetições de seis aves. O nível energético da dieta não influenciou os pesos do ovo, da gema, do albúmen e da casca, as porcentagens de gema, albúmen e casca, a coloração da gema e a gravidade específica do ovo. O consumo de ração, a produção de ovos, a massa do ovo e a conversão por massa
The Density of Sustainable Settlements
DEFF Research Database (Denmark)
Lauring, Michael; Silva, Victor; Jensen, Ole B.
2010-01-01
This paper is the initial result of a cross-disciplinary attempt to encircle an answer to the question of optimal densities of sustainable settlements. Urban density is an important component in the framework of sustainable development and influences not only the character and design of cities...
International Nuclear Information System (INIS)
Mishra, V.; Boukharouba, N.; Brient, C.E.; Grimes, S.M.; Pedroni, R.S.
1994-01-01
Levels in 57 Co have been studied in the region of resolved levels (E 57 Fe(p,n) 57 Co neutron spectrum with resolution ΔE∼5 keV. Seventeen previously unknown levels are located. Level density parameters in the continuum region are deduced from thick target measurements of the same reaction and additional level density information is deduced from Ericson fluctuation studies of the reaction 56 Fe(p,n) 56 Co. A set of level density parameters is found which describes the level density of 57 Co at energies up to 14 MeV. Efforts to obtain level density information from the 56 Fe(d,n) 57 Co reaction were unsuccessful, but estimates of the fraction of the deuteron absorption cross section corresponding to compound nucleus formation are obtained
International Nuclear Information System (INIS)
Balonis, M.; Glasser, F.P.
2009-01-01
The densities of principal crystalline phases occurring in Portland cement are critically assessed and tabulated, in some cases with addition of new data. A reliable and self-consistent density set for crystalline phases was obtained by calculating densities from crystallographic data and unit cell contents. Independent laboratory work was undertaken to synthesize major AFm and AFt cement phases, determine their unit cell parameters and compare the results with those recorded in the literature. Parameters were refined from powder diffraction patterns using CELREF 2 software. A density value is presented for each phase, showing literature sources, in some cases describing limitations on the data, and the weighting attached to numerical values where an averaging process was used for accepted data. A brief discussion is made of the consequences of the packing of water to density changes in AFm and AFt structures.
Quantum phase transitions and collective enhancement of level density in odd–A and odd–odd nuclei
Energy Technology Data Exchange (ETDEWEB)
Karampagia, S., E-mail: karampag@nscl.msu.edu [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Renzaglia, A. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States); Zelevinsky, V. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States)
2017-06-15
The nuclear shell model assumes an effective mean-field plus interaction Hamiltonian in a specific configuration space. We want to understand how various interaction matrix elements affect the observables, the collectivity in nuclei and the nuclear level density for odd–A and odd–odd nuclei. Using the sd and pf shells, we vary specific groups of matrix elements and study the evolution of energy levels, transition rates and the level density. In all cases studied, a transition between a “normal” and a collective phase is induced, accompanied by an enhancement of the level density in the collective phase. In distinction to neighboring even–even nuclei, the enhancement of the level density is observed already at the transition point. The collective phase is reached when the single-particle transfer matrix elements are dominant in the shell model Hamiltonian, providing a sign of their fundamental role.
Microscopic calculation of level densities: the shell model Monte Carlo approach
International Nuclear Information System (INIS)
Alhassid, Yoram
2012-01-01
The shell model Monte Carlo (SMMC) approach provides a powerful technique for the microscopic calculation of level densities in model spaces that are many orders of magnitude larger than those that can be treated by conventional methods. We discuss a number of developments: (i) Spin distribution. We used a spin projection method to calculate the exact spin distribution of energy levels as a function of excitation energy. In even-even nuclei we find an odd-even staggering effect (in spin). Our results were confirmed in recent analysis of experimental data. (ii) Heavy nuclei. The SMMC approach was extended to heavy nuclei. We have studied the crossover between vibrational and rotational collectivity in families of samarium and neodymium isotopes in model spaces of dimension approx. 10 29 . We find good agreement with experimental results for both state densities and 2 > (where J is the total spin). (iii) Collective enhancement factors. We have calculated microscopically the vibrational and rotational enhancement factors of level densities versus excitation energy. We find that the decay of these enhancement factors in heavy nuclei is correlated with the pairing and shape phase transitions. (iv) Odd-even and odd-odd nuclei. The projection on an odd number of particles leads to a sign problem in SMMC. We discuss a novel method to calculate state densities in odd-even and odd-odd nuclei despite the sign problem. (v) State densities versus level densities. The SMMC approach has been used extensively to calculate state densities. However, experiments often measure level densities (where levels are counted without including their spin degeneracies.) A spin projection method enables us to also calculate level densities in SMMC. We have calculated the SMMC level density of 162 Dy and found it to agree well with experiments
Obesity and Regional Immigrant Density.
Emerson, Scott D; Carbert, Nicole S
2017-11-24
Canada has an increasingly large immigrant population. Areas of higher immigrant density, may relate to immigrants' health through reduced acculturation to Western foods, greater access to cultural foods, and/or promotion of salubrious values/practices. It is unclear, however, whether an association exists between Canada-wide regional immigrant density and obesity among immigrants. Thus, we examined whether regional immigrant density was related to obesity, among immigrants. Adult immigrant respondents (n = 15,595) to a national population-level health survey were merged with region-level immigrant density data. Multi-level logistic regression was used to model the odds of obesity associated with increased immigrant density. The prevalence of obesity among the analytic sample was 16%. Increasing regional immigrant density was associated with lower odds of obesity among minority immigrants and long-term white immigrants. Immigrant density at the region-level in Canada may be an important contextual factor to consider when examining obesity among immigrants.
Density dependent hadron field theory
International Nuclear Information System (INIS)
Fuchs, C.; Lenske, H.; Wolter, H.H.
1995-01-01
A fully covariant approach to a density dependent hadron field theory is presented. The relation between in-medium NN interactions and field-theoretical meson-nucleon vertices is discussed. The medium dependence of nuclear interactions is described by a functional dependence of the meson-nucleon vertices on the baryon field operators. As a consequence, the Euler-Lagrange equations lead to baryon rearrangement self-energies which are not obtained when only a parametric dependence of the vertices on the density is assumed. It is shown that the approach is energy-momentum conserving and thermodynamically consistent. Solutions of the field equations are studied in the mean-field approximation. Descriptions of the medium dependence in terms of the baryon scalar and vector density are investigated. Applications to infinite nuclear matter and finite nuclei are discussed. Density dependent coupling constants obtained from Dirac-Brueckner calculations with the Bonn NN potentials are used. Results from Hartree calculations for energy spectra, binding energies, and charge density distributions of 16 O, 40,48 Ca, and 208 Pb are presented. Comparisons to data strongly support the importance of rearrangement in a relativistic density dependent field theory. Most striking is the simultaneous improvement of charge radii, charge densities, and binding energies. The results indicate the appearance of a new ''Coester line'' in the nuclear matter equation of state
Measuring single-cell density.
Grover, William H; Bryan, Andrea K; Diez-Silva, Monica; Suresh, Subra; Higgins, John M; Manalis, Scott R
2011-07-05
We have used a microfluidic mass sensor to measure the density of single living cells. By weighing each cell in two fluids of different densities, our technique measures the single-cell mass, volume, and density of approximately 500 cells per hour with a density precision of 0.001 g mL(-1). We observe that the intrinsic cell-to-cell variation in density is nearly 100-fold smaller than the mass or volume variation. As a result, we can measure changes in cell density indicative of cellular processes that would be otherwise undetectable by mass or volume measurements. Here, we demonstrate this with four examples: identifying Plasmodium falciparum malaria-infected erythrocytes in a culture, distinguishing transfused blood cells from a patient's own blood, identifying irreversibly sickled cells in a sickle cell patient, and identifying leukemia cells in the early stages of responding to a drug treatment. These demonstrations suggest that the ability to measure single-cell density will provide valuable insights into cell state for a wide range of biological processes.
Attractor comparisons based on density
International Nuclear Information System (INIS)
Carroll, T. L.
2015-01-01
Recognizing a chaotic attractor can be seen as a problem in pattern recognition. Some feature vector must be extracted from the attractor and used to compare to other attractors. The field of machine learning has many methods for extracting feature vectors, including clustering methods, decision trees, support vector machines, and many others. In this work, feature vectors are created by representing the attractor as a density in phase space and creating polynomials based on this density. Density is useful in itself because it is a one dimensional function of phase space position, but representing an attractor as a density is also a way to reduce the size of a large data set before analyzing it with graph theory methods, which can be computationally intensive. The density computation in this paper is also fast to execute. In this paper, as a demonstration of the usefulness of density, the density is used directly to construct phase space polynomials for comparing attractors. Comparisons between attractors could be useful for tracking changes in an experiment when the underlying equations are too complicated for vector field modeling
Energy vs. density on paths toward more exact density functionals.
Kepp, Kasper P
2018-03-14
Recently, the progression toward more exact density functional theory has been questioned, implying a need for more formal ways to systematically measure progress, i.e. a "path". Here I use the Hohenberg-Kohn theorems and the definition of normality by Burke et al. to define a path toward exactness and "straying" from the "path" by separating errors in ρ and E[ρ]. A consistent path toward exactness involves minimizing both errors. Second, a suitably diverse test set of trial densities ρ' can be used to estimate the significance of errors in ρ without knowing the exact densities which are often inaccessible. To illustrate this, the systems previously studied by Medvedev et al., the first ionization energies of atoms with Z = 1 to 10, the ionization energy of water, and the bond dissociation energies of five diatomic molecules were investigated using CCSD(T)/aug-cc-pV5Z as benchmark at chemical accuracy. Four functionals of distinct designs was used: B3LYP, PBE, M06, and S-VWN. For atomic cations regardless of charge and compactness up to Z = 10, the energy effects of the different ρ are energy-wise insignificant. An interesting oscillating behavior in the density sensitivity is observed vs. Z, explained by orbital occupation effects. Finally, it is shown that even large "normal" problems such as the Co-C bond energy of cobalamins can use simpler (e.g. PBE) trial densities to drastically speed up computation by loss of a few kJ mol -1 in accuracy. The proposed method of using a test set of trial densities to estimate the sensitivity and significance of density errors of functionals may be useful for testing and designing new balanced functionals with more systematic improvement of densities and energies.
International Nuclear Information System (INIS)
Kamada, Yutaka; Hosogane, Nobuyuki; Hirayama, Toshio; Tsunematsu, Toshihide
1990-05-01
This report studies mainly the density limit for a series of gas- and pellet-fuelled limiter discharges in JT-60. With the pellet injection into high-current/low-q (q(a)=2.3∼2.5) discharges, the Murakami factor reaches up to 10∼13 x 10 19 m -2 T -1 . The values are about factors of 1.5∼2.0 higher than those for usual gas-fuelled discharges. The pellet injected discharges have high central density, whereas the electron density in the outer region (a/2 abs and n e 2 (r=50 cm) x Z eff (r=50 cm). (author)
Charge density waves in solids
Gor'kov, LP
2012-01-01
The latest addition to this series covers a field which is commonly referred to as charge density wave dynamics.The most thoroughly investigated materials are inorganic linear chain compounds with highly anisotropic electronic properties. The volume opens with an examination of their structural properties and the essential features which allow charge density waves to develop.The behaviour of the charge density waves, where interesting phenomena are observed, is treated both from a theoretical and an experimental standpoint. The role of impurities in statics and dynamics is considered and an
Magnetothermopower in unconventional density waves
International Nuclear Information System (INIS)
Dora, B.; Maki, K.; Vanyolos, A.; Virosztek, A.
2003-10-01
After a brief introduction on unconventional density waves (i.e. unconventional charge density wave (UCDW) and unconventional spin density wave (USDW)), we discuss the magnetotransport of the low temperature phase (LTP) of α-(BEDT-TTF) 2 KHg(SCN) 4 . Recently we have proposed that the low temperature phase in α-(BEDT-TTF) 2 KHg(SCN 4 should be UCDW. Here we show that UCDW describes very consistently the magnetothermopower of )α-(BEDT-TTF) 2 KHg(SCN) 4 observed by Choi et al. (author)
Kan, Bin; Zhang, Jiangbin; Liu, Feng; Wan, Xiangjian; Li, Chenxi; Ke, Xin; Wang, Yunchuang; Feng, Huanran; Zhang, Yamin; Long, Guankui; Friend, Richard H; Bakulin, Artem A; Chen, Yongsheng
2018-01-01
Organic solar cell optimization requires careful balancing of current-voltage output of the materials system. Here, such optimization using ultrafast spectroscopy as a tool to optimize the material bandgap without altering ultrafast photophysics is reported. A new acceptor-donor-acceptor (A-D-A)-type small-molecule acceptor NCBDT is designed by modification of the D and A units of NFBDT. Compared to NFBDT, NCBDT exhibits upshifted highest occupied molecular orbital (HOMO) energy level mainly due to the additional octyl on the D unit and downshifted lowest unoccupied molecular orbital (LUMO) energy level due to the fluorination of A units. NCBDT has a low optical bandgap of 1.45 eV which extends the absorption range toward near-IR region, down to ≈860 nm. However, the 60 meV lowered LUMO level of NCBDT hardly changes the V oc level, and the elevation of the NCBDT HOMO does not have a substantial influence on the photophysics of the materials. Thus, for both NCBDT- and NFBDT-based systems, an unusually slow (≈400 ps) but ultimately efficient charge generation mediated by interfacial charge-pair states is observed, followed by effective charge extraction. As a result, the PBDB-T:NCBDT devices demonstrate an impressive power conversion efficiency over 12%-among the best for solution-processed organic solar cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
FOREWORD: Special issue on density
Fujii, Kenichi
2004-04-01
This special issue on density was undertaken to provide readers with an overview of the present state of the density standards for solids, liquids and gases, as well as the technologies developed for measuring density. This issue also includes topics on the refractive index of gases and on techniques used for calibrating hydrometers so that almost all areas concerned with density standards are covered in four review articles and seven original articles, most of which describe current research being conducted at national metrology institutes (NMIs). A review article was invited from the Ruhr-Universität Bochum to highlight research on the magnetic suspension densimeters. In metrology, the determinations of the volume of a weight and the density of air are of primary importance in establishing a mass standard because the effect of the buoyancy force of air acting on the weight must be known accurately to determine the mass of the weight. A density standard has therefore been developed at many NMIs with a close relation to the mass standard. Hydrostatic weighing is widely used to measure the volume of a solid. The most conventional hydrostatic weighing method uses water as a primary density standard for measuring the volume of a solid. A brief history of the determination of the density of water is therefore given in a review article, as well as a recommended value for the density of water with a specified isotopic abundance. The most modern technique for hydrostatic weighing uses a solid density standard instead of water. For this purpose, optical interferometers for measuring the diameters of silicon spheres have been developed to convert the length standard into the volume standard with a small uncertainty. A review article is therefore dedicated to describing the state-of-the-art optical interferometers developed for silicon spheres. Relative combined standard uncertainties of several parts in 108 have been achieved today for measuring the volume and density of
Spectral density of Cooper pairs in two level quantum dot–superconductors Josephson junction
Energy Technology Data Exchange (ETDEWEB)
Dhyani, A., E-mail: archana.d2003@gmail.com [Department of Physics, University of Petroleum and Energy Studies, Dehradun 248007, Uttarakhand (India); Rawat, P.S. [Department of Nuclear Science and Technology, University of Petroleum and Energy Studies, Dehradun 248007, Uttarakhand (India); Tewari, B.S., E-mail: bstewari@ddn.upes.ac.in [Department of Physics, University of Petroleum and Energy Studies, Dehradun 248007, Uttarakhand (India)
2016-09-15
Highlights: • The present work deals with the study of the electronic spectral density of electron pairs and its effect in charge transport in superconductor-quantum dot-superconductor junctions. • The charge transfer across such junctions can be controlled by changing the positions of the dot level. • The Josephson supercurrent can also be tuned by controlling the position of quantum dot energy levels. - Abstract: In the present paper, we report the role of quantum dot energy levels on the electronic spectral density for a two level quantum dot coupled to s-wave superconducting leads. The theoretical arguments in this work are based on the Anderson model so that it necessarily includes dot energies, single particle tunneling and superconducting order parameter for BCS superconductors. The expression for single particle spectral function is obtained by using the Green's function equation of motion technique. On the basis of numerical computation of spectral function of superconducting leads, it has been found that the charge transfer across such junctions can be controlled by the positions and availability of the dot levels.
Density Functional Investigation of Graphene Doped with Amine-Based Organic Molecules
Directory of Open Access Journals (Sweden)
Yeun Hee Hwang
2015-01-01
Full Text Available To improve the electronic properties of graphene, many doping techniques have been studied. Herein, we investigate the electronic and molecular structure of doped graphene using density functional theory, and we report the effects of amine-based benzene dopants adsorbed on graphene. Density functional theory (DFT calculations were performed to determine the role of amine-based aromatic compounds in graphene doping. These organic molecules bind to graphene through long-range interactions such as π-π interactions and C-H⋯π hydrogen bonding. We compared the electronic structures of pristine graphene and doped graphene to understand the electronic structure of doped graphene at the molecular level. Also, work functions of doped graphene were obtained from electrostatic potential calculations. A decrease in the work function was observed when the amine-based organic compounds were adsorbed onto graphene. Because these systems are based on physisorption, there was no obvious band structure change at point K at the Fermi level after doping. However, the amine-based organic dopants did change the absolute Fermi energy levels. In this study, we showed that the Fermi levels of the doped graphene were affected by the HOMO energy level of the dopants and by the intermolecular charge transfer between the adsorbed molecules and graphene.
SYNTHESIS, CHARACTERIZATION AND DENSITY FUNCTIONAL ...
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We synthesized a number of aniline derivatives containing acyl groups to compare their barriers of rotation around ... KEY WORDS: Monoacyl aniline, Synthesis, Density functional theory, Rotation barrier. INTRODUCTION. Developments in ...
On the relation between the statistical γ-decay and the level density in 162Dy
International Nuclear Information System (INIS)
Henden, L.; Bergholt, L.; Guttormsen, M.; Rekstad, J.; Tveter, T.S.
1994-12-01
The level density of low-spin states (0-10ℎ) in 162 Dy has been determined from the ground state up to approximately 6 MeV of excitation energy. Levels in the excitation region up to 8 MeV were populated by means of the 163 Dy( 3 He, α) reaction, and the first-generation γ-rays in the decay of these states has been isolated. The energy distribution of the first-generation γ-rays provides a new source of information about the nuclear level density over a wide energy region. A broad peak is observed in the first-generation spectra, and the authors suggest an interpretation in terms of enhanced M1 transitions between different high-j Nilsson orbitals. 30 refs., 9 figs., 2 tabs
Vibronic coupling density and related concepts
International Nuclear Information System (INIS)
Sato, Tohru; Uejima, Motoyuki; Iwahara, Naoya; Haruta, Naoki; Shizu, Katsuyuki; Tanaka, Kazuyoshi
2013-01-01
Vibronic coupling density is derived from a general point of view as a one-electron property density. Related concepts as well as their applications are presented. Linear and nonlinear vibronic coupling density and related concepts, orbital vibronic coupling density, reduced vibronic coupling density, atomic vibronic coupling constant, and effective vibronic coupling density, illustrate the origin of vibronic couplings and enable us to design novel functional molecules or to elucidate chemical reactions. Transition dipole moment density is defined as an example of the one-electron property density. Vibronic coupling density and transition dipole moment density open a way to design light-emitting molecules with high efficiency.
Density Distributions of Cyclotrimethylenetrinitramines (RDX)
International Nuclear Information System (INIS)
Hoffman, D M
2002-01-01
As part of the US Army Foreign Comparative Testing (FCT) program the density distributions of six samples of class 1 RDX were measured using the density gradient technique. This technique was used in an attempt to distinguish between RDX crystallized by a French manufacturer (designated insensitive or IRDX) from RDX manufactured at Holston Army Ammunition Plant (HAAP), the current source of RDX for Department of Defense (DoD). Two samples from different lots of French IRDX had an average density of 1.7958 ± 0.0008 g/cc. The theoretical density of a perfect RDX crystal is 1.806 g/cc. This yields 99.43% of the theoretical maximum density (TMD). For two HAAP RDX lots the average density was 1.786 ± 0.002 g/cc, only 98.89% TMD. Several other techniques were used for preliminary characterization of one lot of French IRDX and two lot of HAAP RDX. Light scattering, SEM and polarized optical microscopy (POM) showed that SNPE and Holston RDX had the appropriate particle size distribution for Class 1 RDX. High performance liquid chromatography showed quantities of HMX in HAAP RDX. French IRDX also showed a 1.1 C higher melting point compared to HAAP RDX in the differential scanning calorimetry (DSC) consistent with no melting point depression due to the HMX contaminant. A second part of the program involved characterization of Holston RDX recrystallized using the French process. After reprocessing the average density of the Holston RDX was increased to 1.7907 g/cc. Apparently HMX in RDX can act as a nucleating agent in the French RDX recrystallization process. The French IRDX contained no HMX, which is assumed to account for its higher density and narrower density distribution. Reprocessing of RDX from Holston improved the average density compared to the original Holston RDX, but the resulting HIRDX was not as dense as the original French IRDX. Recrystallized Holston IRDX crystals were much larger (3-500 (micro)m or more) then either the original class 1 HAAP RDX or French
Directory of Open Access Journals (Sweden)
Ivan Luiz Brondani
2004-12-01
Full Text Available Estudou-se o desempenho de bovinos machos não-castrados das raças Aberdeen Angus (AA e Hereford (HE em confinamento, submetidos a dois níveis de energia, em esquema fatorial 2 x 2, sendo o menor nível com 3,07 e o maior com 3,18 Mcal/kg de energia digestível (12 e 32% de concentrado na dieta, respectivamente. Foram utilizados oito animais da raça AA e oito HE, com idade inicial de nove meses e peso médio inicial de 220,31 kg, que permaneceram confinados até que o peso da carcaça atingiu o mínimo de 190 kg (estimativa. Os animais da raça AA apresentaram maior consumo de MS, em % PV (2,27 vs 2,10% e em g/kg0,75 (91,4 vs 86,4 g. Os animais que consumiram o maior nível de energia na dieta apresentaram maiores consumos de MS/dia (6,31 vs 5,71 kg, em PV (2,26 vs 2,11% e em g/kg0,75 (92,28 vs 85,44 g, de energia digestível (ED, em Mcal/dia (20,58 vs 18,13 Mcal, e de PB, em kg/dia (0,845 vs 0,759 kg, além de maior ganho médio diário de peso (1,409 vs 1,250 kg. Os animais que consumiram o menor nível apresentaram maiores consumos de fibra em detergente neutro (FDN, em kg/dia (2,23 vs 2,07 kg, e de fibra em detergente ácido (FDA, em kg/dia (1,13 vs 1,01 kg. Os consumos de MS/dia, de FDN e de FDA, nos animais que consumiram o menor nível de energia, tiveram comportamento linear e, naqueles que receberam o maior nível, comportamento quadrático, frente aos períodos de confinamento. Para as características consumo de MS, em %PV e em g/kg0,75, nos tratamentos com menor nível de energia, o comportamento foi de forma cúbica e naqueles de maior nível, de forma quadrática. O consumo de ED apresentou, nos períodos, comportamento linear para o menor nível energético e cúbico para o maior nível.The feedlot performance of Aberdeen Angus (AA and Hereford (HE steers submitted to two energy levels, in a 2 x 2 factorial scheme, being the lower level of 3.07 (12% of concentrate in the diet and the higher of 3.18 Mcal of digestible energy
Imaginary time density-density correlations for two-dimensional electron gases at high density
Energy Technology Data Exchange (ETDEWEB)
Motta, M.; Galli, D. E. [Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Moroni, S. [IOM-CNR DEMOCRITOS National Simulation Center and SISSA, Via Bonomea 265, 34136 Trieste (Italy); Vitali, E. [Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795 (United States)
2015-10-28
We evaluate imaginary time density-density correlation functions for two-dimensional homogeneous electron gases of up to 42 particles in the continuum using the phaseless auxiliary field quantum Monte Carlo method. We use periodic boundary conditions and up to 300 plane waves as basis set elements. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products, and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems. We discuss the numerical stabilization techniques and the computational complexity of the methodology and we present the limitations related to the size of the systems on a quantitative basis. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of medium-sized homogeneous fermion systems.
Occupation number dependence of molecular energy levels
International Nuclear Information System (INIS)
Giambiagi, M.S. de; Giambiagi, M.; Ferreira, R.
1977-08-01
The Roothaan expression for the energy of a closed-shell molecular system is generalized in order to apply to open shells. A continuous variation from 0 to 2 is supposed for each level's occupation number, extending to this range tbe correction due to the spurious repulsion appearing in the half-electron method. The characteristic equations of the Xα method are applied to the energy expressions. The one level case is discussed in detail. Ionic and excited states of the 1,3 transbutadiene π system are analyzed
Energy levels of highly ionized atoms
International Nuclear Information System (INIS)
Martin, W.C.
1981-01-01
Most of the data reviewed here were derived from spectra photographed in the wavelength range from 600 A down to about 20 A (approx. 20 to 600 eV). Measurements with uncertainties less than 0.001 A relative to appropriate standard wavelengths can be made with high-resolution diffraction-grating spectroscopy over most of the vacuum-ultraviolet region. Although this uncertainty corresponds to relative errors of 1 part per million (ppM) at 1000 A and 20 ppM at 50 A, measurements with uncertainties smaller than 0.001 A would generally require more effort at the shorter wavelengths, mainly because of the sparsity of accurate standards. Even where sufficiently numerous and accurate standards are available, the accuracy of measurements of the spectra of very high temperature plasmas is limited by Doppler broadening and, in some cases, other plasma effects. Several sources of error combine to give total estimated errors ranging from 10 to 1000 ppM for the experimental wavelengths of interest here. It will be seen, however, that with the possible exception of a few fine-structure splittings the experimental errors are small compared to the errors of the relevant theoretical calculations
Revised energy levels of singly ionized lanthanum
Güzelçimen, Feyza; Tonka, Mehdi; Uddin, Zaheer; Bhatti, Naveed Anjum; Windholz, Laurentius; Kröger, Sophie; Başar, Gönül
2018-05-01
Based on the experimental wavenumbers of 344 spectral lines from calibrated Fourier transform (FT) spectra as well as wavenumbers of 81 lines from the wavelength tables from literature, the energy of 115 fine structure levels of singly ionized lanthanum has been revised by weighted global fits. The classifications of the lines are provided by numerous previous investigations of lanthanum by different spectroscopic methods and authors. For the high accurate determination of the center of gravity wavenumbers from the experimental spectrum, the hyperfine constants of the involved levels have been taken into account, if possible. For the 94 levels with known hyperfine constants the accuracy of energy values is better than 0.01 cm-1. For 34 levels the magnetic dipole hyperfine constants A have been determined from FT spectra as part of this work. For four of these 34 levels even electric quadrupole hyperfine constants B could be estimated. For levels, which have experimentally unknown hyperfine constants and which are connected only by lines not found in the FT spectra but taken from literature, the uncertainties of energy values are about a factor of 10 higher. A list of all revised level energies together with a compilation of hyperfine structure data is given as well as a list of all lines used.
Nuclear energy levels and elementary particles
International Nuclear Information System (INIS)
de Wet, J.A.
1982-01-01
Considering only exchange forces, the binding energies and excited states of nuclei up to 24 Mg are predicted to within charge independence, and there is no reason why the model should not be extended to cover all of the elements. A comparison of theory with experiment shows that the energy of one exchange is 2.56 MeV. Moreover, there is an attractive well of depth 30 MeV, corresponding to the helium nucleus. before exchange forces become operative. A possible explanation of the origin of mesons is also presented
New energy level identifications in Kr VI
International Nuclear Information System (INIS)
Tauheed, A.; Pinnington, E.H.; Ansbacher, W.; Kernahan, J.A.
1990-01-01
Beam-foil delayed spectra from 89.0 to 101.0 nm are used to identify the intercombination lines connecting the 4s4p 2 4 P and 4s 2 4p 2 P levels in Kr VI. The existing analysis is extended to include the 4s 2 5s 2 S 1/2 , 4f 2 F 5/2 , 2 F 7/2 , 4p 3 2 D 3/2 , 2 D 5/2 , 2 P 3/2 , 4 S 3/2 and 4s4p 2 4 P 1/2 , 4 P 3/2 , 4 P 5/2 levels. Lifetime measurements for the 4s4p 2 4 P 1/2 , 4 P 5/2 , 4p 3 2 D 3/2 and 2 D 5/2 levels are also discussed in support of these assignments. (orig.)
International Nuclear Information System (INIS)
Mech, Agnieszka; Gajek, Zbigniew; Karbowiak, Miroslaw; Rudowicz, Czeslaw
2008-01-01
Optical absorption measurements of Nd 3+ ions in single crystals of [Nd(hfa) 4 (H 2 O)](N(C 2 H 5 ) 4 ) (hfa = hexafluoroacetyloacetonate), denoted Nd(hfa) for short, have been carried out at 4.2 and 298 K. This compound crystallizes in the monoclinic system (space group P 2 1 /n). Each Nd ion is coordinated to eight oxygen atoms that originate from the hexafluoroacetylacetonate ligands and one oxygen atom from the water molecule. A total of 85 experimental crystal-field (CF) energy levels arising from the Nd 3+ (4f 3 ) electronic configuration were identified in the optical spectra and assigned. A three-step CF analysis was carried out in terms of a parametric Hamiltonian for the actual C 1 symmetry at the Nd 3+ ion sites. In the first step, a total of 27 CF parameters (CFPs) in the Wybourne notation B kq , admissible by group theory, were determined in a preliminary fitting constrained by the angular overlap model predictions. The resulting CFP set was reduced to 24 specific independent CFPs using appropriate standardization transformations. Optimizations of the second-rank CFPs and extended scanning of the parameter space were employed in the second step to improve reliability of the CFP sets, which is rather a difficult task in the case of no site symmetry. Finally, seven free-ion parameters and 24 CFPs were freely varied, yielding an rms deviation between the calculated energy levels and the 85 observed ones of 11.1 cm -1 . Our approach also allows prediction of the energy levels of Nd 3+ ions that are hidden in the spectral range overlapping with strong ligand absorption, which is essential for understanding the inter-ionic energy transfer. The orientation of the axis system associated with the fitted CF parameters w.r.t. the crystallographic axes is established. The procedure adopted in our calculations may be considered as a general framework for analysis of CF levels of lanthanide ions at low (triclinic) symmetry sites
Mech, Agnieszka; Gajek, Zbigniew; Karbowiak, Mirosław; Rudowicz, Czesław
2008-09-24
Optical absorption measurements of Nd(3+) ions in single crystals of [Nd(hfa)(4)(H(2)O)](N(C(2)H(5))(4)) (hfa = hexafluoroacetyloacetonate), denoted Nd(hfa) for short, have been carried out at 4.2 and 298 K. This compound crystallizes in the monoclinic system (space group P 2(1)/n). Each Nd ion is coordinated to eight oxygen atoms that originate from the hexafluoroacetylacetonate ligands and one oxygen atom from the water molecule. A total of 85 experimental crystal-field (CF) energy levels arising from the Nd(3+) (4f(3)) electronic configuration were identified in the optical spectra and assigned. A three-step CF analysis was carried out in terms of a parametric Hamiltonian for the actual C(1) symmetry at the Nd(3+) ion sites. In the first step, a total of 27 CF parameters (CFPs) in the Wybourne notation B(kq), admissible by group theory, were determined in a preliminary fitting constrained by the angular overlap model predictions. The resulting CFP set was reduced to 24 specific independent CFPs using appropriate standardization transformations. Optimizations of the second-rank CFPs and extended scanning of the parameter space were employed in the second step to improve reliability of the CFP sets, which is rather a difficult task in the case of no site symmetry. Finally, seven free-ion parameters and 24 CFPs were freely varied, yielding an rms deviation between the calculated energy levels and the 85 observed ones of 11.1 cm(-1). Our approach also allows prediction of the energy levels of Nd(3+) ions that are hidden in the spectral range overlapping with strong ligand absorption, which is essential for understanding the inter-ionic energy transfer. The orientation of the axis system associated with the fitted CF parameters w.r.t. the crystallographic axes is established. The procedure adopted in our calculations may be considered as a general framework for analysis of CF levels of lanthanide ions at low (triclinic) symmetry sites.
Mech, Agnieszka; Gajek, Zbigniew; Karbowiak, Mirosław; Rudowicz, Czesław
2008-09-01
Optical absorption measurements of Nd3+ ions in single crystals of [Nd(hfa)4(H2O)](N(C2H5)4) (hfa = hexafluoroacetyloacetonate), denoted Nd(hfa) for short, have been carried out at 4.2 and 298 K. This compound crystallizes in the monoclinic system (space group P 21/n). Each Nd ion is coordinated to eight oxygen atoms that originate from the hexafluoroacetylacetonate ligands and one oxygen atom from the water molecule. A total of 85 experimental crystal-field (CF) energy levels arising from the Nd3+ (4f3) electronic configuration were identified in the optical spectra and assigned. A three-step CF analysis was carried out in terms of a parametric Hamiltonian for the actual C1 symmetry at the Nd3+ ion sites. In the first step, a total of 27 CF parameters (CFPs) in the Wybourne notation Bkq, admissible by group theory, were determined in a preliminary fitting constrained by the angular overlap model predictions. The resulting CFP set was reduced to 24 specific independent CFPs using appropriate standardization transformations. Optimizations of the second-rank CFPs and extended scanning of the parameter space were employed in the second step to improve reliability of the CFP sets, which is rather a difficult task in the case of no site symmetry. Finally, seven free-ion parameters and 24 CFPs were freely varied, yielding an rms deviation between the calculated energy levels and the 85 observed ones of 11.1 cm-1. Our approach also allows prediction of the energy levels of Nd3+ ions that are hidden in the spectral range overlapping with strong ligand absorption, which is essential for understanding the inter-ionic energy transfer. The orientation of the axis system associated with the fitted CF parameters w.r.t. the crystallographic axes is established. The procedure adopted in our calculations may be considered as a general framework for analysis of CF levels of lanthanide ions at low (triclinic) symmetry sites.
Comparison of density estimators. [Estimation of probability density functions
Energy Technology Data Exchange (ETDEWEB)
Kao, S.; Monahan, J.F.
1977-09-01
Recent work in the field of probability density estimation has included the introduction of some new methods, such as the polynomial and spline methods and the nearest neighbor method, and the study of asymptotic properties in depth. This earlier work is summarized here. In addition, the computational complexity of the various algorithms is analyzed, as are some simulations. The object is to compare the performance of the various methods in small samples and their sensitivity to change in their parameters, and to attempt to discover at what point a sample is so small that density estimation can no longer be worthwhile. (RWR)
Statistical theory of electron densities
International Nuclear Information System (INIS)
Pratt, L.R.; Hoffman, G.G.; Harris, R.A.
1988-01-01
An optimized Thomas--Fermi theory is proposed which retains the simplicity of the original theory and is a suitable reference theory for Monte Carlo density functional treatments of condensed materials. The key ingredient of the optimized theory is a neighborhood sampled potential which contains effects of the inhomogeneities in the one-electron potential. In contrast to the traditional Thomas--Fermi approach, the optimized theory predicts a finite electron density in the vicinity of a nucleus. Consideration of the example of an ideal electron gas subject to a central Coulomb field indicates that implementation of the approach is straightforward. The optimized theory is found to fail completely when a classically forbidden region is approached. However, these circumstances are not of primary interest for calculations of interatomic forces. It is shown how the energy functional of the density may be constructed by integration of a generalized Hellmann--Feynman relation. This generalized Hellmann--Feynman relation proves to be equivalent to the variational principle of density functional quantum mechanics, and, therefore, the present density theory can be viewed as a variational consequence of the constructed energy functional
Directory of Open Access Journals (Sweden)
Firmino José Vieira Barbosa
2008-05-01
Full Text Available Quatrocentas aves com peso médio de 675,00 g foram distribuídas em delineamento de blocos casualizados, com base no peso das aves, com cinco tratamentos e quatro repetições. As dietas experimentais foram constituídas de cinco níveis de energia metabolizável (2.800, 2.900, 3.000, 3.100 e 3.200 kcal de EM/kg de ração formuladas para atender às exigências nutricionais, exceto de energia metabolizável. O aumento do nível de energia das rações foi obtido pela adição de óleo de soja. Realizaram-se análises de variância e de regressão, associando-se os níveis de energia aos valores das variáveis estudadas. As aves foram avaliadas quanto ao desempenho (consumo de ração, ganho de peso e conversão alimentar e às características de carcaça nos períodos de 22 a 35 dias, 36 a 42 dias, 43 aos 49 dias e de 22 a 49 dias de idade. O ganho de peso e a conversão alimentar de frangos de corte da linhagem Hubbard mantidos em ambiente de alta temperatura não são influenciados pelos níveis de energia metabolizável da ração. Os níveis de energia da dieta não afetam os rendimentos de carcaça, coxa, sobrecoxa, asa, tulipa, moela coração fígado, proventrículo e intestino. Entretanto, a gordura abdominal aumenta e o rendimento de peito decresce proporcionalmente à elevação da energia da dieta em ambiente de altas temperaturas.Four hundred birds Hubbard linage with average weight of 675g were distributed to completely randomized block design, based in birds he weight, with five treatments and four replications. The experimental diets were constituted of five metabolizable energy levels (2,800, 2,900, 3,000, 3,100 and 3,200 kcal of ME/kg ration formulated to attend the nutritional requirements, except for metabolizable energy. The increase of energy was obtained by the addition of soybean oil. The variance and regression analysis was made, associating the energy levels with the values of the studied characteristics. The birds
Current interruption by density depression
International Nuclear Information System (INIS)
Wagner, J.S.; Tajima, T.; Akasofu, S.I.
1985-04-01
Using a one-dimensional electrostatic particle code, we examine processes associated with current interruption in a collisionless plasma when a density depression is present along the current channel. Current interruption due to double layers was suggested by Alfven and Carlqvist (1967) as a cause of solar flares. At a local density depression, plasma instabilities caused by an electron current flow are accentuated, leading to current disruption. Our simulation study encompasses a wide range of the parameters in such a way that under appropriate conditions, both the Alfven and Carlqvist (1967) regime and the Smith and Priest (1972) regime take place. In the latter regime the density depression decays into a stationary structure (''ion-acoustic layer'') which spawns a series of ion-acoustic ''solitons'' and ion phase space holes travelling upstream. A large inductance of the current circuit tends to enhance the plasma instabilities
Sleep spindle density in narcolepsy
DEFF Research Database (Denmark)
Christensen, Julie Anja Engelhard; Nikolic, Miki; Hvidtfelt, Mathias
2017-01-01
BACKGROUND: Patients with narcolepsy type 1 (NT1) show alterations in sleep stage transitions, rapid-eye-movement (REM) and non-REM sleep due to the loss of hypocretinergic signaling. However, the sleep microstructure has not yet been evaluated in these patients. We aimed to evaluate whether...... the sleep spindle (SS) density is altered in patients with NT1 compared to controls and patients with narcolepsy type 2 (NT2). METHODS: All-night polysomnographic recordings from 28 NT1 patients, 19 NT2 patients, 20 controls (C) with narcolepsy-like symptoms, but with normal cerebrospinal fluid hypocretin...... levels and multiple sleep latency tests, and 18 healthy controls (HC) were included. Unspecified, slow, and fast SS were automatically detected, and SS densities were defined as number per minute and were computed across sleep stages and sleep cycles. The between-cycle trends of SS densities in N2...
High Energy Density Laboratory Astrophysics
Lebedev, Sergey V
2007-01-01
During the past decade, research teams around the world have developed astrophysics-relevant research utilizing high energy-density facilities such as intense lasers and z-pinches. Every two years, at the International conference on High Energy Density Laboratory Astrophysics, scientists interested in this emerging field discuss the progress in topics covering: - Stellar evolution, stellar envelopes, opacities, radiation transport - Planetary Interiors, high-pressure EOS, dense plasma atomic physics - Supernovae, gamma-ray bursts, exploding systems, strong shocks, turbulent mixing - Supernova remnants, shock processing, radiative shocks - Astrophysical jets, high-Mach-number flows, magnetized radiative jets, magnetic reconnection - Compact object accretion disks, x-ray photoionized plasmas - Ultrastrong fields, particle acceleration, collisionless shocks. These proceedings cover many of the invited and contributed papers presented at the 6th International Conference on High Energy Density Laboratory Astrophys...
Energy vs. density on paths toward exact density functionals
DEFF Research Database (Denmark)
Kepp, Kasper Planeta
2018-01-01
Recently, the progression toward more exact density functional theory has been questioned, implying a need for more formal ways to systematically measure progress, i.e. a “path”. Here I use the Hohenberg-Kohn theorems and the definition of normality by Burke et al. to define a path toward exactness...
Density dependence of the nuclear energy-density functional
Papakonstantinou, Panagiota; Park, Tae-Sun; Lim, Yeunhwan; Hyun, Chang Ho
2018-01-01
Background: The explicit density dependence in the coupling coefficients entering the nonrelativistic nuclear energy-density functional (EDF) is understood to encode effects of three-nucleon forces and dynamical correlations. The necessity for the density-dependent coupling coefficients to assume the form of a preferably small fractional power of the density ρ is empirical and the power is often chosen arbitrarily. Consequently, precision-oriented parametrizations risk overfitting in the regime of saturation and extrapolations in dilute or dense matter may lose predictive power. Purpose: Beginning with the observation that the Fermi momentum kF, i.e., the cubic root of the density, is a key variable in the description of Fermi systems, we first wish to examine if a power hierarchy in a kF expansion can be inferred from the properties of homogeneous matter in a domain of densities, which is relevant for nuclear structure and neutron stars. For subsequent applications we want to determine a functional that is of good quality but not overtrained. Method: For the EDF, we fit systematically polynomial and other functions of ρ1 /3 to existing microscopic, variational calculations of the energy of symmetric and pure neutron matter (pseudodata) and analyze the behavior of the fits. We select a form and a set of parameters, which we found robust, and examine the parameters' naturalness and the quality of resulting extrapolations. Results: A statistical analysis confirms that low-order terms such as ρ1 /3 and ρ2 /3 are the most relevant ones in the nuclear EDF beyond lowest order. It also hints at a different power hierarchy for symmetric vs. pure neutron matter, supporting the need for more than one density-dependent term in nonrelativistic EDFs. The functional we propose easily accommodates known or adopted properties of nuclear matter near saturation. More importantly, upon extrapolation to dilute or asymmetric matter, it reproduces a range of existing microscopic
Han, Chunmiao; Zhang, Zhensong; Xu, Hui; Li, Jing; Zhao, Yi; Yan, Pengfei; Liu, Shiyong
2013-01-21
A series of donor (D)-π-acceptor (A)-type phosphine-oxide hosts (DBF(x) POPhCz(n)), which were composed of phenylcarbazole, dibenzofuran (DBF), and diphenylphosphine-oxide (DPPO) moieties, were designed and synthesized. Phenyl π-spacer groups were inserted between the carbazolyl and DBF groups, which effectively weakened the charge transfer and triplet-excited-state extension. As the result, the first triplet energy levels (T(1)) of DBF(x)POPhCz(n) are elevated to about 3.0 eV, 0.1 eV higher than their D-A-type analogues. Nevertheless, the electrochemical analysis and DFT calculations demonstrated the ambipolar characteristics of DBF(x)POPhCz(n). The phenyl π spacers hardly influenced the frontier molecular orbital (FMO) energy levels and the carrier-transporting ability of the materials. Therefore, these D-π-A systems are endowed with higher T(1) states, as well as comparable electrical properties to D-A systems. Phosphorescent blue-light-emitting diodes (PHOLEDs) that were based on DBF(x)POPhCz(n) not only inherited the ultralow driving voltages (2.4 V for onset, about 2.8 V at 200 cd m(-2), and efficiencies, including about 26 cd A(-1) for current efficiency, 30 Lm W(-1) for power efficiency, and 13% for external quantum efficiency, which were more than twice the values of devices that are based on conventional unipolar host materials. This performance makes DBFDPOPhCz(n) among the best hosts for ultralow-voltage-driven blue PHOLEDs reported so far. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Simulating QCD at finite density
de Forcrand, Philippe
2009-01-01
In this review, I recall the nature and the inevitability of the "sign problem" which plagues attempts to simulate lattice QCD at finite baryon density. I present the main approaches used to circumvent the sign problem at small chemical potential. I sketch how one can predict analytically the severity of the sign problem, as well as the numerically accessible range of baryon densities. I review progress towards the determination of the pseudo-critical temperature T_c(mu), and towards the identification of a possible QCD critical point. Some promising advances with non-standard approaches are reviewed.
Momentum density maps for molecules
International Nuclear Information System (INIS)
Cook, J.P.D.; Brion, C.E.
1982-01-01
Momentum-space and position-space molecular orbital density functions computed from LCAO-MO-SCF wavefunctions are used to rationalize the shapes of some momentum distributions measured by binary (e,2e) spectroscopy. A set of simple rules is presented which enable one to sketch the momentum density function and the momentum distribution from a knowledge of the position-space wavefunction and the properties and effects of the Fourier Transform and the spherical average. Selected molecular orbitals of H 2 , N 2 and CO 2 are used to illustrate this work
Photoionization and High Density Gas
Kallman, T.; Bautista, M.; White, Nicholas E. (Technical Monitor)
2002-01-01
We present results of calculations using the XSTAR version 2 computer code. This code is loosely based on the XSTAR v.1 code which has been available for public use for some time. However it represents an improvement and update in several major respects, including atomic data, code structure, user interface, and improved physical description of ionization/excitation. In particular, it now is applicable to high density situations in which significant excited atomic level populations are likely to occur. We describe the computational techniques and assumptions, and present sample runs with particular emphasis on high density situations.
Flashing coupled density wave oscillation
International Nuclear Information System (INIS)
Jiang Shengyao; Wu Xinxin; Zhang Youjie
1997-07-01
The experiment was performed on the test loop (HRTL-5), which simulates the geometry and system design of the 5 MW reactor. The phenomenon and mechanism of different kinds of two-phase flow instabilities, namely geyser instability, flashing instability and flashing coupled density wave instability are described. The especially interpreted flashing coupled density wave instability has never been studied well, it is analyzed by using a one-dimensional non-thermo equilibrium two-phase flow drift model computer code. Calculations are in good agreement with the experiment results. (5 refs.,5 figs., 1 tab.)
DEFF Research Database (Denmark)
Takenaga, K.; Matsuo, S.; Saitoh, K.
2016-01-01
High-density single-mode multicore fibers were designed and fabricated. A heterogeneous 30-core fiber realized a low crosstalk of −55 dB. A quasi-single-mode homogeneous 31-core fiber attained the highest core count as a single-mode multicore fiber.......High-density single-mode multicore fibers were designed and fabricated. A heterogeneous 30-core fiber realized a low crosstalk of −55 dB. A quasi-single-mode homogeneous 31-core fiber attained the highest core count as a single-mode multicore fiber....
High density operation in pulsator
International Nuclear Information System (INIS)
Klueber, O.; Cannici, B.; Engelhardt, W.; Gernhardt, J.; Glock, E.; Karger, F.; Lisitano, G.; Mayer, H.M.; Meisel, D.; Morandi, P.
1976-03-01
This report summarizes the results of experiments at high electron densities (>10 14 cm -3 ) which have been achieved by pulsed gas inflow during the discharge. At these densities a regime is established which is characterized by βsub(p) > 1, nsub(i) approximately nsub(e), Tsub(i) approximately Tsub(e) and tausub(E) proportional to nsub(e). Thus the toroidal magnetic field contributes considerably to the plasma confinement and the ions constitute almost half of the plasma pressure. Furthermore, the confinement is appreciably improved and the plasma becomes impermeable to hot neutrals. (orig.) [de
Creating Great Neighborhoods: Density in Your Community
This report highlights nine community-led efforts to create vibrant neighborhoods through density, discusses the connections between smart growth and density, and introduces design principles to ensure that density becomes a community asset.
Level densities in nuclear physics
International Nuclear Information System (INIS)
Beckerman, M.
1978-01-01
In the independent-particle model nucleons move independently in a central potential. There is a well-defined set of single- particle orbitals, each nucleon occupies one of these orbitals subject to Fermi statistics, and the total energy of the nucleus is equal to the sum of the energies of the individual nucleons. The basic question is the range of validity of this Fermi gas description and, in particular, the roles of the residual interactions and collective modes. A detailed examination of experimental level densities in light-mass system is given to provide some insight into these questions. Level densities over the first 10 MeV or so in excitation energy as deduced from neutron and proton resonances data and from spectra of low-lying bound levels are discussed. To exhibit some of the salient features of these data comparisons to independent-particle (shell) model calculations are presented. Shell structure is predicted to manifest itself through discontinuities in the single-particle level density at the Fermi energy and through variatons in the occupancy of the valence orbitals. These predictions are examined through combinatorial calculations performed with the Grover [Phys. Rev., 157, 832(1967), 185 1303(1969)] odometer method. Before the discussion of the experimenta results, statistical mechanical level densities for spherical nuclei are reviewed. After consideration of deformed nuclei, the conclusions resulting from this work are drawn. 7 figures, 3 tables
Solar corona electron density distribution
International Nuclear Information System (INIS)
Esposito, P.B.; Edenhofer, P.; Lueneburg, E.
1980-01-01
Three and one-half months of single-frequency (f= 0 2.2 x 10 9 Hz) time delay data (earth-to-spacecraft and return signal travel time) were acquired from the Helios 2 spacecraft around the time of its solar occupation (May 16, 1976). Following the determination of the spacecraft trajectory the excess time delay due to the integrated effect of free electrons along the signal's ray path could be separated and modeled. An average solar corona, equatorial, electron density profile, during solar minimum, was deduced from time delay measurements acquired within 5--60 solar radii (R/sub S/) of the sun. As a point of reference, at 10 R/sub S/ from the sun we find an average electron density of 4500 el cm -3 . However, there appears to be an asymmtry in the electron density as the ray path moved from the west (preoccultation) to east (post-occulation) solar limb. This may be related to the fact that during entry into occulation the heliographic latitude of the ray path (at closes approach to the sun) was about 6 0 , whereas during exit it became -7 0 . The Helios electron density model is compared with similar models deduced from a variety of different experimental techniques. Within 5--20 R/sub S/ of the sun the models separate according to solar minimum or maximum conditions; however, anomalies are evident
Electron densities in planetary nebulae
International Nuclear Information System (INIS)
Stanghellini, L.; Kaler, J.B.
1989-01-01
Electron densities for 146 planetary nebulae have been obtained for analyzing a large sample of forbidden lines by interpolating theoretical curves obtained from solutions of the five-level atoms using up-to-date collision strengths and transition probabilities. Electron temperatures were derived from forbidden N II and/or forbidden O III lines or were estimated from the He II 4686 A line strengths. The forbidden O II densities are generally lower than those from forbidden Cl III by an average factor of 0.65. For data sets in which forbidden O II and forbidden S II were observed in common, the forbidden O II values drop to 0.84 that of the forbidden S II, implying that the outermost parts of the nebulae might have elevated densities. The forbidden Cl II and forbidden Ar IV densities show the best correlation, especially where they have been obtained from common data sets. The data give results within 30 percent of one another, assuming homogeneous nebulae. 106 refs
Indian Academy of Sciences (India)
QCD predicts a phase transition between hadronic matter and a quark-gluon plasma at high energy density. The relativistic heavy ion collider (RHIC) at Brookhaven National Laboratory is a new facility dedicated to the experimental study of matter under extreme conditions. Already the first round of experimental results at ...
density-dependent selection revisited
Indian Academy of Sciences (India)
Unknown
is a more useful way of looking at density-dependent selection, and then go on ... these models was that the condition for maintenance of ... In a way, their formulation may be viewed as ... different than competition among species, and typical.
Modern charge-density analysis
Gatti, Carlo
2012-01-01
Focusing on developments from the past 10-15 years, this volume presents an objective overview of the research in charge density analysis. The most promising methodologies are included, in addition to powerful interpretative tools and a survey of important areas of research.
Optimization of Barron density estimates
Czech Academy of Sciences Publication Activity Database
Vajda, Igor; van der Meulen, E. C.
2001-01-01
Roč. 47, č. 5 (2001), s. 1867-1883 ISSN 0018-9448 R&D Projects: GA ČR GA102/99/1137 Grant - others:Copernicus(XE) 579 Institutional research plan: AV0Z1075907 Keywords : Barron estimator * chi-square criterion * density estimation Subject RIV: BD - Theory of Information Impact factor: 2.077, year: 2001
High current density ion source
International Nuclear Information System (INIS)
King, H.J.
1977-01-01
A high-current-density ion source with high total current is achieved by individually directing the beamlets from an electron bombardment ion source through screen and accelerator electrodes. The openings in these screen and accelerator electrodes are oriented and positioned to direct the individual beamlets substantially toward a focus point. 3 figures, 1 table
International Nuclear Information System (INIS)
Alladio, F.
1985-01-01
A short summary of the present status of experimental observations, theoretical ideas and understanding of the density limit in tokamaks is presented. It is the result of the discussion that was held on this topic at the 4th European Tokamak Workshop in Copenhagen (December 4th to 6th, 1985). 610 refs
Density estimation from local structure
CSIR Research Space (South Africa)
Van der Walt, Christiaan M
2009-11-01
Full Text Available Mixture Model (GMM) density function of the data and the log-likelihood scores are compared to the scores of a GMM trained with the expectation maximization (EM) algorithm on 5 real-world classification datasets (from the UCI collection). They show...
Dual model for parton densities
International Nuclear Information System (INIS)
El Hassouni, A.; Napoly, O.
1981-01-01
We derive power-counting rules for quark densities near x=1 and x=0 from parton interpretations of one-particle inclusive dual amplitudes. Using these rules, we give explicit expressions for quark distributions (including charm) inside hadrons. We can then show the compatibility between fragmentation and recombination descriptions of low-p/sub perpendicular/ processes
Micro Coriolis Gas Density Sensor
Sparreboom, Wouter; Ratering, Gijs; Kruijswijk, Wim; van der Wouden, E.J.; Groenesteijn, Jarno; Lötters, Joost Conrad
2017-01-01
In this paper we report on gas density measurements using a micro Coriolis sensor. The technology to fabricate the sensor is based on surface channel technology. The measurement tube is freely suspended and has a wall thickness of only 1 micron. This renders the sensor extremely sensitive to changes
Method of measuring surface density
International Nuclear Information System (INIS)
Gregor, J.
1982-01-01
A method is described of measuring surface density or thickness, preferably of coating layers, using radiation emitted by a suitable radionuclide, e.g., 241 Am. The radiation impinges on the measured material, e.g., a copper foil and in dependence on its surface density or thickness part of the flux of impinging radiation is reflected and part penetrates through the material. The radiation which has penetrated through the material excites in a replaceable adjustable backing characteristic radiation of an energy close to that of the impinging radiation (within +-30 keV). Part of the flux of the characteristic radiation spreads back to the detector, penetrates through the material in which in dependence on surface density or thickness of the coating layer it is partly absorbed. The flux of the penetrated characteristic radiation impinging on the face of the detector is a function of surface density or thickness. Only that part of the energy is evaluated of the energy spectrum which corresponds to the energy of characteristic radiation. (B.S.)
Information Density and Syntactic Repetition
Temperley, David; Gildea, Daniel
2015-01-01
In noun phrase (NP) coordinate constructions (e.g., NP and NP), there is a strong tendency for the syntactic structure of the second conjunct to match that of the first; the second conjunct in such constructions is therefore low in syntactic information. The theory of uniform information density predicts that low-information syntactic…
Ferreira, Lizé-Mari; Eaby, Alan; Dillen, Jan
2017-12-15
The topology of the Coulomb potential density has been studied within the context of the theory of Atoms in Molecules and has been compared with the topologies of the electron density, the virial energy density and the Ehrenfest force density. The Coulomb potential density is found to be mainly structurally homeomorphic with the electron density. The Coulomb potential density reproduces the non-nuclear attractor which is observed experimentally in the molecular graph of the electron density of a Mg dimer, thus, for the first time ever providing an alternative and energetic foundation for the existence of this critical point. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Double trouble at high density:
DEFF Research Database (Denmark)
Gergs, André; Palmqvist, Annemette; Preuss, Thomas G
2014-01-01
Population size is often regulated by negative feedback between population density and individual fitness. At high population densities, animals run into double trouble: they might concurrently suffer from overexploitation of resources and also from negative interference among individuals...... regardless of resource availability, referred to as crowding. Animals are able to adapt to resource shortages by exhibiting a repertoire of life history and physiological plasticities. In addition to resource-related plasticity, crowding might lead to reduced fitness, with consequences for individual life...... history. We explored how different mechanisms behind resource-related plasticity and crowding-related fitness act independently or together, using the water flea Daphnia magna as a case study. For testing hypotheses related to mechanisms of plasticity and crowding stress across different biological levels...
Generalized Expression for Polarization Density
International Nuclear Information System (INIS)
Wang, Lu; Hahm, T.S.
2009-01-01
A general polarization density which consists of classical and neoclassical parts is systematically derived via modern gyrokinetics and bounce-kinetics by employing a phase-space Lagrangian Lie-transform perturbation method. The origins of polarization density are further elucidated. Extending the work on neoclassical polarization for long wavelength compared to ion banana width [M. N. Rosenbluth and F. L. Hinton, Phys. Rev. Lett. 80, 724 (1998)], an analytical formula for the generalized neoclassical polarization including both finite-banana-width (FBW) and finite-Larmor-radius (FLR) effects for arbitrary radial wavelength in comparison to banana width and gyroradius is derived. In additional to the contribution from trapped particles, the contribution of passing particles to the neoclassical polarization is also explicitly calculated. Our analytic expression agrees very well with the previous numerical results for a wide range of radial wavelength.
Asymptotic density and effective negligibility
Astor, Eric P.
In this thesis, we join the study of asymptotic computability, a project attempting to capture the idea that an algorithm might work correctly in all but a vanishing fraction of cases. In collaboration with Hirschfeldt and Jockusch, broadening the original investigation of Jockusch and Schupp, we introduce dense computation, the weakest notion of asymptotic computability (requiring only that the correct answer is produced on a set of density 1), and effective dense computation, where every computation halts with either the correct answer or (on a set of density 0) a symbol denoting uncertainty. A few results make more precise the relationship between these notions and work already done with Jockusch and Schupp's original definitions of coarse and generic computability. For all four types of asymptotic computation, including generic computation, we demonstrate that non-trivial upper cones have measure 0, building on recent work of Hirschfeldt, Jockusch, Kuyper, and Schupp in which they establish this for coarse computation. Their result transfers to yield a minimal pair for relative coarse computation; we generalize their method and extract a similar result for relative dense computation (and thus for its corresponding reducibility). However, all of these notions of near-computation treat a set as negligible iff it has asymptotic density 0. Noting that this definition is not computably invariant, this produces some failures of intuition and a break with standard expectations in computability theory. For instance, as shown by Hamkins and Miasnikov, the halting problem is (in some formulations) effectively densely computable, even in polynomial time---yet this result appears fragile, as indicated by Rybalov. In independent work, we respond to this by strengthening the approach of Jockusch and Schupp to avoid such phenomena; specifically, we introduce a new notion of intrinsic asymptotic density, invariant under computable permutation, with rich relations to both
High density energy storage capacitor
International Nuclear Information System (INIS)
Whitham, K.; Howland, M.M.; Hutzler, J.R.
1979-01-01
The Nova laser system will use 130 MJ of capacitive energy storage and have a peak power capability of 250,000 MW. This capacitor bank is a significant portion of the laser cost and requires a large portion of the physical facilities. In order to reduce the cost and volume required by the bank, the Laser Fusion Program funded contracts with three energy storage capacitor producers: Aerovox, G.E., and Maxwell Laboratories, to develop higher energy density, lower cost energy storage capacitors. This paper describes the designs which resulted from the Aerovox development contract, and specifically addresses the design and initial life testing of a 12.5 kJ, 22 kV capacitor with a density of 4.2 J/in 3 and a projected cost in the range of 5 cents per joule
Density operators in quantum mechanics
International Nuclear Information System (INIS)
Burzynski, A.
1979-01-01
A brief discussion and resume of density operator formalism in the way it occurs in modern physics (in quantum optics, quantum statistical physics, quantum theory of radiation) is presented. Particularly we emphasize the projection operator method, application of spectral theorems and superoperators formalism in operator Hilbert spaces (Hilbert-Schmidt type). The paper includes an appendix on direct sums and direct products of spaces and operators, and problems of reducibility for operator class by using the projection operators. (author)
International Nuclear Information System (INIS)
Lombard, R.J.; Mas, D.; Moszkowski, S.A.
1991-01-01
We discuss two expressions for the density of kinetic energy which differ by an integration by parts. Using the Wigner transform we shown that the arithmetic mean of these two terms is closely analogous to the classical value. Harmonic oscillator wavefunctions are used to illustrate the radial dependence of these expressions. We study the differences they induce through effective mass terms when performing self-consistent calculations. (author)
Neutronic density perturbation by probes
International Nuclear Information System (INIS)
Vigon, M. A.; Diez, L.
1956-01-01
The introduction of absorbent materials of neutrons in diffuser media, produces local disturbances of neutronic density. The disturbance depends especially on the nature and size of the absorbent. Approximated equations which relates te disturbance and the distance to the absorbent in the case of thin disks have been drawn. The experimental comprobation has been carried out in two especial cases. In both cases the experimental results are in agreement with the calculated values from these equations. (Author)
Directory of Open Access Journals (Sweden)
Chao Yang
Full Text Available The energy available from the diet, which affects fat deposition in vivo, is a major factor in the expression of genes regulating fat deposition in the longissimus dorsi muscle. Providing high-energy diets to yaks might increase intramuscular fat deposition and fatty acid concentrations under a traditional grazing system in cold seasons. A total of fifteen adult castrated male yaks with an initial body weight 274.3 ± 3.14 kg were analyzed for intramuscular adipose deposition and fatty acid composition. The animals were divided into three groups and fed low-energy (LE: 5.5 MJ/kg, medium-energy (ME: 6.2 MJ/kg and high-energy (HE: 6.9 MJ/kg diets, respectively. All animals were fed ad libitum twice daily at 08:00-09:00 am and 17:00-18:00 pm and with free access to water for 74 days, including a 14-d period to adapt to the diets and the environment. Intramuscular fat (IMF content, fatty acid profile and mRNA levels of genes involved in fatty acid synthesis were determined. The energy levels of the diets significantly (P<0.05 affected the content of IMF, total SFA, total MUFA and total PUFA. C16:0, C18:0 and C18:1n9c account for a large proportion of total fatty acids. Relative expression of acetyl-CoA carboxylase (ACACA, fatty acid synthase (FASN, stearoyl-CoA desaturase (SCD, sterol regulatory element-binding protein-1c (SREBP-1c, peroxisome proliferator-activated receptor γ (PPARγ and fatty acid-binding protein 4 (FABP4 was greater in HE than in LE yaks (P<0.05. Moreover, ME yaks had higher (P<0.05 mRNA expression levels of PPARγ, ACACA, FASN, SCD and FABP4 than did the LE yaks. The results demonstrate that the higher energy level of the diets increased IMF deposition and fatty acid content as well as increased intramuscular lipogenic gene expression during the experimental period.
International Nuclear Information System (INIS)
Knuyt, G.K.; Callebaut, D.K.
1978-01-01
The equations defining the ion density in a non-quasineutral plasma (chasma) are derived for a number of particular cases from the general results obtained in paper 1. Explicit calculations are made for a fairly general class of boundaries: all tri-axial ellipsoids, including cylinders with elliptic cross-section and the plane parallel case. The results are very simple. When the ion production and the beam intensity are constant then the steady state ion space charge is also constant in space, it varies over less than 10% for the various geometries, it may exceed the beam density largely for comparatively high pressures (usually still less than about 10 -3 Torr), it is tabulated for a number of interesting cases and moreover it can be calculated precisely and easily by some simple formulae for which also approximations are elaborated. The total potential is U =-ax 2 -by 2 -cz 2 , a, b and c constants which can be calculated immediately from the space charge density and the geometry; the largest coefficient varies at most over a factor four for various geometries; it is tabulated for a number of interesting cases. (author)
Density functional theory of nuclei
International Nuclear Information System (INIS)
Terasaki, Jun
2008-01-01
The density functional theory of nuclei has come to draw attention of scientists in the field of nuclear structure because the theory is expected to provide reliable numerical data in wide range on the nuclear chart. This article is organized to present an overview of the theory to the people engaged in the theory of other fields as well as those people in the nuclear physics experiments. At first, the outline of the density functional theory widely used in the electronic systems (condensed matter, atoms, and molecules) was described starting from the Kohn-Sham equation derived on the variational principle. Then the theory used in the field of nuclear physics was presented. Hartree-Fock and Hartree-Fock-Bogolyubov approximation by using Skyrme interaction was explained. Comparison of the results of calculations and experiments of binding energies and ground state mean square charge radii of some magic number nuclei were shown. The similarity and dissimilarity between the two streams were summarized. Finally the activities of the international project of Universal Nuclear Energy Density Functional (UNEDF) which was started recently lead by US scientist was reported. This project is programmed for five years. One of the applications of the project is the calculation of the neutron capture cross section of nuclei on the r-process, which is absolutely necessary for the nucleosynthesis research. (S. Funahashi)
Dual chiral density wave in quark matter
International Nuclear Information System (INIS)
Tatsumi, Toshitaka
2002-01-01
We prove that quark matter is unstable for forming a dual chiral density wave above a critical density, within the Nambu-Jona-Lasinio model. Presence of a dual chiral density wave leads to a uniform ferromagnetism in quark matter. A similarity with the spin density wave theory in electron gas and the pion condensation theory is also pointed out. (author)
Density functionals in the laboratory frame
International Nuclear Information System (INIS)
Giraud, B. G.
2008-01-01
We compare several definitions of the density of a self-bound system, such as a nucleus, in relation with its center-of-mass zero-point motion. A trivial deconvolution relates the internal density to the density defined in the laboratory frame. This result is useful for the practical definition of density functionals
On VC-density over indiscernible sequences
Guingona, Vincent; Hill, Cameron Donnay
2011-01-01
In this paper, we study VC-density over indiscernible sequences (denoted VC_ind-density). We answer an open question in [1], showing that VC_ind-density is always integer valued. We also show that VC_ind-density and dp-rank coincide in the natural way.
Research of mechanism of density lock
International Nuclear Information System (INIS)
Wang Shengfei; Yan Changqi; Gu Haifeng
2010-01-01
Mechanism of density lock was analyzed according to the work conditions of density lock. The results showed that: the stratification with no disturbance satisfied the work conditions of density lock; fluids between the stratification were not mixed at the condition of connected to each other; the density lock can be open automatically by controlled the pressure balance at the stratification. When disturbance existed, the stratification might be broken and mass would be transferred by convection. The stability of stratification can be enhanced by put the special structure in density lock to ensure the normal work of density lock. At last, the minimum of heat loss in density lock was also analyzed. (authors)
Wu, Yongzhen; Zhu, Weihong
2013-03-07
The high performance and low cost of dye-sensitized solar cells (DSSCs) have drawn great interest from both academic and industrial circles. The research on exploring novel efficient sensitizers, especially on inexpensive metal-free pure organic dyes, has never been suspended. The donor-π bridge-acceptor (D-π-A) configuration is mainstream in the design of organic sensitizers due to its convenient modulation of the intramolecular charge-transfer nature. Recently, it has been found that incorporation of additional electron-withdrawing units (such as benzothiadiazole, benzotriazole, quinoxaline, phthalimide, diketopyrrolopyrrole, thienopyrazine, thiazole, triazine, cyanovinyl, cyano- and fluoro-substituted phenyl) into the π bridge as internal acceptors, termed the D-A-π-A configuration, displays several advantages such as tuning of the molecular energy levels, red-shift of the charge-transfer absorption band, and distinct improvement of photovoltaic performance and stability. We apply the D-A-π-A concept broadly to the organic sensitizers containing additional electron-withdrawing units between electron donors and acceptors. This review is projected to summarize the category of pure organic sensitizers on the basis of the D-A-π-A feature. By comparing the structure-property relationship of typical photovoltaic D-A-π-A dyes, the important guidelines in the design of such materials are highlighted.
International Nuclear Information System (INIS)
Yu, Shanshan; Drouin, Brian J.; Miller, Charles E.
2014-01-01
We have updated the isotopically invariant Dunham fit of O 2 with newly reported literature transitions to derive (1) the energy levels, partition sums, band-by-band molecular constants, and RKR potentials for the X 3 Σ g − , a 1 Δ g , and b 1 Σ g + states of the six O 2 isotopologues: 16 O 16 O, 16 O 17 O, 16 O 18 O, 17 O 17 O, 17 O 18 O, and 18 O 18 O; (2) Franck-Condon factors for their a 1 Δ g −X 3 Σ g − , b 1 Σ g + −X 3 Σ g − , and a 1 Δ g −b 1 Σ g + band systems. This new spectroscopic parameterization characterizes all known transitions within and between the X 3 Σ g − , a 1 Δ g , and b 1 Σ g + states within experimental uncertainty and can be used for accurate predictions of as yet unmeasured transitions. All of these results are necessary to provide a consistent linelist of all transitions which will be reported in a followup paper
Corrections to O(α7(lnα)mc2) fine-structure splittings and O(α6(lnα)mc2) energy levels in helium
International Nuclear Information System (INIS)
Zhang, T.
1996-01-01
Fully relativistic formulas for the energy-level shifts arising from no-pair exchange diagrams of two transverse photons plus an arbitrary number of Coulomb photons are derived in closed form within the external potential Bethe-Salpeter formalism. O(α 7 (lnα)mc 2 ) corrections to the fine-structure splittings of helium are obtained and expressed in terms of expectation values of nonrelativistic operators. O(α 7 mc 2 ) operators from exchange diagrams are found in nonrelativistic approximation. O(α 6 m 2 c 2 /M) nucleus-electron operators contributing to the fine-structure splittings are derived. Nonrelativistic operators of O(α 6 mc 2 ) corrections to the triplet levels of helium are presented. Nonrelativistic operators of O(α 6 (lnα)mc 2 ) corrections to the helium singlet levels and to positronium S levels are derived. O(α 6 m 2 c 2 /M) hydrogen and O(α 6 mc 2 ) positronium P levels, and O(α 6 (lnα)mc 2 ) corrections of first order to positronium S levels, are calculated using the derived operators for helium, in agreement with those obtained previously by others, except for one term in corrections to positronium P levels. In addition, the O(α 6 mc 2 ) Dirac energies for hydrogenic non-S levels are exactly reproduced in a perturbative calculation. copyright 1996 The American Physical Society
Lamot, D M; Sapkota, D; Wijtten, P J A; van den Anker, I; Heetkamp, M J W; Kemp, B; van den Brand, H
2017-07-01
This study aimed to determine effects of diet density on growth performance, energy balance, and nitrogen (N) balance characteristics of broiler chickens during the first wk of life. Effects of diet density were studied using a dose-response design consisting of 5 dietary fat levels (3.5, 7.0, 10.5, 14.0, and 17.5%). The relative difference in dietary energy level was used to increase amino acid levels, mineral levels, and the premix inclusion level at the same ratio. Chickens were housed in open-circuit climate respiration chambers from d 0 to 7 after hatch. Body weight was measured on d 0 and 7, whereas feed intake was determined daily. For calculation of energy balances, O2 and CO2 exchange were measured continuously and all excreta from d 0 to 7 was collected and analyzed at d 7. Average daily gain (ADG) and average daily feed intake (ADFI) decreased linearly (P = 0.047 and P density. Gross energy (GE) intake and metabolizable energy (ME) intake were not affected by diet density, but the ratio between ME and GE intake decreased linearly with increasing diet density (P = 0.006). Fat, N, and GE efficiencies (expressed as gain per unit of nutrient intake), heat production, and respiratory exchange ratio (CO2 to O2 ratio) decreased linearly (P density increased. Energy retention, N intake, and N retention were not affected by diet density. We conclude that a higher diet density in the first wk of life of broiler chickens did not affect protein and fat retention, whereas the ME to GE ratio decreased linearly with increased diet density. This suggests that diet density appears to affect digestibility rather than utilization of nutrients. © 2017 Poultry Science Association Inc.
Minimal nuclear energy density functional
Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; Perez, Rodrigo Navarro; Schunck, Nicolas
2018-04-01
We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ɛr=0.022 fm and a standard deviation σr=0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body (NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.
Leptin and bone mineral density
DEFF Research Database (Denmark)
Morberg, Cathrine M.; Tetens, Inge; Black, Eva
2003-01-01
Leptin has been suggested to decrease bone mineral density (BMD). This observational analysis explored the relationship between serum leptin and BMD in 327 nonobese men (controls) (body mass index 26.1 +/- 3.7 kg/m(2), age 49.9 +/- 6.0 yr) and 285 juvenile obese men (body mass index 35.9 +/- 5.9 kg...... males, but it also stresses the fact that the strong covariation between the examined variables is a shortcoming of the cross-sectional design....
Bounded Densities and Their Derivatives
DEFF Research Database (Denmark)
Kozine, Igor; Krymsky, V.
2009-01-01
This paper describes how one can compute interval-valued statistical measures given limited information about the underlying distribution. The particular focus is on a bounded derivative of a probability density function and its combination with other available statistical evidence for computing ...... quantities of interest. To be able to utilise the evidence about the derivative it is suggested to adapt the ‘conventional’ problem statement to variational calculus and the way to do so is demonstrated. A number of examples are given throughout the paper....
Equilibrium problems for Raney densities
Forrester, Peter J.; Liu, Dang-Zheng; Zinn-Justin, Paul
2015-07-01
The Raney numbers are a class of combinatorial numbers generalising the Fuss-Catalan numbers. They are indexed by a pair of positive real numbers (p, r) with p > 1 and 0 0 and similarly use both methods to identify the equilibrium problem for (p, r) = (θ/q + 1, 1/q), θ > 0 and q \\in Z+ . The Wiener-Hopf method is used to extend the latter to parameters (p, r) = (θ/q + 1, m + 1/q) for m a non-negative integer, and also to identify the equilibrium problem for a family of densities with moments given by certain binomial coefficients.
High density fuel storage rack
International Nuclear Information System (INIS)
Zezza, L.J.
1980-01-01
High storage density for spent nuclear fuel assemblies in a pool achieved by positioning fuel storage cells of high thermal neutron absorption materials in an upright configuration in a rack. The rack holds the cells at required pitch. Each cell carries an internal fuel assembly support, and most cells are vertically movable in the rack so that they rest on the pool bottom. Pool water circulation through the cells and around the fuel assemblies is permitted by circulation openings at the top and bottom of the cells above and below the fuel assemblies
Origin of cosmological density fluctuations
International Nuclear Information System (INIS)
Carr, B.J.
1984-11-01
The density fluctuations required to explain the large-scale cosmological structure may have arisen spontaneously as a result of a phase transition in the early Universe. There are several ways in which such fluctuations may have ben produced, and they could have a variety of spectra, so one should not necessarily expect all features of the large-scale structure to derive from a simple power law spectrum. Some features may even result from astrophysical amplification mechanisms rather than gravitational instability. 128 references
International Nuclear Information System (INIS)
Schweer, H.B.
1983-11-01
In this work investigations are described to measure the flux density of sputtered iron atoms by means of laser induced fluorescence. In a laboratory experiment an iron target (stainless steel 316, Inconel 600), was bombarded with 10 keV Ar + and 2.5 keV H + and the population distribution of the energy levels of the ground state a 5 D and the metastable state a 5 F was measured. In the plasma wall region in the ISX-B tokamak at the Oak Ridge National Laboratory (USA) neutral iron atoms were measured the first time by laser induced fluorescence. A detection limit of 10 6 atoms/cm 3 was found and sputtered iron atoms were observed in the first 15 ms of the discharge. (orig./BRB)
Lectures on light nonlinear and quantum optics using the density matrix
Rand, Stephen C.
2016-01-01
This book bridges the gap between introductory quantum mechanics and the research front of modern optics and scientific fields that make use of light. While suitable as a reference for the specialist in quantum optics, it also targets non-specialists from other disciplines who need to understand light and its uses in research. It introduces a single analytic tool, the density matrix, to analyze complex optical phenomena encountered in traditional as well as cross-disciplinary research. It moves swiftly in a tight sequence from elementary to sophisticated topics in quantum optics, including optical tweezers, laser cooling, coherent population transfer, optical magnetism, electromagnetically induced transparency, squeezed light, and cavity quantum electrodynamics. A systematic approach starts with the simplest systems—stationary two-level atoms—then introduces atomic motion, adds more energy levels, and moves on to discuss first-, second-, and third-order coherence effects that are the basis for analyzing n...
Corrections to the density-functional theory electronic spectrum: Copper phthalocyanine
DEFF Research Database (Denmark)
Vazquez, Hector; Jelinek, P.; Brandbyge, Mads
2009-01-01
A method for improving the electronic spectrum of standard Density-Functional Theory (DFT) calculations (i.e., LDA or GGA approximations) is presented, and its application is discussed for the case of the copper phthalocyanine (CuPc) molecule. The method is based on a treatment of exchange...... and correlation in a many-body Hamiltonian, and it leads to easy-to-evaluate corrections to the DFT eigenvalues. Self-interaction is largely corrected, so that the modified energy levels do not suffer from spurious crossings, as often encountered for CuPc in DFT, and they remedy the standard underestimation...... or semiempirical functionals for molecular levels, it can be easily applied to any local-orbital DFT approach, improving on several important limitations of standard DFT methods....
Finite density aspects of leptogenesis
International Nuclear Information System (INIS)
Hohenegger, Andreas
2010-01-01
Leptogenesis takes place in the early universe at high temperatures and densities and a deviation from equilibrium in the decay of heavy Majorana neutrinos is a fundamental requirement for the generation of the asymmetry. The equations, commonly used for its description, are largely based on classical Boltzmann equations (BEs) while the source of CP-violation is a quantum interference phenomenon. In view of this clash, it is desirable to study such processes in terms of non-equilibrium quantum field theory. On the other hand, it is simpler to solve BEs rather than the corresponding quantum field theoretical ones. Therefore, we derive modified BEs from first principles in the Kadanoff-Baym (KB) formalism. The results, found for a simple toy model, can be applied to popular phenomenological scenarios by analogy. This approach uncovers structural differences of the corrected equations and leads to different results for the form of the finite density contributions to the CP-violating parameter. In the case of degenerate heavy neutrino masses, corresponding to the popular scenario of resonant leptogenesis, it allows to explicitly distinguish between regimes where BEs are applicable or inapplicable.
Density fluctuations in extended inflation
International Nuclear Information System (INIS)
Guth, A.H.; Jain, B.
1992-01-01
We estimate the density perturbation spectrum δρ/ρ in the extended inflationary model, in which the scalar curvature is coupled to a Brans-Dicke field. Through a conformal transformation and a redefinition of the Brans-Dicke field, the action of the theory is cast into a form with no coupling to the scalar curvature and a canonical kinetic term for the redefined field. Following Kolb, Salopek, and Turner, we calculate δρ/ρ using the transformed action and the standard recipe developed for conventional inflation. This recipe is expected to give a valid order-of-magnitude estimate, but a precise calculation would require a more careful treatment of several aspects of the problem. The spectrum behaves as a positive power of the wavelength, a feature that might be useful in building models to account for the observed large-scale structure of the universe. Our result for the overall amplitude of density perturbations differs slightly from that of the previous authors, and the reasons for these differences are discussed. We also point out that the conformal transformation method can be applied to a wider class of generalized gravity theories
The Nutrient Density of Snacks
Directory of Open Access Journals (Sweden)
Julie Hess BA
2017-03-01
Full Text Available Background: Although Americans receive almost a quarter of their daily energy from snacks, snacking remains a poorly defined and understood eating occasion. However, there is little dietary guidance about choosing snacks. Families, clinicians, and researchers need a comprehensive approach to assessing their nutritional value. Objective: To quantify and compare the nutrient density of commonly consumed snacks by their overall nutrient profiles using the Nutrient-Rich Foods (NRF Index 10.3. Methods: NRF Index scores were calculated for the top 3 selling products (based on 2014 market research data in different snack categories. These NRF scores were averaged to provide an overall nutrient-density score for each category. Results: Based on NRF scores, yogurt (55.3, milk (52.5, and fruit (30.1 emerged as the most nutrient-dense snacks. Ice cream (−4.4, pies and cakes (−11.1, and carbonated soft drinks (−17.2 emerged as the most nutrient-poor snacks. Conclusions: The NRF Index is a useful tool for assessing the overall nutritional value of snacks based on nutrients to limit and nutrients to encourage.
Density functional theory: Foundations reviewed
Energy Technology Data Exchange (ETDEWEB)
Kryachko, Eugene S., E-mail: eugene.kryachko@ulg.ac.be [Bogolyubov Institute for Theoretical Physics, Kiev, 03680 (Ukraine); Ludeña, Eduardo V., E-mail: popluabe@yahoo.es [Centro de Química, Instituto Venezolano de Investigaciones Científicas, IVIC, Apartado 21827, Caracas 1020-A (Venezuela, Bolivarian Republic of); Prometheus Program, Senescyt (Ecuador); Grupo Ecuatoriano para el Estudio Experimental y Teórico de Nanosistemas, GETNano, USFQ, N104-E, Quito (Ecuador); Escuela Politécnica Superior del Litoral, ESPOL, Guayaquil (Ecuador)
2014-11-10
Guided by the above motto (quotation), we review a broad range of issues lying at the foundations of Density Functional Theory, DFT, a theory which is currently omnipresent in our everyday computational study of atoms and molecules, solids and nano-materials, and which lies at the heart of modern many-body computational technologies. The key goal is to demonstrate that there are definitely the ways to improve DFT. We start by considering DFT in the larger context provided by reduced density matrix theory (RDMT) and natural orbital functional theory (NOFT), and examine the implications that N-representability conditions on the second-order reduced density matrix (2-RDM) have not only on RDMT and NOFT but, also, by extension, on the functionals of DFT. This examination is timely in view of the fact that necessary and sufficient N-representability conditions on the 2-RDM have recently been attained. In the second place, we review some problems appearing in the original formulation of the first Hohenberg–Kohn theorem which is still a subject of some controversy. In this vein we recall Lieb’s comment on this proof and the extension to this proof given by Pino et al. (2009), and in this context examine the conditions that must be met in order that the one-to-one correspondence between ground-state densities and external potentials remains valid for finite subspaces (namely, the subspaces where all Kohn–Sham solutions are obtained in practical applications). We also consider the issue of whether the Kohn–Sham equations can be derived from basic principles or whether they are postulated. We examine this problem in relation to ab initio DFT. The possibility of postulating arbitrary Kohn–Sham-type equations, where the effective potential is by definition some arbitrary mixture of local and non-local terms, is discussed. We also deal with the issue of whether there exists a universal functional, or whether one should advocate instead the construction of problem
Asymptotic density and the Ershov hierarchy
Downey, Rod; Jockusch, Carl; McNicholl, Timothy H.; Schupp, Paul
2013-01-01
We classify the asymptotic densities of the $\\Delta^0_2$ sets according to their level in the Ershov hierarchy. In particular, it is shown that for $n \\geq 2$, a real $r \\in [0,1]$ is the density of an $n$-c.e.\\ set if and only if it is a difference of left-$\\Pi_2^0$ reals. Further, we show that the densities of the $\\omega$-c.e.\\ sets coincide with the densities of the $\\Delta^0_2$ sets, and there are $\\omega$-c.e.\\ sets whose density is not the density of an $n$-c.e. set for any $n \\in \\ome...
International Nuclear Information System (INIS)
Okuducu, S.; Sarac, H.; Akti, N. N.; Boeluekdemir, M. H.; Tel, E.
2010-01-01
In this study the nuclear energy level density based on nuclear collective excitation mechanism has been identified in terms of the low-lying collective level bands at near the neutron binding energy. Nuclear level density parameters of some light deformed medical radionuclides used widely in medical applications have been calculated by using different collective excitation modes of observed nuclear spectra. The calculated parameters have been used successfully in estimation of the neutron-capture cross section basic data for the production of new medical radionuclides. The investigated radionuclides have been considered in the region of mass number 40< A< 100. The method used in the present work assumes equidistance spacing of the collective coupled state bands of the interest radionuclides. The present calculated results have been compared with the compiled values from the literatures for s-wave neutron resonance data.
Imaging Breast Density: Established and Emerging Modalities
Directory of Open Access Journals (Sweden)
Jeon-Hor Chen
2015-12-01
Full Text Available Mammographic density has been proven as an independent risk factor for breast cancer. Women with dense breast tissue visible on a mammogram have a much higher cancer risk than women with little density. A great research effort has been devoted to incorporate breast density into risk prediction models to better estimate each individual’s cancer risk. In recent years, the passage of breast density notification legislation in many states in USA requires that every mammography report should provide information regarding the patient’s breast density. Accurate definition and measurement of breast density are thus important, which may allow all the potential clinical applications of breast density to be implemented. Because the two-dimensional mammography-based measurement is subject to tissue overlapping and thus not able to provide volumetric information, there is an urgent need to develop reliable quantitative measurements of breast density. Various new imaging technologies are being developed. Among these new modalities, volumetric mammographic density methods and three-dimensional magnetic resonance imaging are the most well studied. Besides, emerging modalities, including different x-ray–based, optical imaging, and ultrasound-based methods, have also been investigated. All these modalities may either overcome some fundamental problems related to mammographic density or provide additional density and/or compositional information. The present review article aimed to summarize the current established and emerging imaging techniques for the measurement of breast density and the evidence of the clinical use of these density methods from the literature.
Energy Technology Data Exchange (ETDEWEB)
Huang, Xinchuan, E-mail: Xinchuan.Huang-1@nasa.gov, E-mail: Timothy.J.Lee@nasa.gov [SETI Institute, 189 Bernardo Ave, Suite No. 100, Mountain View, California 94043 (United States); Schwenke, David W., E-mail: David.W.Schwenke@nasa.gov [MS T27B-1, NAS Facility, NASA Ames Research Center, Moffett Field, California 94035 (United States); Lee, Timothy J., E-mail: Xinchuan.Huang-1@nasa.gov, E-mail: Timothy.J.Lee@nasa.gov [MS 245-1, Space Science and Astrobiology Division, NASA Ames Research Center, Moffett Field, California 94035 (United States)
2014-03-21
A purely ab initio potential energy surface (PES) was refined with selected {sup 32}S{sup 16}O{sub 2} HITRAN data. Compared to HITRAN, the root-mean-squares error (σ{sub RMS}) for all J = 0–80 rovibrational energy levels computed on the refined PES (denoted Ames-1) is 0.013 cm{sup −1}. Combined with a CCSD(T)/aug-cc-pV(Q+d)Z dipole moment surface (DMS), an infrared (IR) line list (denoted Ames-296K) has been computed at 296 K and covers up to 8000 cm{sup −1}. Compared to the HITRAN and CDMS databases, the intensity agreement for most vibrational bands is better than 85%–90%. Our predictions for {sup 34}S{sup 16}O{sub 2} band origins, higher energy {sup 32}S{sup 16}O{sub 2} band origins and missing {sup 32}S{sup 16}O{sub 2} IR bands have been verified by most recent experiments and available HITRAN data. We conclude that the Ames-1 PES is able to predict {sup 32/34}S{sup 16}O{sub 2} band origins below 5500 cm{sup −1} with 0.01–0.03 cm{sup −1} uncertainties, and the Ames-296K line list provides continuous, reliable and accurate IR simulations. The K{sub a}-dependence of both line position and line intensity errors is discussed. The line list will greatly facilitate SO{sub 2} IR spectral experimental analysis, as well as elimination of SO{sub 2} lines in high-resolution astronomical observations.
International Nuclear Information System (INIS)
Murray, M.
1988-02-01
The transverse energy, E/sub tau/ spectra for O 16 and S 32 incident for various elements at 200 GeVnucleon are shown. The target and projectile dependencies of the data are discussed. The energy density achieved is estimated. For O 16 on Tungsten the multiplicity spectrum is also presented as well as the pseudorapidity spectra as a function of the transverse energy. The multiplicity cross section dσdN as measured in the backward hemisphere (0.9 < /eta/ < 2.9/ is found to be very similar in shape to the transverse energy distribution dσdE/tau/ reflecting the particular geometry of nucleus nucleus nucleus collisions. The dependence on the atomic mass of the target, A/sub tau/ and projectile A/sub p/ is not what one would expect from naive considerations
Review of non-nuclear density gauges as possible replacements for ITD's nuclear density gauges.
2015-01-01
This report examines the possibility of replacing nuclear density gauges (NDGs) with non-nuclear density gauges (NNDGs) to : measure density of hot mix asphalt (HMA) and unbound pavement layers in the field. The research team evaluated the : effectiv...
On thermodynamic limits of entropy densities
Moriya, H; Van Enter, A
We give some sufficient conditions which guarantee that the entropy density in the thermodynamic limit is equal to the thermodynamic limit of the entropy densities of finite-volume (local) Gibbs states.
Density structures inside the plasmasphere: Cluster observations
DEFF Research Database (Denmark)
Darrouzet, F.; Decreau, P.M.E.; De Keyser, J.
2004-01-01
The electron density profiles derived from the EFW and WHISPER instruments on board the four Cluster spacecraft reveal density structures inside the plasmasphere and at its outer boundary, the plasmapause. We have conducted a statistical study to characterize these density structures. We focus...... on the plasmasphere crossing on I I April 2002, during which Cluster observed several density irregularities inside the plasmasphere, as well as a plasmaspheric plume. We derive the density gradient vectors from simultaneous density measurements by the four spacecraft. We also determine the normal velocity...... of the boundaries of the plume and of the irregularities from the time delays between those boundaries in the four individual density profiles, assuming they are planar. These new observations yield novel insights about the occurrence of density irregularities, their geometry and their dynamics. These in...
Global Population Density Grid Time Series Estimates
National Aeronautics and Space Administration — Global Population Density Grid Time Series Estimates provide a back-cast time series of population density grids based on the year 2000 population grid from SEDAC's...
VT Building Density - from E911 ESITE
Vermont Center for Geographic Information — (Link to Metadata) The FacilitiesBuildings_DENSITY data set depicts density for defined types of structures in Vermont. The vector source used to generate the...
THE INFLUENCE OF DIFFERENT STOCKING DENSITIES AND ...
African Journals Online (AJOL)
Helet Lambrechts
stocking densities will have a possible inhibitory effect on the establishment of ... Keywords: Ostriches, stocking density, male:female ratio, reproductive performance .... Eggs were stored upright with the air cell in the uppermost position.
Ethnicity, Soybean Consumption, and Mammographic Densities
National Research Council Canada - National Science Library
Maskarinec, Gertraud
1997-01-01
The purpose of this study is to determine whether mammographic density patterns differ by ethnic background and to explore the possible association of a soy rich diet with mammographic density patterns...
Limitations in accurate electron density studies
International Nuclear Information System (INIS)
Wal, R. van der.
1982-01-01
Most of X-ray diffraction studies are devoted to the determination of three-dimensional crystal structures from the electron density distributions. In these cases the density distributions are described by the independent atom model (IAM model), which consists of a superposition of spherically averaged free atom densities, which are smeared by thermal vibrations. During the last few decades studies have been made into the deviations of the density distribution from the IAM model, which enables a study of the chemical binding between atoms. The total density can be described using pseudo-atom multipole models as a superposition of aspherical pseudo-atom densities. A fundamental problem is that the separation of this density into an IAM and a deformation part is not unique. This thesis considers the problem and besides deformation densities from X-ray diffraction also considers the corresponding deformation electric field and deformation potential. (C.F.)
Anisotropic dynamic mass density for fluidsolid composites
Wu, Ying; Mei, Jun; Sheng, Ping
2012-01-01
By taking the low frequency limit of multiple-scattering theory, we obtain the dynamic effective mass density of fluidsolid composites with a two-dimensional rectangular lattice structure. The anisotropic mass density can be described by an angle
Density functional theory and parallel processing
International Nuclear Information System (INIS)
Ward, R.C.; Geist, G.A.; Butler, W.H.
1987-01-01
The authors demonstrate a method for obtaining the ground state energies and charge densities of a system of atoms described within density functional theory using simulated annealing on a parallel computer
On the origin of plasma density blobs
Energy Technology Data Exchange (ETDEWEB)
Krasheninnikov, S.I., E-mail: skrash@mae.ucsd.edu
2016-12-01
By keeping nonlinear Boltzmann factor in electron density dependence on electrostatic potential it is demonstrated that large plasma density blobs, often seen in experiment inside separatrix, can exist within the framework of drift wave dynamics. The estimates show that plasma density in a blob can be ∼3 times higher that average plasma density, but hardly exceeds this limit, which in a ball park is in agreement with experimental observations.
The dynamics of variable-density turbulence
International Nuclear Information System (INIS)
Sandoval, D.L.
1995-11-01
The dynamics of variable-density turbulent fluids are studied by direct numerical simulation. The flow is incompressible so that acoustic waves are decoupled from the problem, and implying that density is not a thermodynamic variable. Changes in density occur due to molecular mixing. The velocity field, is in general, divergent. A pseudo-spectral numerical technique is used to solve the equations of motion. Three-dimensional simulations are performed using a grid size of 128 3 grid points. Two types of problems are studied: (1) the decay of isotropic, variable-density turbulence, and (2) buoyancy-generated turbulence in a fluid with large density fluctuations. In the case of isotropic, variable-density turbulence, the overall statistical decay behavior, for the cases studied, is relatively unaffected by the presence of density variations when the initial density and velocity fields are statistically independent. The results for this case are in quantitative agreement with previous numerical and laboratory results. In this case, the initial density field has a bimodal probability density function (pdf) which evolves in time towards a Gaussian distribution. The pdf of the density field is symmetric about its mean value throughout its evolution. If the initial velocity and density fields are statistically dependent, however, the decay process is significantly affected by the density fluctuations. For the case of buoyancy-generated turbulence, variable-density departures from the Boussinesq approximation are studied. The results of the buoyancy-generated turbulence are compared with variable-density model predictions. Both a one-point (engineering) model and a two-point (spectral) model are tested against the numerical data. Some deficiencies in these variable-density models are discussed and modifications are suggested
36 CFR 910.12 - Development density.
2010-07-01
... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Development density. 910.12... DEVELOPMENT AREA Urban Planning and Design Concerns § 910.12 Development density. (a) Land would be developed... density within the building envelope delineated by specific height restrictions, but shall also establish...
Interactive density maps for moving objects
Scheepens, R.J.; Willems, C.M.E.; Wetering, van de H.M.M.; Wijk, van J.J.
2012-01-01
Trajectories capture the movements of objects with multiple attributes. A visualization method called density maps shows trends in these trajectories. Density map creation involves aggregating smoothed trajectories in a density field and then visualizing the field. Users can explore attributes along
Statistical density modification using local pattern matching
International Nuclear Information System (INIS)
Terwilliger, Thomas C.
2003-01-01
Statistical density modification can make use of local patterns of density found in protein structures to improve crystallographic phases. A method for improving crystallographic phases is presented that is based on the preferential occurrence of certain local patterns of electron density in macromolecular electron-density maps. The method focuses on the relationship between the value of electron density at a point in the map and the pattern of density surrounding this point. Patterns of density that can be superimposed by rotation about the central point are considered equivalent. Standard templates are created from experimental or model electron-density maps by clustering and averaging local patterns of electron density. The clustering is based on correlation coefficients after rotation to maximize the correlation. Experimental or model maps are also used to create histograms relating the value of electron density at the central point to the correlation coefficient of the density surrounding this point with each member of the set of standard patterns. These histograms are then used to estimate the electron density at each point in a new experimental electron-density map using the pattern of electron density at points surrounding that point and the correlation coefficient of this density to each of the set of standard templates, again after rotation to maximize the correlation. The method is strengthened by excluding any information from the point in question from both the templates and the local pattern of density in the calculation. A function based on the origin of the Patterson function is used to remove information about the electron density at the point in question from nearby electron density. This allows an estimation of the electron density at each point in a map, using only information from other points in the process. The resulting estimates of electron density are shown to have errors that are nearly independent of the errors in the original map using
Conditional Density Approximations with Mixtures of Polynomials
DEFF Research Database (Denmark)
Varando, Gherardo; López-Cruz, Pedro L.; Nielsen, Thomas Dyhre
2015-01-01
Mixtures of polynomials (MoPs) are a non-parametric density estimation technique especially designed for hybrid Bayesian networks with continuous and discrete variables. Algorithms to learn one- and multi-dimensional (marginal) MoPs from data have recently been proposed. In this paper we introduce...... two methods for learning MoP approximations of conditional densities from data. Both approaches are based on learning MoP approximations of the joint density and the marginal density of the conditioning variables, but they differ as to how the MoP approximation of the quotient of the two densities...
Experimental level densities of atomic nuclei
Energy Technology Data Exchange (ETDEWEB)
Guttormsen, M.; Bello Garrote, F.L.; Eriksen, T.K.; Giacoppo, F.; Goergen, A.; Hagen, T.W.; Klintefjord, M.; Larsen, A.C.; Nyhus, H.T.; Renstroem, T.; Rose, S.J.; Sahin, E.; Siem, S.; Tornyi, T.G.; Tveten, G.M. [University of Oslo, Department of Physics, Oslo (Norway); Aiche, M.; Ducasse, Q.; Jurado, B. [University of Bordeaux, CENBG, CNRS/IN2P3, B.P. 120, Gradignan (France); Bernstein, L.A.; Bleuel, D.L. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Byun, Y.; Voinov, A. [Ohio University, Department of Physics and Astronomy, Athens, Ohio (United States); Gunsing, F. [CEA Saclay, DSM/Irfu/SPhN, Cedex (France); Lebois, L.; Leniau, B.; Wilson, J. [Institut de Physique Nucleaire d' Orsay, Orsay Cedex (France); Wiedeking, M. [iThemba LABS, P.O. Box 722, Somerset West (South Africa)
2015-12-15
It is almost 80 years since Hans Bethe described the level density as a non-interacting gas of protons and neutrons. In all these years, experimental data were interpreted within this picture of a fermionic gas. However, the renewed interest of measuring level density using various techniques calls for a revision of this description. In particular, the wealth of nuclear level densities measured with the Oslo method favors the constant-temperature level density over the Fermi-gas picture. From the basis of experimental data, we demonstrate that nuclei exhibit a constant-temperature level density behavior for all mass regions and at least up to the neutron threshold. (orig.)
Spore, Tyler J; Montgomery, Sean P; Titgemeyer, Evan C; Hanzlicek, Gregg A; Vahl, Chris I; Nagaraja, Tiruvoor G; Cavalli, Kevin T; Hollenbeck, William R; Wahl, Ross A; Blasi, Dale A
2018-04-14
Effects of dietary energy level and intake of corn by-product-based diets on antibody production, acute phase protein response, stress, and immunocompetency of healthy and morbid newly received growing cattle were evaluated. Four dietary treatments were formulated to supply 0.99, 1.10, 1.21, and 1.32 Mcal NEg/ kg DM and were offered at 100%, 95%, 90%, and 85% of ad libitum based on 0.99/100 treatment intake, respectively. Thirty-two pens were utilized with approximately 12 animals/pen. Four animals from each pen (32/dietary treatment) were randomly selected and used to serve as a subset to monitor immune function and acute phase proteins following a split-plot design. In addition, two animals were randomly and independently selected from each pen (16/dietary treatment) and used to measure fecal cortisol metabolite. Additionally, animals removed from the pen one (M1), two (M2), or three (M3) times and classified as morbid were bled in conjunction with a healthy control (H) removed at the same time and the serum analyzed for the same parameters. A quadratic response to time (P bovine viral diarrhea type 1 (BVD-I) and infectious bovine rhinotracheitis (IBR; P levels by day 27. Titer levels for BVD-I and IBR were lowest on arrival, higher on day 14, and significantly higher on day 27. Titers for bovine viral diarrhea type 2 (BVD-II) responded linearly (P levels on arrival and highest levels on day 27. Haptoglobin was elevated in morbid animals compared to healthy pen mates (P levels for BVD-I and IBR were also higher in healthy animals compared to animals pulled for morbidity (P energy receiving diets based on fermentable fiber from by-products can be fed to newly received growing cattle without negative effects on antibody production toward vaccines, inflammation, or overall stress. In addition, haptoglobin concentrations and titer levels for BVD-I and IBR viruses are higher in healthy animals compared to sick animals.