X. cap alpha. method with pseudopotentials

Energy Technology Data Exchange (ETDEWEB)

Szasz, L. (Fordham Univ., New York (USA). Dept. of Physics)

1980-06-01

The X..cap alpha.. method for an atom or molecule is transformed into an all-electron pseudopotential formalism. The equations of the X..cap alpha.. method are exactly transformed into pseudo-orbital equations and the resulting pseudopotentials are replaced by simple density-dependent potentials derived from Thomas-Fermi model. It is shown that the new formalism satisfies the virial theorem. As the first application, it is shown that the model explains the shell-structure of atoms by the property that the pseudo-orbitals for the (ns), (np), (nd), etc. electrons are, in a very good approximation, the solutions of the same equation and have their maxima at the same point thereby creating the peaks in the radial density characterizing the shell structure.

Use of pseudopotentials in atom-atom (or molecule) collisions

International Nuclear Information System (INIS)

Pascale, J.

1985-09-01

Knowledge of interactions between ions, atoms or molecules is fundamental for interpretating or predicting collisional processes which may occur under various circumstances. The aim of this paper is to demonstrate the usefulness of using semiempirical effective interactions (more particularly, emphasis will be put on the pseudopotential approach) in the study of atom-atom (or molecule) collisions. We would like to show that if the semiempirical effective interactions are carefully defined, their use in molecular-structure calculations and in collision problems can give quite accurate results. We will limit our examples to one-electron systems. We consider the M-atom-He systems as a first example. For these systems, recent molecular-structure calculations have been carried out using an 1-dependent semiempirical pseudopotential approach and they have been tested against numerous experimental data in extensive calculations of cross sections for intra-and-inter-doublet transitions in the M-atom in collisions with He. Our second example will concern the M-H 2 systems, for which semiempirical pseudopotential molecular-structure calculations have been performed very recently using an one-electron two-center model. The results of these calculations are quite encouraging and we foresee the use of the pseudopotential approach in future studies of some reactive scattering processes

Forcing scheme in pseudopotential lattice Boltzmann model for multiphase flows.

Science.gov (United States)

Li, Q; Luo, K H; Li, X J

2012-07-01

The pseudopotential lattice Boltzmann (LB) model is a widely used multiphase model in the LB community. In this model, an interaction force, which is usually implemented via a forcing scheme, is employed to mimic the molecular interactions that cause phase segregation. The forcing scheme is therefore expected to play an important role in the pseudoepotential LB model. In this paper, we aim to address some key issues about forcing schemes in the pseudopotential LB model. First, theoretical and numerical analyses will be made for Shan-Chen's forcing scheme [Shan and Chen, Phys. Rev. E 47, 1815 (1993)] and the exact-difference-method forcing scheme [Kupershtokh et al., Comput. Math. Appl. 58, 965 (2009)]. The nature of these two schemes and their recovered macroscopic equations will be shown. Second, through a theoretical analysis, we will reveal the physics behind the phenomenon that different forcing schemes exhibit different performances in the pseudopotential LB model. Moreover, based on the analysis, we will present an improved forcing scheme and numerically demonstrate that the improved scheme can be treated as an alternative approach to achieving thermodynamic consistency in the pseudopotential LB model.

Phase stability of random brasses: pseudopotential theory revisited

International Nuclear Information System (INIS)

Rahman, S.M.M.

1987-06-01

We review the theoretical development concerning the phase stability of random brasses. The introductory discussion of the subject embraces the rules of metallurgy in general, but we emphasize on the roles of electron-per-atom ratio in the major bulk of our discussion. Starting from the so-called rigid-band model the discussion goes up to the recent higher-order pseudopotential theory. The theoretical refinements within the pseudopotential framework are discussed briefly. The stability criteria of the random phases are analysed both in the static lattice and dynamic lattice approximations. (author). 71 refs, figs and tabs

Relativity and pseudopotentials in the Hartree-Fock-Slater method

International Nuclear Information System (INIS)

Snijders, J.G.

1979-01-01

The methodological problems involved in electronic structure determinations of compounds containing heavy elements by the Hartree-Fock-Slater scheme are investigated. It is shown that the effect of the inner electrons can be simulated by a so called pseudopotential, so that only the valence electrons have to be treated explicitly which constitutes a considerable reduction of computation time. It is further shown that a pseudopotential calculation is able to achieve an accuracy that is comparable to the results of a calculation including the core. (Auth.)

Total energy calculations for structural phase transformations

International Nuclear Information System (INIS)

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

1990-01-01

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

Pseudopotential transformation of correlated-pair equations

International Nuclear Information System (INIS)

Szasz, L.; Brown, L.

1975-01-01

A pseudopotential transformation for correlated-pair equations is derived that yields solutions that are pseudowavefunctions, i.e., they do not have to be orthogonal to the core functions. The approximate solutions for the transformation will be much simpler to compute, but they do not involve a loss of accuracy

Calculation of radial couplings in the model-potential and pseudopotential approaches: The NaH quasimolecule

International Nuclear Information System (INIS)

Mo, O.; Riera, A.; Yaez, M.

1985-01-01

We present an extension of the analytical method of Macias and Riera to calculate radial couplings, to include model potentials or (local and nonlocal) pseudopotentials, in the Hamiltonian. As an illustration, energies, couplings, and momentum matrix elements are presented and discussed for the two-effective-electron NaH quasimolecule, as a stringent test case

Calculation of radial couplings in the model-potential and pseudopotential approaches: The NaH quasimolecule

Energy Technology Data Exchange (ETDEWEB)

Mo, O.; Riera, A.; Yaez, M.

1985-06-01

We present an extension of the analytical method of Macias and Riera to calculate radial couplings, to include model potentials or (local and nonlocal) pseudopotentials, in the Hamiltonian. As an illustration, energies, couplings, and momentum matrix elements are presented and discussed for the two-effective-electron NaH quasimolecule, as a stringent test case.

First-principle optimal local pseudopotentials construction via optimized effective potential method

International Nuclear Information System (INIS)

Mi, Wenhui; Zhang, Shoutao; Wang, Yanchao; Ma, Yanming; Miao, Maosheng

2016-01-01

The local pseudopotential (LPP) is an important component of orbital-free density functional theory, a promising large-scale simulation method that can maintain information on a material’s electron state. The LPP is usually extracted from solid-state density functional theory calculations, thereby it is difficult to assess its transferability to cases involving very different chemical environments. Here, we reveal a fundamental relation between the first-principles norm-conserving pseudopotential (NCPP) and the LPP. On the basis of this relationship, we demonstrate that the LPP can be constructed optimally from the NCPP for a large number of elements using the optimized effective potential method. Specially, our method provides a unified scheme for constructing and assessing the LPP within the framework of first-principles pseudopotentials. Our practice reveals that the existence of a valid LPP with high transferability may strongly depend on the element.

Empirical pseudo-potential studies on electronic structure

Indian Academy of Sciences (India)

Theoretical investigations of electronic structure of quantum dots is of current interest in nanophase materials. Empirical theories such as effective mass approximation, tight binding methods and empirical pseudo-potential method are capable of explaining the experimentally observed optical properties. We employ the ...

The PSML format and library for norm-conserving pseudopotential data curation and interoperability

Science.gov (United States)

García, Alberto; Verstraete, Matthieu J.; Pouillon, Yann; Junquera, Javier

2018-06-01

Norm-conserving pseudopotentials are used by a significant number of electronic-structure packages, but the practical differences among codes in the handling of the associated data hinder their interoperability and make it difficult to compare their results. At the same time, existing formats lack provenance data, which makes it difficult to track and document computational workflows. To address these problems, we first propose a file format (PSML) that maps the basic concepts of the norm-conserving pseudopotential domain in a flexible form and supports the inclusion of provenance information and other important metadata. Second, we provide a software library (libPSML) that can be used by electronic structure codes to transparently extract the information in the file and adapt it to their own data structures, or to create converters for other formats. Support for the new file format has been already implemented in several pseudopotential generator programs (including ATOM and ONCVPSP), and the library has been linked with SIESTA and ABINIT, allowing them to work with the same pseudopotential operator (with the same local part and fully non-local projectors) thus easing the comparison of their results for the structural and electronic properties, as shown for several example systems. This methodology can be easily transferred to any other package that uses norm-conserving pseudopotentials, and offers a proof-of-concept for a general approach to interoperability.

Impurities in semiconductors: total energy and infrared absorption calculations

International Nuclear Information System (INIS)

Yndurain, F.

1987-01-01

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

The ionic structure of liquid sodium obtained by numerical simulation from 'first principles' and ab initio 'norm-conserving' pseudopotentials

International Nuclear Information System (INIS)

Harchaoui, N; Hellal, S; Grosdidier, B; Gasser, J G

2008-01-01

The physical properties of disordered matter depend on the 'atomic structure' i.e. the arrangement of the atoms. This arrangement is described by the structure factor S (q) in reciprocal space and by the pair correlation function g(r) in real space. The structure factor is obtained experimentally while the numerical simulation enables us to obtain the pair correlation function. Liquid sodium is one of the elements the most studied and one can wonder about new scientific contribution appropriateness. The majority of theoretical calculations are compared with the experiment of Waseda. However two other posterior measurements have been published and give different results, in particular with regard to the height of the first peak of the structure factor. Three models of pseudopotential are considered to describe the electron-ion interaction. The first is a local pseudopotential with the alternative known as 'individual' of the model suggested by Fiolhais et al. The second model considered is that of Bachelet et al. This one, ab-initio and 'norm conserving', is non local. The last model is that proposed by Shaw known as 'first principles' and 'energy dependent'. Various static dielectric functions characteristic of the effects of exchange and correlation have been used and developed by Hellal et al. We calculated the form factors (pseudopotential in reciprocal space) and deduce the normalized energy-wave-number characteristic F N (q), the interatomic pair potential V eff (r), then the pair correlation function g(r) by molecular dynamics. The structure factor S(q) is obtained by Fourier transform and is compared with the experiment. Our calculations with the Bachelet and Shaw pseudopotentials are close to the last experiments of Greenfield et al. and of Huijben et al. Our results are discussed

Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids.

Science.gov (United States)

Del Rio, Beatriz G; Dieterich, Johannes M; Carter, Emily A

2017-08-08

The accuracy of local pseudopotentials (LPSs) is one of two major determinants of the fidelity of orbital-free density functional theory (OFDFT) simulations. We present a global optimization strategy for LPSs that enables OFDFT to reproduce solid and liquid properties obtained from Kohn-Sham DFT. Our optimization strategy can fit arbitrary properties from both solid and liquid phases, so the resulting globally optimized local pseudopotentials (goLPSs) can be used in solid and/or liquid-phase simulations depending on the fitting process. We show three test cases proving that we can (1) improve solid properties compared to our previous bulk-derived local pseudopotential generation scheme; (2) refine predicted liquid and solid properties by adding force matching data; and (3) generate a from-scratch, accurate goLPS from the local channel of a non-local pseudopotential. The proposed scheme therefore serves as a full and improved LPS construction protocol.

Investigation of optical effects in silicon quantum dots by using an empirical pseudopotential method

Energy Technology Data Exchange (ETDEWEB)

Ghoshal, S. K.; Sahar, M. R.; Rohani, M. S. [Universiti Teknologi Malaysia, Johor (Malaysia)

2011-02-15

A computer simulation using a pseudopotential approach has been carried out to investigate the band gap as a function of the size and the shape of small silicon (Si) dots having 3 to 44 atoms per dot with and without surface passivation. We used an empirical pseudo-potential Hamiltonian, a plane-wave basis expansion and a basic tetrahedral structure with undistorted local bonding configurations. In our simulation, the structures of the quantum dots were relaxed and optimized before and after passivation. We found that the gap increased more for an oxygenated surface than a hydrogenated one. Thus, both quantum confinement and surface passivation determined the optical and the electronic properties of Si quantum dots. Visible luminescence was probably due to radiative recombination of electrons and holes in the quantum-confined nanostructures. The effect of passivation of the surface dangling bonds by hydrogen and oxygen atoms and the role of surface states on the gap energy was also examined. We investigated the entire energy spectrum starting from the very low-lying ground state to the very high-lying excited states. The results for the sizes of the gap, the density of states, the oscillator strength and the absorption coefficient as functions of the size are presented. The importance of the confinement and the role of surface passivation on the optical effects are also discussed.

The structure and properties of vacancies in Si nano-crystals calculated by real space pseudopotential methods

International Nuclear Information System (INIS)

Beckman, S.P.; Chelikowsky, James R.

2007-01-01

The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy's electronic properties and energy of formation are directly related to the local symmetry of the vacancy site. The formation energy for vacancies and Frenkel pair are calculated. It is found that both defects have lower energy in smaller crystals. In a 2 nm nano-crystal the energy to form a Frenkel pair is 1.7 eV and the energy to form a vacancy is no larger than 2.3 eV. The energy barrier for vacancy diffusion is examined via a nudged elastic band algorithm

Analytic representation for first-principles pseudopotentials

International Nuclear Information System (INIS)

Lam, P.K.; Cohen, M.L.; Zunger, A.

1980-01-01

The first-principles pseudopotentials developed by Zunger and Cohen are fit with a simple analytic form chosen to model the main physical properties of the potentials. The fitting parameters for the first three rows of the Periodic Table are presented, and the quality of the fit is discussed. The parameters reflect chemical trends of the elements. We find that a minimum of three parameters is required to reproduce the regularities of the Periodic Table. Application of these analytic potentials is also discussed

Full Development Of Pseudopotentials That Work For All Elements ...

African Journals Online (AJOL)

(1982) as well as the prescription of Pattnaik et al.(1979) which eliminated the numerical instability problems. The liquid metal resistivity is evaluated using Simpson's rule. Keywords: Pseudopotential, liquid metal resistivity, matrix element, linear coefficients, inverse orthogonality transformation. Nigerian Journal of Physics ...

Test of parameter-free local pseudopotential for the study of dynamical elastic constants - Cu as a prototype

Science.gov (United States)

Bhatia, K. G.; Vyas, S. M.; Patel, A. B.; Bhatt, N. K.; Vyas, P. R.; Gohel, V. B.

2018-05-01

Using parameter-free (first principles local) pseudopotential, in the present communication we have calculated dynamical elastic constants (C11, C12 and C44), bulk modulus (B), shear modulus (µp), Young's modulus (Y) and Poisson's ratio (σ) in long wavelength limit. Our computed results are well agreed for C44 and B with experiment and with other theoretical results obtained within framework of second order perturbation pseudopotential theory. From the present study we conclude that pseudopotential used contain s-p hybridization and no extra term is required to account core-core repulsion.

Pseudopotentials for calculating the bulk and surface properties of solids

International Nuclear Information System (INIS)

Cohen, M.L.

1983-01-01

A survey is presented describing research in condensed matter physics using pseudopotentials to calculate electronic, structural, and vibrational properties of solids. Semiconductors are emphasized, and both bulk and surface calculations are discussed. (author) [pt

Electronic structure prediction via data-mining the empirical pseudopotential method

Energy Technology Data Exchange (ETDEWEB)

Zenasni, H; Aourag, H [LEPM, URMER, Departement of Physics, University Abou Bakr Belkaid, Tlemcen 13000 (Algeria); Broderick, S R; Rajan, K [Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011-2230 (United States)

2010-01-15

We introduce a new approach for accelerating the calculation of the electronic structure of new materials by utilizing the empirical pseudopotential method combined with data mining tools. Combining data mining with the empirical pseudopotential method allows us to convert an empirical approach to a predictive approach. Here we consider tetrahedrally bounded III-V Bi semiconductors, and through the prediction of form factors based on basic elemental properties we can model the band structure and charge density for these semi-conductors, for which limited results exist. This work represents a unique approach to modeling the electronic structure of a material which may be used to identify new promising semi-conductors and is one of the few efforts utilizing data mining at an electronic level. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Effect of the forcing term in the pseudopotential lattice Boltzmann modeling of thermal flows.

Science.gov (United States)

Li, Qing; Luo, K H

2014-05-01

The pseudopotential lattice Boltzmann (LB) model is a popular model in the LB community for simulating multiphase flows. Recently, several thermal LB models, which are based on the pseudopotential LB model and constructed within the framework of the double-distribution-function LB method, were proposed to simulate thermal multiphase flows [G. Házi and A. Márkus, Phys. Rev. E 77, 026305 (2008); L. Biferale, P. Perlekar, M. Sbragaglia, and F. Toschi, Phys. Rev. Lett. 108, 104502 (2012); S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012); M. R. Kamali et al., Phys. Rev. E 88, 033302 (2013)]. The objective of the present paper is to show that the effect of the forcing term on the temperature equation must be eliminated in the pseudopotential LB modeling of thermal flows. First, the effect of the forcing term on the temperature equation is shown via the Chapman-Enskog analysis. For comparison, alternative treatments that are free from the forcing-term effect are provided. Subsequently, numerical investigations are performed for two benchmark tests. The numerical results clearly show that the existence of the forcing-term effect will lead to significant numerical errors in the pseudopotential LB modeling of thermal flows.

Actinides and lanthanides under pressure: the pseudopotential approach; Actinides et terres rares sous pression: approche pseudopotentiel

Energy Technology Data Exchange (ETDEWEB)

Richard, N

2002-07-01

In the Density Functional Theory Framework, the pseudopotential formalism offers a broader scope of study than other theoretical methods such as global relaxation of the parameters of the cell or ab initio molecular dynamics simulations. This method has been widely used to study light elements or transition metals but never to study f elements. We have generated two non local norm conserving Trouillier-Martins pseudopotentials (one in LDA and one in GGA) for the cerium. To check the validity of the pseudopotentials, we have calculated the equilibrium volume and the incompressibility modulus and compared our results to previous all-electron calculations. If the GGA and non linear core corrections are used, the equation of state is in a good agreement with the experimental equation of state. A static study of the previously proposed high pressure phases give a transitions fcc-a''(I)-bct. Using the pseudopotentials we have generated, an ab initio molecular dynamics simulation at constant pressure, in the region between 5 and 12 GPa where the stable phase of cerium is not well defined, lead us to predict that a centred monoclinic structure, as the a''(I) phase previously observed in some experiments, is the most stable phase. We have also generated pseudopotentials for the light actinides (Th, Pa, U and Np). We have study their phase transitions under pressure at zero temperature. We compared our results with all electron results. The structure parameters have always been relaxed in this study. And for the first time in pseudopotential calculation, the spin-orbit coupling has been taken into account. The curves describing the variation of the volume or the incompressibility modulus depending on the elements and the phase transitions are always in agreement with the one found in the all electron calculations. (author)

Pseudopotential calculations of AlSb under pressure

Science.gov (United States)

Algarni, H.; Al-Hagan, O. A.; Bouarissa, N.; Khan, M. A.; Alhuwaymel, T. F.

2018-02-01

The dependence on hydrostatic pressure of the electronic and optical properties of zinc-blende AlSb semiconducting material in the pressure range of 0-20 kbar has been reported using a pseudopotential approach. At zero pressure, our findings showed that the electron and heavy hole effective masses are 0.11 and 0.38 m0, respectively. Moreover, our results yielded values of 3.3289 and 11.08 for refractive index and high frequency dielectric constant, respectively. These results are found to be in good accord with experiment. Upon compression, all physical parameters of interest showed a monotonic behavior. The pressure-induced energy shifts for the optical transition related to band-gaps indicated that AlSb remains an indirect (D-X) band-gap semiconductor at pressures from 0 to 20 kbar. The trend in all features of interest versus pressure has been presented and discussed. It is found that the lattice parameter is reduced from 0.61355 to 0.60705 nm when pressure is raised from 0 to 20 kbar. The present investigation may be useful for mid-infrared lasers applications, detectors and communication devices.

Pseudo-potential method for taking into account the Pauli principle in cluster systems

International Nuclear Information System (INIS)

Krasnopol'skii, V.M.; Kukulin, V.I.

1975-01-01

In order to take account of the Pauli principle in cluster systems (such as 3α, α + α + n) a convenient method of renormalization of the cluster-cluster deep attractive potentials with forbidden states is suggested. The renormalization consists of adding projectors upon the occupied states with an infinite coupling constant to the initial deep potential which means that we pass to pseudo-potentials. The pseudo-potential approach in projecting upon the noneigenstates is shown to be equivalent to the orthogonality condition model of Saito et al. The orthogonality of the many-particle wave function to the forbidden states of each two-cluster sub-system is clearly demonstrated

Ab initio pseudopotential studies of cubic BC2N under high pressure

International Nuclear Information System (INIS)

Pan Zicheng; Sun Hong; Chen Changfeng

2005-01-01

We present the results of a systematic study of the structural, electronic, and vibrational properties of various cubic BC 2 N phases under high pressure. Ab initio pseudopotential total-energy and phonon calculations have been carried out to examine the changes in the structural parameters, bonding behaviours, band structures, and dynamic instabilities caused by phonon softening in these phases. We find that an experimentally synthesized high-density phase of cubic BC 2 N exhibits outstanding stability in the structural and electronic properties up to very high pressures. On the other hand, another experimentally identified phase with lower density and lower symmetry undergoes a dramatic structural transformation with a volume and bond-length collapse and a concomitant semi-metal to semiconductor transition. A third phase is predicted to be favourable over the above-mentioned lower-density phase by the enthalpy calculations. However, the dynamic phonon calculations reveal that it develops imaginary phonon modes and, therefore, is unstable in the experimental pressure range. The calculations indicate that its synthesis may be achieved at reduced pressures. These results provide a comprehensive understanding for the high-pressure behaviour of the cubic BC 2 N phases and reveal their interesting properties that can be verified by experiments

Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids

International Nuclear Information System (INIS)

Holzwarth, N.A.; Matthews, G.E.; Dunning, R.B.; Tackett, A.R.; Zeng, Y.

1997-01-01

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of materials. In the present paper, we investigate the accuracy of this implementation in comparison with corresponding results obtained using pseudopotential and linearized augmented-plane-wave (LAPW) codes. We present results of calculations for the cohesive energy, equilibrium lattice constant, and bulk modulus for several representative covalent, ionic, and metallic materials including diamond, silicon, SiC, CaF 2 , fcc Ca, and bcc V. With the exception of CaF 2 , for which core-electron polarization effects are important, the structural properties of these materials are represented equally well by the PAW, LAPW, and pseudopotential formalisms. copyright 1997 The American Physical Society

Calculations of electronic structure of UF6 molecule and crystal UO2 with relativistic pseudopotential

International Nuclear Information System (INIS)

Ehvarestov, R.A.; Panin, A.I.; Bandura, A.V.

2008-01-01

Account of relativistic effects on the properties of uranium hexafluoride is testified. Detailed comparison of single electron energies spectrum revealed in nonrelativistic (by Hartree-Fock method), relativistic (by Dirac-Fock method), and scalar-relativistic (using relativistic potential of atomic uranium frame) has been conducted. Optimization procedures of atomic basis in LCAO calculations of molecules and crystals permissive taking into account distortion of atomic orbitals when chemical bonding are discussed, and optimization effect of atomic basis on the results of scalar-relativistic calculations of UF 6 molecule properties is analyzed. Calculations of electronic structure and properties of UO 2 crystal having relativistic and nonrelativistic pseudopotentials have been realized [ru

Scalable real space pseudopotential density functional codes for materials in the exascale regime

Science.gov (United States)

Lena, Charles; Chelikowsky, James; Schofield, Grady; Biller, Ariel; Kronik, Leeor; Saad, Yousef; Deslippe, Jack

Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs, and clusters with and without spin polarization. Fully self-consistent solutions using this approach have been routinely obtained for systems with thousands of atoms. Yet, there are many systems of notable larger sizes where quantum mechanical accuracy is desired, but scalability proves to be a hindrance. Such systems include large biological molecules, complex nanostructures, or mismatched interfaces. We will present an overview of our new massively parallel algorithms, which offer improved scalability in preparation for exascale supercomputing. We will illustrate these algorithms by considering the electronic structure of a Si nanocrystal exceeding 104 atoms. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

Pseudopotential multi-relaxation-time lattice Boltzmann model for cavitation bubble collapse with high density ratio

International Nuclear Information System (INIS)

Shan Ming-Lei; Zhu Chang-Ping; Yao Cheng; Yin Cheng; Jiang Xiao-Yan

2016-01-01

The dynamics of the cavitation bubble collapse is a fundamental issue for the bubble collapse application and prevention. In the present work, the modified forcing scheme for the pseudopotential multi-relaxation-time lattice Boltzmann model developed by Li Q et al. [Li Q, Luo K H and Li X J 2013 Phys. Rev. E 87 053301] is adopted to develop a cavitation bubble collapse model. In the respects of coexistence curves and Laplace law verification, the improved pseudopotential multi-relaxation-time lattice Boltzmann model is investigated. It is found that the thermodynamic consistency and surface tension are independent of kinematic viscosity. By homogeneous and heterogeneous cavitation simulation, the ability of the present model to describe the cavitation bubble development as well as the cavitation inception is verified. The bubble collapse between two parallel walls is simulated. The dynamic process of a collapsing bubble is consistent with the results from experiments and simulations by other numerical methods. It is demonstrated that the present pseudopotential multi-relaxation-time lattice Boltzmann model is applicable and efficient, and the lattice Boltzmann method is an alternative tool for collapsing bubble modeling. (paper)

Temperature dependent empirical pseudopotential theory for self-assembled quantum dots.

Science.gov (United States)

Wang, Jianping; Gong, Ming; Guo, Guang-Can; He, Lixin

2012-11-28

We develop a temperature dependent empirical pseudopotential theory to study the electronic and optical properties of self-assembled quantum dots (QDs) at finite temperature. The theory takes the effects of both lattice expansion and lattice vibration into account. We apply the theory to InAs/GaAs QDs. For the unstrained InAs/GaAs heterostructure, the conduction band offset increases whereas the valence band offset decreases with increasing temperature, and there is a type-I to type-II transition at approximately 135 K. Yet, for InAs/GaAs QDs, the holes are still localized in the QDs even at room temperature, because the large lattice mismatch between InAs and GaAs greatly enhances the valence band offset. The single-particle energy levels in the QDs show a strong temperature dependence due to the change of confinement potentials. Because of the changes of the band offsets, the electron wavefunctions confined in QDs increase by about 1-5%, whereas the hole wavefunctions decrease by about 30-40% when the temperature increases from 0 to 300 K. The calculated recombination energies of excitons, biexcitons and charged excitons show red shifts with increasing temperature which are in excellent agreement with available experimental data.

Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb

Energy Technology Data Exchange (ETDEWEB)

Zaitsevskii, Andrei V [Institute of Hydrogen Energetics and Plasma Technologies, Russian Research Centre ' Kurchatov Institute' (Russian Federation); Wuellen, C van [Technische Universitaet Kaiserslautern (Germany); Titov, A V [B P Konstantinov Petersburg Nuclear Physics Institute, Russian Academy of Sciences (Russian Federation)

2009-12-31

Relativistic pseudopotential approach to the electronic structure simulation of superheavy elements (SHE) compounds is presented. Advanced formulations of this approach leaving both valence and outer-core electronic shells for explicit treatment give rise to simple and efficient computational techniques ensuring highly accurate description of most chemical properties of SHE. At present, the errors due to the use of approximate methods for solving the correlation problem for a subsystem of valence electrons are much larger than those stemming from the pseudopotential approximation itself. Recent applications to the studies of the chemistry of elements 112 (eka-Hg) and 114 (eka-Pb) are reviewed; properties of these elements and their lighter homologues, Hg and Pb, are compared.

Electrical resistivity of noble-metal alloys: Roles of pseudopotential refinements

International Nuclear Information System (INIS)

Mujibar Rahman, S.M.

1983-08-01

The electrical resistivity of liquid noble-metal alloys i.e. CuAu and AgAu is calculated as a function of concentration. The calculations employ transition-metal-pseudopotentials that include nonlocal effects, hybridization and corrections due to orthogonalization hole and use the hard-sphere structure factors; the optimal values of the hard-sphere diameters are being determined by variational calculations. The calculated resistivities are comparable to the experimental values and to the available theoretical results. (author)

Eliminating cubic terms in the pseudopotential lattice Boltzmann model for multiphase flow

Science.gov (United States)

Huang, Rongzong; Wu, Huiying; Adams, Nikolaus A.

2018-05-01

It is well recognized that there exist additional cubic terms of velocity in the lattice Boltzmann (LB) model based on the standard lattice. In this work, elimination of these cubic terms in the pseudopotential LB model for multiphase flow is investigated, where the force term and density gradient are considered. By retaining high-order (≥3 ) Hermite terms in the equilibrium distribution function and the discrete force term, as well as introducing correction terms in the LB equation, the additional cubic terms of velocity are entirely eliminated. With this technique, the computational simplicity of the pseudopotential LB model is well maintained. Numerical tests, including stationary and moving flat and circular interface problems, are carried out to show the effects of such cubic terms on the simulation of multiphase flow. It is found that the elimination of additional cubic terms is beneficial to reduce the numerical error, especially when the velocity is relatively large. Numerical results also suggest that these cubic terms mainly take effect in the interfacial region and that the density-gradient-related cubic terms are more important than the other cubic terms for multiphase flow.

Study of Thermodynamics of Liquid Noble-Metals Alloys Through a Pseudopotential Theory

International Nuclear Information System (INIS)

Vora, Aditya M.

2010-01-01

The Gibbs-Bogoliubov (GB) inequality is applied to investigate the thermodynamic properties of some equiatomic noble metal alloys in liquid phase such as Au-Cu, Ag-Cu, and Ag-Au using well recognized pseudopotential formalism. For description of the structure, well known Percus-Yevick (PY) hard sphere model is used as a reference system. By applying a variation method the best hard core diameters have been found which correspond to minimum free energy. With this procedure the thermodynamic properties such as entropy and heat of mixing have been computed. The influence of local field correction function viz; Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) is also investigated. The computed results of the excess entropy compares favourably in the case of liquid alloys while the agreement with experiment is poor in the case of heats of mixing. This may be due to the sensitivity of the heats of mixing with the potential parameters and the dielectric function. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

Science.gov (United States)

Engel, Eberhard

2018-04-01

Standard plane-wave pseudopotential (PWPP) calculations for slabs such as graphene become extremely demanding, as soon as the exact exchange (EXX) of density functional theory is applied. Even if the Krieger-Li-Iafrate (KLI) approximation for the EXX potential is utilized, such EXX-PWPP calculations suffer from the fact that an accurate representation of the occupied states throughout the complete vacuum between the replicas of the slab is required. In this contribution, a robust and efficient extension scheme for the PWPP states is introduced, which ensures the correct exponential decay of the slab states in the vacuum for standard cutoff energies and therefore facilitates EXX-PWPP calculations for very wide vacua and rather thick slabs. Using this scheme, it is explicitly verified that the Slater component of the EXX/KLI potential decays as -1 /z over an extended region sufficiently far from the surface (assumed to be perpendicular to the z direction) and from the middle of the vacuum, thus reproducing the asymptotic behavior of the exact EXX potential of a single slab. The calculations also reveal that the orbital-shift component of the EXX/KLI potential is quite sizable in the asymptotic region. In spite of the long-range exchange potential, the replicas of the slab decouple rather quickly with increasing width of the vacuum. Relying on the identity of the work function with the Fermi energy obtained with a suitably normalized total potential, the present EXX/KLI calculations predict work functions for both graphene and the Si(111) surface which are substantially larger than the corresponding experimental data. Together with the size of the orbital-shift potential in the asymptotic region, the very large EXX/KLI work functions indicate a failure of the KLI approximation for nonmetallic slabs.

Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

International Nuclear Information System (INIS)

Green, Timothy F. G.; Yates, Jonathan R.

2014-01-01

We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, 1 J(P-Ag) and 2 J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW

Spin-orbit interaction effects in zincblende semiconductors: Ab initio pseudopotential calculations

International Nuclear Information System (INIS)

Li, Ming-Fu; Surh, M.P.; Louie, S.G.

1988-06-01

Ab initio band structure calculations have been performed for the spin-orbit interaction effects at the top of the valence bands for GaAs and InSb. Relativistic, norm-conserving pseudopotentials are used with no correction made for the gaps from the local density approximation. The spin-orbit splitting at Γ and linear terms in the /rvec char/k dependence of the splitting are found to be in excellent agreement with existing experiments and previous theoretical results. The effective mass and the cubic splitting terms are also examined. 6 refs., 1 fig., 2 tabs

Density-functional formulation of the generalized pseudopotential theory. III. Transition-metal interatomic potentials

Science.gov (United States)

Moriarty, John A.

1988-08-01

The first-principles, density-functional version of the generalized pseudopotential theory (GPT) developed in papers I and II of this series [Phys. Rev. B 16, 2537 (1977); 26, 1754 (1982)] for empty- and filled-d-band metals is here extended to pure transition metals with partially filled d bands. The present focus is on a rigorous, real-space expansion of the bulk total energy in terms of widely transferable, structure-independent interatomic potentials, including both central-force pair interactions and angular-force triplet and quadruplet interactions. To accomplish this expansion, a specialized set of starting equations is derived from the basic local-density formalism for a pure metal, including refined expansions for the exchange-correlation terms and a simplified yet accurate representation of the cohesive energy. The parent pseudo-Green's-function formalism of the GPT is then used to develop these equations in a plane-wave, localized-d-state basis. In this basis, the cohesive energy divides quite naturally into a large volume component and a smaller structural component. The volume component,which includes all one-ion intra-atomic energy contributions, already gives a good description of the cohesion in lowest order. The structural component is expanded in terms of weak interatomic matrix elements and gives rise to a multi-ion series which establishes the interatomic potentials. Special attention is focused on the dominant d-electron contributions to this series and complete formal results for the two-ion, three-ion, and four-ion d-state potentials (vd2, vd3, and vd4) are derived. In addition, a simplified model is used to demonstrate that while vd3 can be of comparable importance to vd2, vd4 is inherently small and the series is rapidly convergent beyond three-ion interactions. Analytic model forms are also derived for vd2 and vd3 in the case of canonical d bands. In this limit, vd2 is purely attractive and varies with interatomic distance as r-10, while

Pseudopotential calculations and photothermal lensing measurements of two-photon absorption in solids

International Nuclear Information System (INIS)

White, W.T. III.

1985-01-01

We have studied two-photon absorption in solids theoretically and experimentally. We have shown that it is possible to use accurate band structure techniques to compute two-photon absorption spectra within 15% of measured values in a wide band-gap material, ZnS. The empirical pseudopotential technique that we used is significantly more accurate than previous models of two-photon absorption in zinc blende materials, including present tunneling theories (which are essentially parabolic-band results in disguise) and the nonparabolic-band formalism of Pidgeon et al. and Weiler. The agreement between our predictions and previous measurements allowed us to use ZnS as a reference material in order to validate a technique for measuring two-photon absorption that was previously untried in solids, pulsed dual-beam thermal lensing. With the validated technique, we examined nonlinear absorption in one other crystal (rutile) and in several glasses, including silicates, borosilicates, and one phosphate glass. Initially, we believed that the absorption edges of all the materials were comparable; however, subsequent evidence suggested that the effective band-gap energies of the glasses were above the energy of two photons in our measurement. Therefore, we attribute the nonlinear absorption that we observed in glasses to impurities or defects. The measured nonlinear absorption coefficients were of the order of a few cm/TW in the glasses and of the order of 10 cm/GW in the crystals, four orders of magnitude higher than in glasses. 292 refs

Pseudopotential calculations and photothermal lensing measurements of two-photon absorption in solids

Energy Technology Data Exchange (ETDEWEB)

White, W.T. III

1985-11-04

We have studied two-photon absorption in solids theoretically and experimentally. We have shown that it is possible to use accurate band structure techniques to compute two-photon absorption spectra within 15% of measured values in a wide band-gap material, ZnS. The empirical pseudopotential technique that we used is significantly more accurate than previous models of two-photon absorption in zinc blende materials, including present tunneling theories (which are essentially parabolic-band results in disguise) and the nonparabolic-band formalism of Pidgeon et al. and Weiler. The agreement between our predictions and previous measurements allowed us to use ZnS as a reference material in order to validate a technique for measuring two-photon absorption that was previously untried in solids, pulsed dual-beam thermal lensing. With the validated technique, we examined nonlinear absorption in one other crystal (rutile) and in several glasses, including silicates, borosilicates, and one phosphate glass. Initially, we believed that the absorption edges of all the materials were comparable; however, subsequent evidence suggested that the effective band-gap energies of the glasses were above the energy of two photons in our measurement. Therefore, we attribute the nonlinear absorption that we observed in glasses to impurities or defects. The measured nonlinear absorption coefficients were of the order of a few cm/TW in the glasses and of the order of 10 cm/GW in the crystals, four orders of magnitude higher than in glasses. 292 refs.

The total energy policy in Flanders

International Nuclear Information System (INIS)

Bouma, J.W.J.

1994-01-01

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

Temperature dependence of residual electrical resistivity of Cu-Au in pseudopotential approximation

International Nuclear Information System (INIS)

Khwaja, F.A.; Ahmed, I.; Shaukat, A.

1986-08-01

The problem of temperature dependence of residual electrical resistivity of Cu-Au system is re-examined in the light of static distortion and thermal vibration of the lattice along with the short-range-order of atoms above critical temperature. The extended version of Ziman's formula for resistivity obtained yields a unified version for the calculation of resistivity in pseudopotential approximation. The temperature dependence of the quantity Δρ/ρ in this framework for Cu-Au system is found to be in better agreement with the experimental data as compared to previous calculation. (author)

Band structure calculation of GaSe-based nanostructures using empirical pseudopotential method

International Nuclear Information System (INIS)

Osadchy, A V; Obraztsova, E D; Volotovskiy, S G; Golovashkin, D L; Savin, V V

2016-01-01

In this paper we present the results of band structure computer simulation of GaSe- based nanostructures using the empirical pseudopotential method. Calculations were performed using a specially developed software that allows performing simulations using cluster computing. Application of this method significantly reduces the demands on computing resources compared to traditional approaches based on ab-initio techniques and provides receiving the adequate comparable results. The use of cluster computing allows to obtain information for structures that require an explicit account of a significant number of atoms, such as quantum dots and quantum pillars. (paper)

Total-factor energy efficiency in developing countries

International Nuclear Information System (INIS)

Zhang Xingping; Cheng Xiaomei; Yuan Jiahai; Gao Xiaojun

2011-01-01

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

Total energy calculations from self-energy models

International Nuclear Information System (INIS)

Sanchez-Friera, P.

2001-06-01

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

Total energy system in the future

International Nuclear Information System (INIS)

Hijikata, K.

1994-01-01

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

Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide

Energy Technology Data Exchange (ETDEWEB)

Yu, Jaehyung [Department of Mechanical Science and Engineering, 1206 W Green Street, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Wagner, Lucas K. [Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Ertekin, Elif, E-mail: ertekin@illinois.edu [Department of Mechanical Science and Engineering, 1206 W Green Street, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); International Institute for Carbon Neutral Energy Research - WPI-I" 2CNER, Kyushu University, 744 Moto-oka, Nishi-ku, Fukuoka 819-0395 (Japan)

2015-12-14

The fixed node diffusion Monte Carlo (DMC) method has attracted interest in recent years as a way to calculate properties of solid materials with high accuracy. However, the framework for the calculation of properties such as total energies, atomization energies, and excited state energies is not yet fully established. Several outstanding questions remain as to the effect of pseudopotentials, the magnitude of the fixed node error, and the size of supercell finite size effects. Here, we consider in detail the semiconductors ZnSe and ZnO and carry out systematic studies to assess the magnitude of the energy differences arising from controlled and uncontrolled approximations in DMC. The former include time step errors and supercell finite size effects for ground and optically excited states, and the latter include pseudopotentials, the pseudopotential localization approximation, and the fixed node approximation. We find that for these compounds, the errors can be controlled to good precision using modern computational resources and that quantum Monte Carlo calculations using Dirac-Fock pseudopotentials can offer good estimates of both cohesive energy and the gap of these systems. We do however observe differences in calculated optical gaps that arise when different pseudopotentials are used.

Fermi surface changes in dilute magnesium alloys: a pseudopotential band structure model

International Nuclear Information System (INIS)

Fung, W.K.

1976-01-01

The de Haas-van Alphen effect has been used to study the Fermi surface of pure magnesium and its dilute alloys containing lithium and indium. The quantum oscillations in magnetization were detected by means of a torque magnetometer in magnetic field up to 36 kilogauss and temperature range of 4.2 0 to 1.7 0 K. The results provide information on the effects of lithium and indium solutes on the Fermi surface of magnesium in changes of extremal cross sections and effective masses as well as the relaxation times associated with the orbits. The nonlocal pseudopotential model proposed by Kimball, Stark and Mueller has been fitted to the Fermi surface of magnesium and extended to include the dilute alloys, fitting all the observed de Haas-van Alphen frequencies with an accuracy of better than 1 percent. A modified rigid band interpretation including both Fermi energy and local band edge changes computed from the model, gives an overall satisfactory description of the observed frequency shifts. With the pseudo-wavefunctions provided by the nonlocal model, the relaxation times in terms of Dingle temperatures for several orbits have been predicted using Sorbello's multiple-plane-wave phase shift model. The calculation with phase shifts obtained from a model potential yields a greater anisotropy than has been observed experimentally, while a two-parameter phase shift model provides a good fit to the experimental results

Dielectric functions, pseudopotentials and applications to lattice dynamics

International Nuclear Information System (INIS)

Sinha, S.K.

1975-01-01

An attempt has been made to review the method of calculating the phonon spectra of crystals in terms of the basic electronic structure. Solids with defects, disordered solids and anharmonic effects have been excluded. The most general technique, viz. the Born-Oppenheimer perturbation theory has been discussed. The structure of the dynamic matrix has been discussed and the manifestations of the Fermi surface in the phonon spectrum explained. A pseudopotential concept for the free electron like metals has been justified and a brief account of these potentials from the point of view of the OPW method as well as from that of the phase shift analysis is included. The formalism of the basic results of the phenomenological dipolar models and their recent generalizations have been reviewed. It has pointed out that this could be derived from the microscopic theory by factorization approximation for the dielectric matrix, and the same method could lead even to more general models and the dielectric properties of the crystal could be obtained from such a microscopic theory. It is expected that the results may be applied to optical properties of the crystal. (K.B.)

Full-band quantum simulation of electron devices with the pseudopotential method: Theory, implementation, and applications

Science.gov (United States)

Pala, M. G.; Esseni, D.

2018-03-01

This paper presents the theory, implementation, and application of a quantum transport modeling approach based on the nonequilibrium Green's function formalism and a full-band empirical pseudopotential Hamiltonian. We here propose to employ a hybrid real-space/plane-wave basis that results in a significant reduction of the computational complexity compared to a full plane-wave basis. To this purpose, we provide a theoretical formulation in the hybrid basis of the quantum confinement, the self-energies of the leads, and the coupling between the device and the leads. After discussing the theory and the implementation of the new simulation methodology, we report results for complete, self-consistent simulations of different electron devices, including a silicon Esaki diode, a thin-body silicon field effect transistor (FET), and a germanium tunnel FET. The simulated transistors have technologically relevant geometrical features with a semiconductor film thickness of about 4 nm and a channel length ranging from 10 to 17 nm. We believe that the newly proposed formalism may find applications also in transport models based on ab initio Hamiltonians, as those employed in density functional theory methods.

Total-factor energy efficiency of regions in China

International Nuclear Information System (INIS)

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

2006-01-01

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

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

Science.gov (United States)

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.

G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements

Energy Technology Data Exchange (ETDEWEB)

Silva, Cleuton de Souza [Instituto de Química, Universidade Estadual de Campinas, Barão Geraldo, P.O. Box 6154, 13083-970 Campinas, São Paulo (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Campus de Itacoatiara, 69100-021 Itacoatiara, Amazonas (Brazil); Pereira, Douglas Henrique [Departamento de Ciências Exatas e Biotecnológicas, Universidade Federal do Tocantins, Campus de Gurupi, 77410-530 Gurupi, Tocantins (Brazil); Custodio, Rogério, E-mail: roger@iqm.unicamp.br [Instituto de Química, Universidade Estadual de Campinas, Barão Geraldo, P.O. Box 6154, 13083-970 Campinas, São Paulo (Brazil)

2016-05-28

The G4CEP composite method was developed from the respective G4 all-electron version by considering the implementation of compact effective pseudopotential (CEP). The G3/05 test set was used as reference to benchmark the adaptation by treating in this work atoms and compounds from the first and second periods of the periodic table, as well as representative elements of the third period, comprising 440 thermochemical data. G4CEP has not reached a so high level of accuracy as the G4 all-electron theory. G4CEP presented a mean absolute error around 1.09 kcal mol{sup −1}, while the original method presents a deviation corresponding to 0.83 kcal mol{sup −1}. The similarity of the optimized molecular geometries between G4 and G4CEP indicates that the core-electron effects and basis set adjustments may be pointed out as a significant factor responsible for the large discrepancies between the pseudopotential results and the experimental data, or even that the all-electron calculations are more efficient either in its formulation or in the cancellation of errors. When the G4CEP mean absolute error (1.09 kcal mol{sup −1}) is compared to 1.29 kcal mol{sup −1} from G3CEP, it does not seem so efficient. However, while the G3CEP uncertainty is ±4.06 kcal mol{sup −1}, the G4CEP deviation is ±2.72 kcal mol{sup −1}. Therefore, the G4CEP theory is considerably more reliable than any previous combination of composite theory and pseudopotential, particularly for enthalpies of formation and electron affinities.

Ab-initio theoretical predictions of structure properties of semiconductors

International Nuclear Information System (INIS)

Rodriguez, C.O.; Peltzer y Blanca, E.L.; Cappannini, O.M.

1983-01-01

In this paper, calculations of the total energies and related structural properties of Si, GaP and C are presented showing good agreement with experimental values. The total energy is calculated within the local-density functional formalism using first principles non-local pseudopotentials. (A.C.A.S.) [pt

Searching for Stable SinCn Clusters: Combination of Stochastic Potential Surface Search and Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations

Directory of Open Access Journals (Sweden)

Larry W. Burggraf

2013-07-01

Full Text Available To find low energy SinCn structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA. We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each SinCn cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to SinCn (n = 4–12 clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each SinCn cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

Pseudopotential description of rare earths in oxides: The case of Er2Si2O7

DEFF Research Database (Denmark)

Lægsgaard, Jesper; Stokbro, Kurt

2001-01-01

The applicability of ultrasoft pseudopotentials to the problem of rare-earth incorporation in silicates is investigated using the compound Er2Si2O7 as a test case. It is found that density-functional theory within the generalized gradient approximation provides a good description of the structural...... parameters, when treating the Er 4f states as a partially occupied core shell. The density of states and the distribution of electronic charge are analyzed, and it is concluded that the presence of Er tends to increase the covalency of neighboring Si-O bonds....

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

Energy Technology Data Exchange (ETDEWEB)

Westkaemper, Engelbert; Verl, Alexander (eds.)

2009-07-01

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

Total energy consumption in Finland increased by one percent

International Nuclear Information System (INIS)

Timonen, L.

2000-01-01

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

Optimized design of total energy systems: The RETE project

Science.gov (United States)

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

1980-05-01

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

Temperature dependence of the short-range order parameter and the concentration dependence of the order disorder temperature for Ni-Pt and Ni-Fe systems in the improved statistical pseudopotential approximation

International Nuclear Information System (INIS)

Khwaja, F.A.

1980-08-01

The calculations for the temperature dependence of the first shell short-range order (SRO) parameter for Ni 3 Fe using the cubic approximation of Tahir Kheli, and the concentration dependence of order-disorder temperature Tsub(c) for Ni-Fe and Ni-Pt systems using the linear approximation, have been carried out in the framework of pseudopotential theory. It is shown that the cubic approximation yields a good agreement between the theoretical prediction of the α 1 and the experimental data. Results for the concentration dependence of the Tsub(c) show that improvements in the statistical pseudo-potential approach are essential to achieve a good agreement with experiment. (author)

Study of the atomic ordering in the alloys Ni-Ir using diffuse X-ray scattering and pseudopotentials

International Nuclear Information System (INIS)

Abbas, T.

1982-06-01

Experiments were performed on the Ni-Ir alloys to measure the diffuse X-ray scattering intensity after annealing from high temperatures. It was established that the short-range order exists in these alloys when the samples are quenched from 1200 0 C and 1400 0 C. The ordering potentials for various concentrations of Ir in Ni were calculated using the pseudopotentials of Animalu. The method of incorporating the d electrons in the dielectric screening function was proposed. It was shown that the ordering potential is severely affected by the new type of screening. (author)

Atomic resonances above the total ionization energy

International Nuclear Information System (INIS)

Doolen, G.

1975-01-01

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

Pseudopotential-based electron quantum transport: Theoretical formulation and application to nanometer-scale silicon nanowire transistors

Energy Technology Data Exchange (ETDEWEB)

Fang, Jingtian, E-mail: jingtian.fang@utdallas.edu; Vandenberghe, William G.; Fu, Bo; Fischetti, Massimo V. [Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States)

2016-01-21

We present a formalism to treat quantum electronic transport at the nanometer scale based on empirical pseudopotentials. This formalism offers explicit atomistic wavefunctions and an accurate band structure, enabling a detailed study of the characteristics of devices with a nanometer-scale channel and body. Assuming externally applied potentials that change slowly along the electron-transport direction, we invoke the envelope-wavefunction approximation to apply the open boundary conditions and to develop the transport equations. We construct the full-band open boundary conditions (self-energies of device contacts) from the complex band structure of the contacts. We solve the transport equations and present the expressions required to calculate the device characteristics, such as device current and charge density. We apply this formalism to study ballistic transport in a gate-all-around (GAA) silicon nanowire field-effect transistor with a body-size of 0.39 nm, a gate length of 6.52 nm, and an effective oxide thickness of 0.43 nm. Simulation results show that this device exhibits a subthreshold slope (SS) of ∼66 mV/decade and a drain-induced barrier-lowering of ∼2.5 mV/V. Our theoretical calculations predict that low-dimensionality channels in a 3D GAA architecture are able to meet the performance requirements of future devices in terms of SS swing and electrostatic control.

Contact angle adjustment in equation-of-state-based pseudopotential model.

Science.gov (United States)

Hu, Anjie; Li, Longjian; Uddin, Rizwan; Liu, Dong

2016-05-01

The single component pseudopotential lattice Boltzmann model has been widely applied in multiphase simulation due to its simplicity and stability. In many studies, it has been claimed that this model can be stable for density ratios larger than 1000. However, the application of the model is still limited to small density ratios when the contact angle is considered. The reason is that the original contact angle adjustment method influences the stability of the model. Moreover, simulation results in the present work show that, by applying the original contact angle adjustment method, the density distribution near the wall is artificially changed, and the contact angle is dependent on the surface tension. Hence, it is very inconvenient to apply this method with a fixed contact angle, and the accuracy of the model cannot be guaranteed. To solve these problems, a contact angle adjustment method based on the geometry analysis is proposed and numerically compared with the original method. Simulation results show that, with our contact angle adjustment method, the stability of the model is highly improved when the density ratio is relatively large, and it is independent of the surface tension.

Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.

Science.gov (United States)

Duan, Xiaofeng F; Burggraf, Larry W; Huang, Lingyu

2013-07-22

To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each Si(n)C(n) cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to Si(n)C(n) (n = 4-12) clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each Si(n)C(n) cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

The Use of Trust Regions in Kohn-Sham Total Energy Minimization

International Nuclear Information System (INIS)

Yang, Chao; Meza, Juan C.; Wang, Lin-wang

2006-01-01

The Self Consistent Field (SCF) iteration, widely used for computing the ground state energy and the corresponding single particle wave functions associated with a many-electron atomistic system, is viewed in this paper as an optimization procedure that minimizes the Kohn-Sham total energy indirectly by minimizing a sequence of quadratic surrogate functions. We point out the similarity and difference between the total energy and the surrogate, and show how the SCF iteration can fail when the minimizer of the surrogate produces an increase in the KS total energy. A trust region technique is introduced as a way to restrict the update of the wave functions within a small neighborhood of an approximate solution at which the gradient of the total energy agrees with that of the surrogate. The use of trust region in SCF is not new. However, it has been observed that directly applying a trust region based SCF(TRSCF) to the Kohn-Sham total energy often leads to slow convergence. We propose to use TRSCF within a direct constrained minimization(DCM) algorithm we developed in dcm. The key ingredients of the DCM algorithm involve projecting the total energy function into a sequence of subspaces of small dimensions and seeking the minimizer of the total energy function within each subspace. The minimizer of a subspace energy function, which is computed by TRSCF, not only provides a search direction along which the KS total energy function decreases but also gives an optimal 'step-length' that yields a sufficient decrease in total energy. A numerical example is provided to demonstrate that the combination of TRSCF and DCM is more efficient than SCF

Simulated non-contact atomic force microscopy for GaAs surfaces based on real-space pseudopotentials

International Nuclear Information System (INIS)

Kim, Minjung; Chelikowsky, James R.

2014-01-01

We simulate non-contact atomic force microscopy (AFM) with a GaAs(1 1 0) surface using a real-space ab initio pseudopotential method. While most ab initio simulations include an explicit model for the AFM tip, our method does not introduce the tip modeling step. This approach results in a considerable reduction of computational work, and also provides complete AFM images, which can be directly compared to experiment. By analyzing tip-surface interaction forces in both our results and previous ab initio simulations, we find that our method provides very similar force profile to the pure Si tip results. We conclude that our method works well for systems in which the tip is not chemically active.

Economics of total energy schemes in the liberalised European energy market

Science.gov (United States)

Lampret, Peter

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

Statistical properties of kinetic and total energy densities in reverberant spaces

DEFF Research Database (Denmark)

Jacobsen, Finn; Molares, Alfonso Rodriguez

2010-01-01

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

The total Hartree-Fock energy-eigenvalue sum relationship in atoms

International Nuclear Information System (INIS)

Sen, K.D.

1979-01-01

Using the well known relationships for the isoelectronic changes in the total Hartree-Fock energy, nucleus-electron attraction energy and electron-electron repulsion energy in atoms a simple polynomial expansion in Z is obtained for the sum of the eigenvalues which can be used to calculate the total Hartree-Fock energy. Numerical results are presented for 2-10 electron series to show that the present relationship is a better approximation than the other available energy-eigenvalue relationships. (author)

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

Science.gov (United States)

Deng, Yue

2014-01-01

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

Specific-heat measurements in superconducting indium-thallium alloys and the pseudopotential form factor

International Nuclear Information System (INIS)

Munukutla, L.V.; Cappelletti, R.L.

1980-01-01

Normal-state specific heats between 1 and 4.4 K and superconducting transition temperatures of pure indium and In-Tl alloys have been measured. Excellent agreement with previous results was found. N/sub bs/(0) was extracted using our γ values and Dynes's lambda values and shows a large variation. The measured variation of lambda 2 > was also obtained from Dynes's results and found to be nearly linear in spite of the large variation of N/sub bs/(0). This is shown to be a consequence of the fact that the ratio of the calculated average screened pseudopotential form factor to electron density of states, 2 /sub s/>/N/sub bs/(0), is nearly constant across the alloy series for each element. No anomaly was found in the specific heat of In/sub 0.69/Tl/sub 0.31/ at the expected martensitic transition temperature

Asymptotic elastic energy in simple metals

International Nuclear Information System (INIS)

Khalifeh, J.M.

1983-07-01

The asymptotic form of the elastic binding energy ΔEsup(as)(R) between two Mg atoms in Al is expressed as a product of a lattice Green function and the dipole force tensor P. The quantity P is obtained by a nearly free electron model in which the impurity effect is introduced by a screened Ashcroft pseudopotential characterized by an excess charge ΔZ and a core radius rsub(j). (author)

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

Science.gov (United States)

Bayliss, B. P.

1974-01-01

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

Medium properties and total energy coupling in underground explosions

International Nuclear Information System (INIS)

Kurtz, S.R.

1975-01-01

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

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

Science.gov (United States)

Zhang, Chi; Yang, Ming

2009-11-01

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

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

Science.gov (United States)

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

2018-05-26

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

Total Cross Sections at High Energies An update

CERN Document Server

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

2002-01-01

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

Institutional total energy case studies

Energy Technology Data Exchange (ETDEWEB)

Wulfinghoff, D.

1979-07-01

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

Comparative risk assessment of total energy systems

International Nuclear Information System (INIS)

Soerensen, B.

1982-01-01

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

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

International Nuclear Information System (INIS)

Yang Chao; Meza, Juan C.; Wang Linwang

2006-01-01

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

The Theory of High Energy Collision Processes - Final Report DOE/ER/40158-1

Energy Technology Data Exchange (ETDEWEB)

Wu, Tai, T.

2011-09-15

In 1984, DOE awarded Harvard University a new Grant DE-FG02-84ER40158 to continue their support of Tai Tsun Wu as Principal Investigator of research on the theory of high energy collision processes. This Grant was renewed and remained active continuously from June 1, 1984 through November 30, 2007. Topics of interest during the 23-year duration of this Grant include: the theory and phenomenology of collision and production processes at ever higher energies; helicity methods of QED and QCD; neutrino oscillations and masses; Yang-Mills gauge theory; Beamstrahlung; Fermi pseudopotentials; magnetic monopoles and dyons; cosmology; classical confinement; mass relations; Bose-Einstein condensation; and large-momentum-transfer scattering processes. This Final Report describes the research carried out on Grant DE-FG02-84ER40158 for the period June 1, 1984 through November 30, 2007. Two books resulted from this project and a total of 125 publications.

Pseudopotential approach to superconductivity in MgB2

International Nuclear Information System (INIS)

Sharma, K.S.; Bhargava, Nidhi; Jain, Ritu; Goyal, Varsha; Sharma, Ritu; Sharma, Smita

2010-01-01

Superconductivity in MgB 2 has been re-examined in BCS-Eliashberg framework by employing Mc-Millan's T c -equation and form factors of MgB 2 computed from the form factors of component metals (Model-I). The empty core model pseudopotential due to Ashcroft and random phase approximation form of dielectric screening due to Gellmann and Brueckner are used in the present work. An excellent agreement between the present values and other theoretically computed values of T c and with the relevant experimental data for MgB 2 confirms the validity of the present approach. The explicit dependence of λ and T c on the isotopic masses of Mg and B, as revealed from the present work, confirms the role of lattice vibrations in the superconducting behaviour of MgB 2 and the high value of T c in it may be attributed to the phonon mediated e-e interaction coupled with higher values of phonon frequencies due to light mass of B atoms. It has also been observed that the pseudo-atom model (Model-II) with appropriate choice of the potential parameter r c successfully explains high value of T c and isotope effect in MgB 2 , confirming the prominent role played by electron-phonon interaction in the high-T c superconductivity observed in MgB 2 . The isotope effect exponent α-values obtained from the two models are in complete agreement with each other and the present value α = 0.46 is also much closer to the BCS value of 0.5. Interaction strength N 0 V values obtained from the two models are also in perfect agreement with each other and the present value N 0 V = 0.48 suggests that MgB 2 is a strong coupling superconductor. (author)

Total energy calculations and bonding at interfaces

International Nuclear Information System (INIS)

Louie, S.G.

1984-08-01

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

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

Science.gov (United States)

Kholmetskii, Alexander; Missevitch, Oleg; Yarman, Tolga

2016-02-01

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

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

International Nuclear Information System (INIS)

Kistemaker, J.

1975-01-01

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

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

International Nuclear Information System (INIS)

Al-Dabbas, Moh'd A. F.

1994-04-01

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

Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange

International Nuclear Information System (INIS)

Bylaska, Eric J.; Tsemekhman, Kiril L.; Baden, Scott B.; Weare, John H.; Jonsson, Hannes

2011-01-01

One of the more persistent failures of conventional density functional theory (DFT) methods has been their failure to yield localized charge states such as polarons, excitons and solitons in solid-state and extended systems. It has been suggested that conventional DFT functionals, which are not self-interaction free, tend to favor delocalized electronic states since self-interaction creates a Coulomb barrier to charge localization. Pragmatic approaches in which the exchange correlation functionals are augmented with small amount of exact exchange (hybrid-DFT, e.g. B3LYP and PBE0) have shown promise in localizing charge states and predicting accurate band gaps and reaction barriers. We have developed a parallel algorithm for implementing exact exchange into pseudopotential plane-wave density functional theory and we have implemented it in the NWChem program package. The technique developed can readily be employed in plane-wave DFT programs. Furthermore, atomic forces and stresses are straightforward to implement, making it applicable to both confined and extended systems, as well as to Car-Parrinello ab initio molecular dynamic simulations. This method has been applied to several systems for which conventional DFT methods do not work well, including calculations for band gaps in oxides and the electronic structure of a charge trapped state in the Fe(II) containing mica, annite.

Machine Learning methods in fitting first-principles total energies for substitutionally disordered solid

Science.gov (United States)

Gao, Qin; Yao, Sanxi; Widom, Michael

2015-03-01

Density functional theory (DFT) provides an accurate and first-principles description of solid structures and total energies. However, it is highly time-consuming to calculate structures with hundreds of atoms in the unit cell and almost not possible to calculate thousands of atoms. We apply and adapt machine learning algorithms, including compressive sensing, support vector regression and artificial neural networks to fit the DFT total energies of substitutionally disordered boron carbide. The nonparametric kernel method is also included in our models. Our fitted total energy model reproduces the DFT energies with prediction error of around 1 meV/atom. The assumptions of these machine learning models and applications of the fitted total energies will also be discussed. Financial support from McWilliams Fellowship and the ONR-MURI under the Grant No. N00014-11-1-0678 is gratefully acknowledged.

Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channel

Energy Technology Data Exchange (ETDEWEB)

Costa, Romarly F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Oliveira, Eliane M. de; Lima, Marco A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Bettega, Márcio H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Varella, Márcio T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Jones, Darryl B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Brunger, Michael J. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Blanco, Francisco [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, Ciudad Universitaria, 2840 Madrid (Spain); Colmenares, Rafael [Hospital Ramón y Cajal, 28034 Madrid (Spain); and others

2015-03-14

We report theoretical and experimental total cross sections for electron scattering by phenol (C{sub 6}H{sub 5}OH). The experimental data were obtained with an apparatus based in Madrid and the calculated cross sections with two different methodologies, the independent atom method with screening corrected additivity rule (IAM-SCAR), and the Schwinger multichannel method with pseudopotentials (SMCPP). The SMCPP method in the N{sub open}-channel coupling scheme, at the static-exchange-plus-polarization approximation, is employed to calculate the scattering amplitudes at impact energies ranging from 5.0 eV to 50 eV. We discuss the multichannel coupling effects in the calculated cross sections, in particular how the number of excited states included in the open-channel space impacts upon the convergence of the elastic cross sections at higher collision energies. The IAM-SCAR approach was also used to obtain the elastic differential cross sections (DCSs) and for correcting the experimental total cross sections for the so-called forward angle scattering effect. We found a very good agreement between our SMCPP theoretical differential, integral, and momentum transfer cross sections and experimental data for benzene (a molecule differing from phenol by replacing a hydrogen atom in benzene with a hydroxyl group). Although some discrepancies were found for lower energies, the agreement between the SMCPP data and the DCSs obtained with the IAM-SCAR method improves, as expected, as the impact energy increases. We also have a good agreement among the present SMCPP calculated total cross section (which includes elastic, 32 inelastic electronic excitation processes and ionization contributions, the latter estimated with the binary-encounter-Bethe model), the IAM-SCAR total cross section, and the experimental data when the latter is corrected for the forward angle scattering effect [Fuss et al., Phys. Rev. A 88, 042702 (2013)].

How fast is the growth of Total Cross Section at High Energies?

CERN Document Server

Fazal-e-Aleem, M; Sohail-Afzal, Tahir; Ayub-Faridi, M; Qadee-Afzal, M

2003-01-01

Relativistic Heavy Ion Collider and Large Hadron Colliders have special agenda for the measurements of the total cross sections at high energies giving us an opportunity to touch cosmic ray energies. Recent analyses of the cosmic ray data together with earlier experimental measurements at ISR and SPS gives us an insight about the behaviour of this important parameter at asymptotic energies. We will study the growth of total cross section at high energies in the light of various theoretical approaches with special reference to measurements at RHIC and LHC.

Ecological total-factor energy efficiency of regions in China

International Nuclear Information System (INIS)

Li Lanbing; Hu Jinli

2012-01-01

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

Economic analysis model for total energy and economic systems

International Nuclear Information System (INIS)

Shoji, Katsuhiko; Yasukawa, Shigeru; Sato, Osamu

1980-09-01

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

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

Science.gov (United States)

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

2016-04-01

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Departamento de Física, Universidade Federal do Espírito Santo, 29075-910, Vitória, Espírito Santo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2016-04-14

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

International Nuclear Information System (INIS)

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

2016-01-01

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

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

Science.gov (United States)

Atanasov, Atanas Todorov

2017-11-01

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

Electronic structure and formation energy of a vacancy in aluminum

International Nuclear Information System (INIS)

Chakraborty, B.; Siegel, R.W.

1981-11-01

The electronic structure of a vacancy in Al was calculated self-consistently using norm-conserving ionic pseudopotentials obtained from ab initio atomic calculations. A 27-atom-site supercell containing 1 vacancy and 26 atoms was used to simulate the environment of the vacancy. A vacancy formation energy of 1.5 eV was also calculated (cf. the experimental value of 0.66 eV). The effects of the supercell and the nature of the ionic potential on the resulting electronic structure and formation energy are discussed. Results for the electronic structure of a divacancy are also presented. 3 figures

Self-consistent field with pseudowavefunctions

International Nuclear Information System (INIS)

Szasz, L.

1976-01-01

A computational method is given in which the energy of an atom is computed by using pseudowavefunctions only. The method centers on a model energy expression E/sub M/ which is similar to the Hartree--Fock energy expression, but contains only pseudowavefunctions. A theorem is proved according to which the Hartree--Fock orbitals can be transformed by a linear transformation into a set of uniquely defined pseudowavefunctions which have the property that, when substituted into E/sub M/, this quantity will closely approximate the Hartree--Fock energy E/sub F/. The new method is then formulated by identifying the total energy of an atom with the minimum of E/sub M/. Application of the energy minimum principle leads to a set of equations for the pseudowavefunctions which are similar to but simpler than the Hartree--Fock equations. These equations contain pseudopotentials for which explicit expressions are derived. The possibility of replacing these pseudopotentials by simpler model potentials is discussed, and the criteria for the selection of the model potential are outlined

Environment-adjusted total-factor energy efficiency of Taiwan's service sectors

International Nuclear Information System (INIS)

Fang, Chin-Yi; Hu, Jin-Li; Lou, Tze-Kai

2013-01-01

This study computes the pure technical efficiency (PTE) and energy-saving target of Taiwan's service sectors during 2001–2008 by using the input-oriented data envelopment analysis (DEA) approach with the assumption of a variable returns-to-scale (VRS) situation. This paper further investigates the effects of industry characteristics on the energy-saving target by applying the four-stage DEA proposed by Fried et al. (1999). We also calculate the pre-adjusted and environment-adjusted total-factor energy efficiency (TFEE) scores in these service sectors. There are three inputs (labor, capital stock, and energy consumption) and a single output (real GDP) in the DEA model. The most energy efficient service sector is finance, insurance and real estate, which has an average TFEE of 0.994 and an environment-adjusted TFEE (EATFEE) of 0.807. The study utilizes the panel-data, random-effects Tobit regression model with the energy-saving target (EST) as the dependent variable. Those service industries with a larger GDP output have greater excess use of energy. The capital–labor ratio has a significantly positive effect while the time trend variable has a significantly negative impact on the EST, suggesting that future new capital investment should also be accompanied with energy-saving technology in the service sectors. - Highlights: • The technical efficiency and energy-saving target of service sectors are assessed. • The pre-adjusted and environment-adjusted total-factor energy efficiency scores in services are assessed. • The industrial characteristic differences are examined by the panel-data, random-effects Tobit regression model. • Labor, capital, and energy and an output (GDP) are included in the DEA model. • Future new capital investment should also be accompanied with energy-saving technology in the service sectors

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

Energy Technology Data Exchange (ETDEWEB)

NONE

2005-05-15

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

Parameterization of α-nucleus total reaction cross section at intermediate energies

International Nuclear Information System (INIS)

Alvi, M A; Abdulmomen, M A

2008-01-01

Applying a Coulomb correction factor to the Glauber model we have derived a closed expression for α-nucleus total reaction cross section, σ R . Under the approximation of rigid projectile model, the elastic S-matrix element S el (b) is evaluated from the phenomenological N-α amplitude and a Gaussian fit to the Helm's model form factor. Excellent agreements with the experimental data have been achieved by performing two-parameter fits to the α-nucleus σ R data in the energy range about 75 to 193 MeV. One of the parameters was found to be energy independent while the other, as expected, shows the energy dependence similar to that of N-α total cross section.

Research on the decomposition model for China’s National Renewable Energy total target

International Nuclear Information System (INIS)

Liu, Zhen; Shi, Yuren; Yan, Jianming; Ou, Xunmin; Lieu, Jenny

2012-01-01

It is crucial that China’s renewable energy national target in 2020 is effectively decomposed into respective period targets at the provincial level. In order to resolve problems arising from combining the national and local renewable energy development plan, a total target and period target decomposition model of renewable energy is proposed which considers the resource distribution and energy consumption of different provinces as well as the development characteristics of various renewable energy industries. In the model, the total proposed target is comprised of three shares: basic share, fixed share and floating share target. The target distributed for each province is then determined by the preference relation. That is, when total renewable energy target is distributed, the central government is more concerned about resources potential or energy consumption. Additionally, the growth models for various renewable energy industries are presented, and the period targets of renewable energy in various provinces are proposed in line with regional economic development targets. In order to verify whether the energy target can be achieved, only wind power, solar power, and hydropower are considered in this study. To convenient to assess the performance of local government, the two year period is chosen as an evaluation cycle in the paper. The renewable energy targets per two-year period for each province are calculated based on the overall national renewable energy target, energy requirements and resources distribution. Setting provincial period targets will help policy makers to better implement and supervise the overall renewable energy plan. - Highlights: It is very importance that the national target of renewable energy in 2020 can be effectively decomposed into the stages target of various province. In order to resolve the relation the plan between the national and local renewable energy development planning, a total target and phase target decomposition model

Impact of dietary fiber energy on the calculation of food total energy value in the Brazilian Food Composition Database.

Science.gov (United States)

Menezes, Elizabete Wenzel de; Grande, Fernanda; Giuntini, Eliana Bistriche; Lopes, Tássia do Vale Cardoso; Dan, Milana Cara Tanasov; Prado, Samira Bernardino Ramos do; Franco, Bernadette Dora Gombossy de Melo; Charrondière, U Ruth; Lajolo, Franco Maria

2016-02-15

Dietary fiber (DF) contributes to the energy value of foods and including it in the calculation of total food energy has been recommended for food composition databases. The present study aimed to investigate the impact of including energy provided by the DF fermentation in the calculation of food energy. Total energy values of 1753 foods from the Brazilian Food Composition Database were calculated with or without the inclusion of DF energy. The energy values were compared, through the use of percentage difference (D%), in individual foods and in daily menus. Appreciable energy D% (⩾10) was observed in 321 foods, mainly in the group of vegetables, legumes and fruits. However, in the Brazilian typical menus containing foods from all groups, only D%foods, when individually considered. Copyright © 2015 Elsevier Ltd. All rights reserved.

Energy efficiency improvement: A strong driver for Total operations and R and D

Energy Technology Data Exchange (ETDEWEB)

Garnaud, Frederic; Rocher, Anne

2010-09-15

Total has implemented an energy efficiency action plan for both producing fields and new projects linked to a dedicated R and D program. The Energy efficiency assessment methodology is described, with an example: base line of the current situation, energy efficiency plan, contribution to best practices at corporate level. A methodology to assess the energy efficiency of a new development has been defined and implemented within Total. This methodology as well as related indicators is presented. Examples of R and D results dedicated to improve energy efficiency in two major areas of future developments are given: sour gas production and deep offshore field architecture.

Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium.

Energy Technology Data Exchange (ETDEWEB)

Shulenburger, Luke [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mattsson, Thomas Kjell Rene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Desjarlais, Michael Paul [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-01-01

Motivated by the disagreement between recent diffusion Monte Carlo calculations of the phase transition pressure between the ambient and beta-Sn phases of silicon and experiments, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an opportunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation and after removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

6,7Li + 28Si total reaction cross sections at near barrier energies

International Nuclear Information System (INIS)

Pakou, A.; Musumarra, A.; Pierroutsakou, D.; Alamanos, N.; Assimakopoulos, P.A.; Divis, N.; Doukelis, G.; Gillibert, A.; Harissopulos, S.; Kalyva, G.; Kokkoris, M.; Lagoyannis, A.; Mertzimekis, T.J.; Nicolis, N.G.; Papachristodoulou, C.; Perdikakis, G.; Roubos, D.; Rusek, K.; Spyrou, S.; Zarkadas, Ch.

2007-01-01

Total reaction cross section measurements for the 6,7 Li + 28 Si systems have been performed at near-barrier energies. The results indicate that, with respect to the potential anomaly at barrier, 6 Li and 7 Li on light targets exhibit similar energy dependence on the imaginary potential. Comparisons are made with 6,7 Li cross sections on light and heavy targets, extracted via previous elastic scattering measurements and also with CDCC calculations. Energy dependent parametrisations are also obtained for total reaction cross sections of 6,7 Li on Si, as well as on any target, at near barrier energies

Energy consumption and total factor productivity growth in Iranian agriculture

Directory of Open Access Journals (Sweden)

Reza Moghaddasi

2016-11-01

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

Achievement report for fiscal 1981 on Sunshine Program-entrusted research and development. Research on hydrogen energy total system; 1981 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

In this research, studies are conducted relative to the time point, form, and magnitude of the introduction of hydrogen into Japan's total energy system. The research aims to construct a hydrogen energy total system consisting of hydrogen energy subsystems to be available in the future and to clearly define the stage at which transfer to the target system will be carried out. In the research for fiscal 1981, studies continue about the feasibility of hydrogen as automobile and aviation fuels and as a material for use in chemical engineering, about conversion into each other of hydrogen and various synthetic fuels and electric power with which hydrogen will have to compete in the domain into which it will be supplied, and about technologies of their utilization for comparison between such energies in the search for their interchangeability. Surveys are conducted on technical data about local energies. The Yakushima island is chosen, for instance, and a conceptual hydrogen energy base is constructed there and the cost for the construction is estimated. At the last part, the feasibility of the introduction of hydrogen into Japan's energy system in the future is discussed for assessment. (NEDO)

Relativistic total energy and chemical potential of heavy atoms and positive ions

International Nuclear Information System (INIS)

Hill, S.H.; Grout, P.J.; March, N.H.

1984-01-01

The relativistic Thomas-Fermi theory, with a finite nucleus, is used to study the variation of the chemical potential μ with atomic number Z and number of electrons N (N <= Z). The difference between the total energy of positive ions and that of the corresponding neutral atom has been obtained. The scaling predictions are confirmed by numerical calculations. The first principles calculation of the relativistic Thomas-Fermi total energy of neutral atoms is also studied. (author)

Modeling thermal inkjet and cell printing process using modified pseudopotential and thermal lattice Boltzmann methods

Science.gov (United States)

Sohrabi, Salman; Liu, Yaling

2018-03-01

Pseudopotential lattice Boltzmann methods (LBMs) can simulate a phase transition in high-density ratio multiphase flow systems. If coupled with thermal LBMs through equation of state, they can be used to study instantaneous phase transition phenomena with a high-temperature gradient where only one set of formulations in an LBM system can handle liquid, vapor, phase transition, and heat transport. However, at lower temperatures an unrealistic spurious current at the interface introduces instability and limits its application in real flow system. In this study, we proposed new modifications to the LBM system to minimize a spurious current which enables us to study nucleation dynamic at room temperature. To demonstrate the capabilities of this approach, the thermal ejection process is modeled as one example of a complex flow system. In an inkjet printer, a thermal pulse instantly heats up the liquid in a microfluidic chamber and nucleates bubble vapor providing the pressure pulse necessary to eject droplets at high speed. Our modified method can present a more realistic model of the explosive vaporization process since it can also capture a high-temperature/density gradient at nucleation region. Thermal inkjet technology has been successfully applied for printing cells, but cells are susceptible to mechanical damage or death as they squeeze out of the nozzle head. To study cell deformation, a spring network model, representing cells, is connected to the LBM through the immersed boundary method. Looking into strain and stress distribution of a cell membrane at its most deformed state, it is found that a high stretching rate effectively increases the rupture tension. In other words, membrane deformation energy is released through creation of multiple smaller nanopores rather than big pores. Overall, concurrently simulating multiphase flow, phase transition, heat transfer, and cell deformation in one unified LB platform, we are able to provide a better insight into the

Modeling thermal inkjet and cell printing process using modified pseudopotential and thermal lattice Boltzmann methods.

Science.gov (United States)

Sohrabi, Salman; Liu, Yaling

2018-03-01

Pseudopotential lattice Boltzmann methods (LBMs) can simulate a phase transition in high-density ratio multiphase flow systems. If coupled with thermal LBMs through equation of state, they can be used to study instantaneous phase transition phenomena with a high-temperature gradient where only one set of formulations in an LBM system can handle liquid, vapor, phase transition, and heat transport. However, at lower temperatures an unrealistic spurious current at the interface introduces instability and limits its application in real flow system. In this study, we proposed new modifications to the LBM system to minimize a spurious current which enables us to study nucleation dynamic at room temperature. To demonstrate the capabilities of this approach, the thermal ejection process is modeled as one example of a complex flow system. In an inkjet printer, a thermal pulse instantly heats up the liquid in a microfluidic chamber and nucleates bubble vapor providing the pressure pulse necessary to eject droplets at high speed. Our modified method can present a more realistic model of the explosive vaporization process since it can also capture a high-temperature/density gradient at nucleation region. Thermal inkjet technology has been successfully applied for printing cells, but cells are susceptible to mechanical damage or death as they squeeze out of the nozzle head. To study cell deformation, a spring network model, representing cells, is connected to the LBM through the immersed boundary method. Looking into strain and stress distribution of a cell membrane at its most deformed state, it is found that a high stretching rate effectively increases the rupture tension. In other words, membrane deformation energy is released through creation of multiple smaller nanopores rather than big pores. Overall, concurrently simulating multiphase flow, phase transition, heat transfer, and cell deformation in one unified LB platform, we are able to provide a better insight into the

G3(MP2)-CEP theory and applications for compounds containing atoms from representative first, second and third row elements of the periodic table.

Science.gov (United States)

Pereira, Douglas Henrique; Rocha, Carlos Murilo Romero; Morgon, Nelson Henrique; Custodio, Rogério

2015-08-01

The compact effective potential (CEP) pseudopotential was adapted to the G3(MP2) theory, herein referred to as G3(MP2)-CEP, and applied to the calculation of enthalpies of formation, ionization energies, atomization energies, and electron and proton affinities for 446 species containing elements of the 1st, 2nd, and 3rd rows of the periodic table. A total mean absolute deviation of 1.67 kcal mol(-1) was achieved with G3(MP2)-CEP, compared with 1.47 kcal mol(-1) for G3(MP2). Electron affinities and enthalpies of formation are the properties exhibiting the lowest deviations with respect to the original G3(MP2) theory. The use of pseudopotentials and composite theories in the framework of the G3 theory is feasible and compatible with the all electron approach. Graphical Abstract Application of composite methods in high-level ab initio calculations.

Elastic scattering and total cross section at very high energies

International Nuclear Information System (INIS)

Castaldi, R.; Sanguinetti, G.

1985-01-01

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

Managing total corporate electricity/energy market risks

International Nuclear Information System (INIS)

Henney, A.; Keers, G.

1998-01-01

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

Measurements of effective total macroscopic cross sections and effective energy of continuum beam

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, Hisao [Rikkyo Univ., Yokosuka, Kanagawa (Japan). Inst. for Atomic Energy

1998-03-01

Two practically useful quantities are introduced in this study to characterize a continuum neutron beam and to describe transmission phenomena of the beam in field of quantitative neutron radiography: an effective energy instead of a peak energy or a mean energy of the spectrum and an effective total macroscopic (ETM) cross section instead of a total macroscopic (TM) cross section defined at the monochromatic energy. The effective energy was evaluated by means of energy dependence of ETM cross section. To realize the method a beam quality indicator (BQI) has been proposed recently. Several effective energies were measured for non-filtered, filtered neutron beams, and outputs of neutron guide tubes in world by the BQI. A thermal neutron beam and three beams modulated by Pb filters with different thicknesses are studied to measure ETM cross sections for various materials and summarized in a table. Validity of the effective energy determined by the BQI is discussed relating with ETM cross sections of materials. (author)

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Assessment and Decomposition of Total Factor Energy Efficiency: An Evidence Based on Energy Shadow Price in China

Directory of Open Access Journals (Sweden)

Peihao Lai

2016-04-01

Full Text Available By adopting an energy-input based directional distance function, we calculated the shadow price of four types of energy (i.e., coal, oil, gas and electricity among 30 areas in China from 1998 to 2012. Moreover, a macro-energy efficiency index in China was estimated and divided into intra-provincial technical efficiency, allocation efficiency of energy input structure and inter-provincial energy allocation efficiency. It shows that total energy efficiency has decreased in recent years, where intra-provincial energy technical efficiency drops markedly and extensive mode of energy consumption rises. However, energy structure and allocation improves slowly. Meanwhile, lacking an integrated energy market leads to the loss of energy efficiency. Further improvement of market allocation and structure adjustment play a pivotal role in the increase of energy efficiency.

DWBA differential and total pair production cross sections for intermediate energy photons

International Nuclear Information System (INIS)

Selvaraju, C.; Bhullar, A.S.; Sud, K.K.

2001-01-01

We present in this communication the theoretical differential and total cross section for electron-positron pair creation by intermediate energy photons (5.0-10.0 MeV) on different targets (Z=1, 30, 50, 68, 82 and 92). The computed cross sections are in distorted wave Born approximation (DWBA) in point Coulomb potential. The database of the differential and total pair production cross sections is presented in tabulated as well as in graphical form and the interpolation of differential cross sections for different atomic numbers, positron and photon energies is discussed

Energy of formation for AgIn liquid binary alloys along the line of phase separation

CERN Document Server

Bhuiyan, G M; Ziauddin-Ahmed, A Z

2003-01-01

We have investigated the energy of formation for AgIn liquid binary alloys along the solid-liquid phase separation line. A microscopic theory based on the first order perturbation has been applied. The interionic interaction and a reference liquid are the fundamental components of the theory. These are described by a local pseudopotential and the hard sphere liquids, respectively. The results of calculations reveal a characteristic feature that the energy of formation becomes minimum at the equiatomic composition, and thus indicates maximal mix-ability at this concentration. The energy of formation at a particular thermodynamic state that is at T 1173 K predicts the experimental trends fairly well.

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

International Nuclear Information System (INIS)

Sgouridis, Sgouris; Kennedy, Scott

2010-01-01

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

Total-factor energy efficiency of regions in Japan

Energy Technology Data Exchange (ETDEWEB)

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

2008-02-15

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

Total-factor energy efficiency of regions in Japan

International Nuclear Information System (INIS)

Honma, Satoshi; Hu, Jin-Li

2008-01-01

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

The total energy-momentum tensor for electromagnetic fields in a dielectric

Science.gov (United States)

Crenshaw, Michael E.

2017-08-01

�mv. Newtonian fluids can behave very much like dust with the same energy-momentum tensor. The energy and momentum conservation properties of light propagating in the vacuum were long-ago cast in the energy-momentum tensor formalism in terms of the electromagnetic energy density and electromagnetic momentum density. However, extrapolating the tensor theory of energy-momentum conservation for propagation of light in the vacuum to propagation of light in a simple linear dielectric medium has proven to be problematic and controversial. A dielectric medium is not "otherwise empty" and it is typically assumed that optically induced forces accelerate and decelerate nanoscopic material constituents of the dielectric. The corresponding material energy-momentum tensor is added to the electromagnetic energy-momentum tensor to form the total energy-momentum tensor, thereby ensuring that the total energy and the total momentum of the thermodynamically closed system remain constant in time.

Ab initio pseudopotential calculations for the electronic and geometric structures of hydrogen covered Si(1 1 4)-(2x1)

International Nuclear Information System (INIS)

Smardon, R.D.; Srivastava, G.P.

2004-01-01

Using a first principles pseudopotential method we have studied the adsorption of H on the high index Si(1 1 4)-(2x1) surface within the local density approximation. This stable surface is found to be both chemically and electronically passivated by two different coverages of hydrogen: 1.0 ML and 1.5 ML. For the 1.0 ML coverage all the A- and B-type dimer bond lengths have equalised to 2.40 Angst and the rebonded lengths are slightly longer at 2.48 Angst. Hydrogen passivation, for both coverages, leads the surface bands of the clean Si(1 1 4)-(2x1) surface to move into the bulk valence and conduction bands. Differences in the density of states for the clean, 1.0 ML and 1.5 ML coverages were observed and are discussed

Total, accessible and reserve wind energy resources in Bulgaria

International Nuclear Information System (INIS)

Ivanov, P.; Trifonova, L.

1996-01-01

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

Achievement report on research and development in the Sunshine Project in fiscal 1978. Studies on a hydrogen energy total system; 1978 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1979-03-01

Analysis was made on timing, patterns and scales of introducing hydrogen energy into the Japan's total energy system, and case studies were made on transfer of the comprehensive systems that can be realized in the years of 1985, 2000 and 2025. The basic conception for the analytic method employed a method to analyze and present theoretically the conditions in which prerequisites or results of the estimation can be established, rather than intending elucidation of the estimation itself. An energy model was used for the theoretical means thereof. The objective function to be optimized was assumed to maximize (estimate over the planned period of time) the total effectiveness of the hydrogen energy system converted into the present value being given appropriate discount. The economic performance measures for different secondary energies working as the comparison measures are the limiting production cost of each energy. A consideration was given to the point that the electrolytic hydrogen cannot compete with that made by using the thermo-chemical method (if developed successfully) using heat from high-temperature gas reactor if the fossil fuel price rises sharply. Considerations are also required in replaceability of hydrogen energy with other energies, and hydrogen utilization in petroleum refining. (NEDO)

Total Energy of Charged Black Holes in Einstein-Maxwell-Dilaton-Axion Theory

Directory of Open Access Journals (Sweden)

Murat Korunur

2012-01-01

Full Text Available We focus on the energy content (including matter and fields of the Møller energy-momentum complex in the framework of Einstein-Maxwell-Dilaton-Axion (EMDA theory using teleparallel gravity. We perform the required calculations for some specific charged black hole models, and we find that total energy distributions associated with asymptotically flat black holes are proportional to the gravitational mass. On the other hand, we see that the energy of the asymptotically nonflat black holes diverge in a limiting case.

Relation between total shock energy and mortality in patients with implantable cardioverter-defibrillator.

Science.gov (United States)

Tenma, Taro; Yokoshiki, Hisashi; Mitsuyama, Hirofumi; Watanabe, Masaya; Mizukami, Kazuya; Kamada, Rui; Takahashi, Masayuki; Sasaki, Ryo; Maeno, Motoki; Okamoto, Kaori; Chiba, Yuki; Anzai, Toshihisa

2018-05-15

Implantable Cardioverter-Defibrillator (ICD) shocks have been associated with mortality. However, no study has examined the relation between total shock energy and mortality. The aim of this study is to assess the association of total shock energy with mortality, and to determine the patients who are at risk of this association. Data from 316 consecutive patients who underwent initial ICD implantation in our hospital between 2000 and 2011 were retrospectively studied. We collected shock energy for 3 years from the ICD implantation, and determined the relation of shock energy on mortality after adjusting confounding factors. Eighty-seven ICD recipients experienced shock(s) within 3 years from ICD implantation and 43 patients had died during the follow-up. The amount of shock energy was significantly associated with all-cause death [adjusted hazard ratio (HR) 1.26 (per 100 joule increase), p energy accumulation (≥182 joule) was lower (p energy accumulation (energy accumulation and all-cause death was remarkable in the patients with low left ventricular ejection fraction (LVEF ≤40%) or atrial fibrillation (AF). Increase of shock energy was related to mortality in ICD recipients. This relation was evident in patients with low LVEF or AF. Copyright © 2018 Elsevier B.V. All rights reserved.

A multisite interaction expansion of the total energy in metals

International Nuclear Information System (INIS)

Sowa, E.C.; Gonis, A.

1994-01-01

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

The total flow concept for geothermal energy conversion

Science.gov (United States)

Austin, A. L.

1974-01-01

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

Industry-level total-factor energy efficiency in developed countries: A Japan-centered analysis

International Nuclear Information System (INIS)

Honma, Satoshi; Hu, Jin-Li

2014-01-01

Highlights: • This study compares Japan with other developed countries for energy efficiency at the industry level. • We compute the total-factor energy efficiency (TFEE) for industries in 14 developed countries in 1995–2005. • Energy conservation can be further optimized in Japan’s industry sector. • Japan experienced a slight decrease in the weighted TFEE from 0.986 in 1995 to 0.927 in 2005. • Japan should adapt energy conservation technologies from the primary benchmark countries: Germany, UK, and USA. - Abstract: Japan’s energy security is more vulnerable today than it was before the Fukushima Daiichi nuclear power plant accident in March 2011. To alleviate its energy vulnerability, Japan has no choice but to improve energy efficiency. To aid in this improvement, this study compares Japan’s energy efficiency at the industry level with that of other developed countries. We compute the total-factor energy efficiency (TFEE) of industries in 14 developed countries for 1995–2005 using data envelopment analysis. We use four inputs: labor, capital stock, energy, and non-energy intermediate inputs. Value added is the only relevant output. Results indicate that Japan can further optimize energy conservation because it experienced only a marginal decrease in the weighted TFEE, from 0.986 in 1995 to 0.927 in 2005. To improve inefficient industries, Japan should adapt energy conservation technologies from benchmark countries such as Germany, the United Kingdom, and the United States

Resonance capture reactions with a total energy detector

International Nuclear Information System (INIS)

Macklin, R.L.

1978-01-01

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

Phase change thermal storage for a solar total energy system

Science.gov (United States)

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

1978-01-01

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

Entropic multiple-relaxation-time multirange pseudopotential lattice Boltzmann model for two-phase flow

Science.gov (United States)

Qin, Feifei; Mazloomi Moqaddam, Ali; Kang, Qinjun; Derome, Dominique; Carmeliet, Jan

2018-03-01

An entropic multiple-relaxation-time lattice Boltzmann approach is coupled to a multirange Shan-Chen pseudopotential model to study the two-phase flow. Compared with previous multiple-relaxation-time multiphase models, this model is stable and accurate for the simulation of a two-phase flow in a much wider range of viscosity and surface tension at a high liquid-vapor density ratio. A stationary droplet surrounded by equilibrium vapor is first simulated to validate this model using the coexistence curve and Laplace's law. Then, two series of droplet impact behavior, on a liquid film and a flat surface, are simulated in comparison with theoretical or experimental results. Droplet impact on a liquid film is simulated for different Reynolds numbers at high Weber numbers. With the increase of the Sommerfeld parameter, onset of splashing is observed and multiple secondary droplets occur. The droplet spreading ratio agrees well with the square root of time law and is found to be independent of Reynolds number. Moreover, shapes of simulated droplets impacting hydrophilic and superhydrophobic flat surfaces show good agreement with experimental observations through the entire dynamic process. The maximum spreading ratio of a droplet impacting the superhydrophobic flat surface is studied for a large range of Weber numbers. Results show that the rescaled maximum spreading ratios are in good agreement with a universal scaling law. This series of simulations demonstrates that the proposed model accurately captures the complex fluid-fluid and fluid-solid interfacial physical processes for a wide range of Reynolds and Weber numbers at high density ratios.

Forward elastic scattering and total cross-section at very high energies

International Nuclear Information System (INIS)

Castaldi, R.

1985-01-01

The successful cooling technique of antiproton beams at CERN has recently allowed the acceleration of proton and antiproton bunches simultaneously circulating in opposite directions in the SPS. Hadron-hadron collisions could so be produced at a centre-of-mass energy one order of magnitude higher than previously available, thus opening a new wide range of energies to experimentation. This technique also made it possible to replace one of the two proton beams in the ISR by a beam of antiprotons, allowing a direct precise comparison, by the same detectors, of pp and anti pp processes at the same energies. The recent results are summarized of the forward elastic scattering and total cross-section in this new energy domain. (Mori, K.)

Activities Contributing to Total Energy Expenditure in the United States: Results from the NHAPS Study

Directory of Open Access Journals (Sweden)

Block Gladys

2004-02-01

Full Text Available Abstract Background Physical activity is increasingly recognized as an important factor influencing health and disease status. Total energy expenditure, both low-intensity and high-intensity, contributes to maintenance of healthy body weight. This paper presents the results of a quantitative approach to determining the activities that contribute to total energy expenditure in the United States. Methods Data from the National Human Activity Pattern Survey (NHAPS were used. In 1992–1994 the NHAPS sampled 4,185 females and 3,330 males, aged 18 years and over, weighted to be representative of the 48 contiguous United States. A detailed report of each activity performed in the previous 24 hours was obtained. A score was created for each activity, by multiplying duration and intensity for each individual and summing across individuals. This score was then used to rank each activity according to its contribution to total population energy expenditure, for the total sample and separately for each gender, race, age, region, and season. Results This analysis reveals our society to be primarily sedentary; leisure time physical activity contributed only approximately 5% of the population's total energy expenditure. Not counting sleeping, the largest contributor to energy expenditure was "Driving a car", followed by "Office work" and "Watching TV". Household activities accounted for 20.1% and 33.3% of energy expenditure for males and females respectively. Conclusion The information presented in this paper may be useful in identifying common activities that could be appropriate targets for behavioral interventions to increase physical activity.

Total Corporate social responsibility report 2004. Sharing our energy

International Nuclear Information System (INIS)

2005-05-01

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

Mechanical properties of carbynes investigated by ab initio total-energy calculations

DEFF Research Database (Denmark)

Castelli, Ivano E.; Salvestrini, Paolo; Manini, Nicola

2012-01-01

As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab initio total-energy simulations. In particular, we evaluate their linear...

Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search.

Science.gov (United States)

Skripnikov, L V

2016-12-07

A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of key importance to interpret the experiments in the search for violation of time-reversal (T) and spatial-parity (P) symmetries of fundamental interactions in terms of the electron electric dipole moment, eEDM, and dimensionless constant, k T,P , characterizing the strength of the T,P-odd pseudoscalar-scalar electron-nucleus neutral current interaction. The ACME collaboration has recently improved limits on these quantities using a beam of ThO molecules in the electronic H 3 Δ 1 state [J. Baron et al., Science 343, 269 (2014)]. We apply the combined direct relativistic 4-component and two-step relativistic pseudopotential/restoration approaches to a benchmark calculation of the effective electric field, E eff , parameter of the T,P-odd pseudoscalar-scalar interaction, W T,P , and hyperfine structure constant in Δ13 state of the ThO molecule. The first two parameters are required to interpret the experimental data in terms of the eEDM and k T,P constant. We have investigated the electron correlation for all of the 98 electrons of ThO simultaneously up to the level of the coupled cluster with single, double, and noniterative triple amplitudes, CCSD(T), theory. Contributions from iterative triple and noniterative quadruple cluster amplitudes for the valence electrons have been also treated. The obtained values are E eff = 79.9 GV/cm, W T,P = 113.1 kHz. The theoretical uncertainty of these values is estimated to be about two times smaller than that of our previous study [L. V. Skripnikov and A. V. Titov, J. Chem. Phys., 142, 024301 (2015)]. It was found that the correlation of the inner- and outer-core electrons contributes 9% to the effective electric field. The values of the molecule frame dipole moment of the Δ13 state and the H 3 Δ 1 →X 1 Σ + transition energy of ThO calculated within the same methods are in a very good agreement with the experiment.

Changes in Energy Cost and Total External Work of Muscles in Elite Race Walkers Walking at Different Speeds

Directory of Open Access Journals (Sweden)

Chwała Wiesław

2014-12-01

Full Text Available The aim of the study was to assess energy cost and total external work (total energy depending on the speed of race walking. Another objective was to determine the contribution of external work to total energy cost of walking at technical, threshold and racing speed in elite competitive race walkers.

Contribution of on-site Coulomb repulsion energy to structural, electronic and magnetic properties of SrCoO3 for different space groups: first-principles study

Directory of Open Access Journals (Sweden)

Muhammady Shibghatullah

2018-03-01

Full Text Available We report structural, electronic, and magnetic properties of SrCoO3 in Pm3̅m and P4/mbm space groups, which are calculated by using generalized gradient approximation corrected with on-site Coulomb repulsion U and exchange energies J. The cubic lattice parameter a and local magnetic moments of Co (μCo are optimized by varying U at Co 3d site. Employing ultrasoft pseudopotential, the values of U = 8 eV and J = 0.75 eV are the best choice for Pm3̅m space group. We found the value of μCo = 2.56 μB, which is consistent with the previous results. It was also found that Co 3d, hybridized with O 2p, is the main contributor to ferromagnetic metallic properties. Besides, norm-conserving pseudopotential promotes a, which is in good agreement with experimental result. However, it is not suitable for P4/mbm space group. By using ultrasoft pseudopotential, the value of U = 3 eV (J = 0.75 is the most suitable for P4/mbm group. Ferromagnetic metallic properties, Jahn-Teller distortion, and reasonable lattice parameters have been obtained. This study shows that U has significant contribution to the calculated properties and also points out that P4/mbm space group with US-PP is suitable to describe experimental results.

Achievement report for fiscal 1982 on Sunshine Program-entrusted research and development. Research on hydrogen energy total system; 1982 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1983-03-01

In this research on a hydrogen energy total system, studies are conducted on the plan of a hydrogen energy proving pilot base and on hydrogen as fuel for automobiles. It is estimated that the construction of a hydrogen energy proving pilot base will cost 7.125-billion yen in total. The sum includes 6.410-billion yen for the construction of a system on an island named Island A, 500-million yen for structures on an island named Island B, and 215-million yen for the construction of a marine transportation system between the two islands. Large shares will go to a hydroelectric power plant and a hydrogen liquefaction system, the two occupying approximately half of the total sum. In the study of hydrogen as fuel for automobiles, it is concluded that hydrogen is advantageously employed as fuel for automobiles. When comparison is made in terms of heat value, it is found that even a hydrogen engine which is a mere modification of a currently used engine is comparable to the currently used engine in terms of performance. As for abnormal combustion, a hydrogen/air 2-system injection method is contrived, and this solves the problem almost completely. Cryogenic hydrogen is advantageous in both NOx emission and heat efficiency though within certain limitations. From the viewpoint of safety, the recommended automobile fuel structural formula is GH{sub 2}(MH). (NEDO)

A comment on the calculation of the total-factor energy efficiency (TFEE) index

International Nuclear Information System (INIS)

Chang, Ming-Chung

2013-01-01

This study provides a no-output growth model to conveniently calculate the total-factor energy efficiency (TFEE) index originally proposed by Hu and Wang (2006). The TFEE index serves as a very well-known and popular means of estimating overall energy efficiency. While many previous studies have used the indicator of energy inefficiency, including the indicator of energy intensity (i.e., Energy input/Gross Domestic Product (GDP)) to measure energy efficiency, Hu and Kao (2007) point out that the indicator of energy intensity is not only a partial-factor energy efficiency indicator, but that this partial-factor ratio is also quite inappropriate for analyzing the impact of changing energy use over time. The TFEE index overcomes the disadvantage of the indicator of energy intensity as mentioned above, but five steps are needed to calculate the TFEE score. In this study, we provide a no-output growth model to conveniently calculate the TFEE score. Furthermore, we extend this no-output growth model to an output growth model. This study concludes that the output growth model not only makes it easier to calculate the TFEE index than the model proposed by Hu and Wang (2006) and Hu and Kao (2007), but that it can also obtain better TFEE scores. - Highlights: ► The comment is on the total-factor energy efficiency (TFEE) index. ► Two extension models are no-output growth model and output growth model. ► The model in this study makes it easier to calculate the TFEE index.

Institutional applications of solar total-energy systems. Draft final report. Volume 2. Appendixes

Energy Technology Data Exchange (ETDEWEB)

None

1978-07-01

The appendices present the analytical basis for the analysis of solar total energy (STE) systems. A regional-climate model and a building-load requirements model are developed, along with fuel-price scenarios. Life-cycle costs are compared for conventional-utility, total energy, and STE systems. Thermal STE system design trade-offs are performed and thermal STE system performance is determined. The sensitivity of STE competitiveness to fuel prices is examined. The selection of the photovoltaic array is briefly discussed. The institutional-sector decision processes are analyzed. Hypothetical regional back-up rates and electrical-energy costs are calculated. The algorithms and equations used in operating the market model are given, and a general methodology is developed for projecting the size of the market for STE systems and applied to each of 8 institutional subsectors. (LEW)

Improving the Energy Performance in Existing Non-residential Buildings in Denmark Using the Total Concept Method

DEFF Research Database (Denmark)

Krawczyk, Pawel; Afshari, Alireza; Simonsen, Graves K.

2016-01-01

This project is a part of a joint European research project, “Total Concept”, which is a method for improving the energy performance in existing non-Residential buildings. The method focuses on achieving maximum energy savings in a Building within the profitability frames set by a building owner...... was to form a package of measures for an energy performance improvement in the building based on the Total Concept method. This paper presents results from recently analyzed data on two renovated Danish buildings according to the rules of “Total Concept” method. According to the estimation done based...

The total kinetic energy release in the fast neutron-induced fission of {sup 232}Th

Energy Technology Data Exchange (ETDEWEB)

King, Jonathan; Yanez, Ricardo; Loveland, Walter; Barrett, J. Spencer; Oscar, Breland [Oregon State University, Dept. of Chemistry, Corvallis, OR (United States); Fotiades, Nikolaos; Tovesson, Fredrik; Young Lee, Hye [Los Alamos National Laboratory, Physics Division, Los Alamos, NM (United States)

2017-12-15

The post-emission total kinetic energy release (TKE) in the neutron-induced fission of {sup 232}Th was measured (using white spectrum neutrons from LANSCE) for neutron energies from E{sub n} = 3 to 91 MeV. In this energy range the average post-neutron total kinetic energy release decreases from 162.3 ± 0.3 at E{sub n} = 3 MeV to 154.9 ± 0.3 MeV at E{sub n} = 91 MeV. Analysis of the fission mass distributions indicates that the decrease in TKE with increasing neutron energy is a combination of increasing yields of symmetric fission (which has a lower associated TKE) and a decrease in the TKE release in asymmetric fission. (orig.)

Changes in Intakes of Total and Added Sugar and their Contribution to Energy Intake in the U.S.

Directory of Open Access Journals (Sweden)

Won O. Song

2010-08-01

Full Text Available This study was designed to document changes in total sugar intake and intake of added sugars, in the context of total energy intake and intake of nutrient categories, between the 1970s and the 1990s, and to identify major food sources contributing to those changes in intake. Data from the NHANES I and III were analyzed to obtain nationally representative information on food consumption for the civilian, non-institutionalized population of the U.S. from 1971 to 1994. In the past three decades, in addition to the increase in mean intakes of total energy, total sugar, added sugars, significant increases in the total intake of carbohydrates and the proportion of carbohydrates to the total energy intake were observed. The contribution of sugars to total carbohydrate intake decreased in both 1–18 y and 19+ y age subgroups, and the contribution of added sugars to the total energy intake did not change. Soft drinks/fluid milk/sugars and cakes, pastries, and pies remained the major food sources for intake of total sugar, total carbohydrates, and total energy during the past three decades. Carbonated soft drinks were the most significant sugar source across the entire three decades. Changes in sugar consumption over the past three decades may be a useful specific area of investigation in examining the effect of dietary patterns on chronic diseases.

Total reflection coefficients of low-energy photons presented as universal functions

Directory of Open Access Journals (Sweden)

Ljubenov Vladan

2010-01-01

Full Text Available The possibility of expressing the total particle and energy reflection coefficients of low-energy photons in the form of universal functions valid for different shielding materials is investigated in this paper. The analysis is based on the results of Monte Carlo simulations of photon reflection by using MCNP, FOTELP, and PENELOPE codes. The normal incidence of the narrow monoenergetic photon beam of the unit intensity and of initial energies from 20 keV up to 100 keV is considered, and particle and energy reflection coefficients from the plane homogenous targets of water, aluminum, and iron are determined and compared. The representations of albedo coefficients on the initial photon energy, on the probability of large-angle photon scattering, and on the mean number of photon scatterings are examined. It is found out that only the rescaled albedo coefficients dependent on the mean number of photon scatterings have the form of universal functions and these functions are determined by applying the least square method.

Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

Science.gov (United States)

Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

2018-03-01

The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

Comparison of stress and total energy methods for calculation of elastic properties of semiconductors.

Science.gov (United States)

Caro, M A; Schulz, S; O'Reilly, E P

2013-01-16

We explore the calculation of the elastic properties of zinc-blende and wurtzite semiconductors using two different approaches: one based on stress and the other on total energy as a function of strain. The calculations are carried out within the framework of density functional theory in the local density approximation, with the plane wave-based package VASP. We use AlN as a test system, with some results also shown for selected other materials (C, Si, GaAs and GaN). Differences are found in convergence rate between the two methods, especially in low symmetry cases, where there is a much slower convergence for total energy calculations with respect to the number of plane waves and k points used. The stress method is observed to be more robust than the total energy method with respect to the residual error in the elastic constants calculated for different strain branches in the systems studied.

Projection potentials and angular momentum convergence of total energies in the full-potential Korringa–Kohn–Rostoker method

International Nuclear Information System (INIS)

Zeller, Rudolf

2013-01-01

Although the full-potential Korringa–Kohn–Rostoker Green function method yields accurate results for many physical properties, the convergence of calculated total energies with respect to the angular momentum cutoff is usually considered to be less satisfactory. This is surprising because accurate single-particle energies are expected if they are calculated by Lloyd’s formula and because accurate densities and hence accurate double-counting energies should result from the total energy variational principle. It is shown how the concept of projection potentials can be used as a tool to analyse the convergence behaviour. The key factor blocking fast convergence is identified and it is illustrated how total energies can be improved with only a modest increase of computing time. (paper)

Regional total factor energy efficiency: An empirical analysis of industrial sector in China

International Nuclear Information System (INIS)

Wang, Zhao-Hua; Zeng, Hua-Lin; Wei, Yi-Ming; Zhang, Yi-Xiang

2012-01-01

Highlights: ► We evaluate energy efficiency under framework of total factor energy efficiency. ► We focus on industry sector of China. ► We use statistical data of industrial enterprises above designated size. ► Energy efficiencies among regions in China are obvious because of technological differences. ► Large scale of investment should be stopped especially in central and western regions. -- Abstract: The rapid growth of the Chinese economy has resulted in great pressure on energy consumption, especially the energy intensive sector – the industrial sector. To achieve sustainable development, China has to consider how to promote energy efficiency to meet the demand of Chinese rapid economic growth, as the energy efficiency of China is relatively low. Meanwhile, the appeal of energy saving and emission reduction has been made by the Chinese central government. Therefore, it is important to evaluate the energy efficiency of industrial sector in China and to assess efficiency development probabilities. The framework of total factor energy efficiency index is adopted to determine the discrepancy of energy efficiency in Chinese industrial sector based on the provincial statistical data of industrial enterprises above designated size in 30 provinces from 2005 to 2009, with gross industrial output as the output value and energy consumption, average remaining balance of capital assets and average amount of working force as the input values. Besides, in considerate of the regional divide of China, namely eastern, central, and western, and economic development differences in each region, energy efficiency of each region is also analysed in this paper. The results show that there is room for China to improve its energy efficiency, especially western provinces which have large amount of energy input excess. Generally speaking, insufficient technological investment and fail of reaching best scale of manufacture are two factors preventing China from energy

Framework for Evaluating the Total Value Proposition of Clean Energy Technologies

Energy Technology Data Exchange (ETDEWEB)

Pater, J. E.

2006-02-01

Conventional valuation techniques fail to include many of the financial advantages of clean energy technologies. By omitting benefits associated with risk management, emissions reductions, policy incentives, resource use, corporate social responsibility, and societal economic benefits, investors and firms sacrifice opportunities for new revenue streams and avoided costs. In an effort to identify some of these externalities, this analysis develops a total value proposition for clean energy technologies. It incorporates a series of values under each of the above categories, describing the opportunities for recapturing investments throughout the value chain. The framework may be used to create comparable value propositions for clean energy technologies supporting investment decisions, project siting, and marketing strategies. It can also be useful in policy-making decisions.

On the coherence between high-energy total cross-section data when compared with general principles

International Nuclear Information System (INIS)

Gauron, P.; Nicolescu, B.; Paris-6 Univ., 75

1993-12-01

An essential model is performed - an independent study of the internal coherence between high-energy total cross-section data by using classes of functions satisfying general principles. The study is practically independent of the ρ-parameter values. This general analysis, made without any fit, reveals certain inconsistencies in the existing set of high-energy data. Some of these inconsistencies are eliminated by giving up arbitrary assumptions sometimes made in 'fitology'. It is shown that the ln 2 s increase of total cross-sections at high energies is clearly favoured when compared with other possible behaviours. (authors). 16 refs., 3 figs

A prospective study of spine fractures diagnosed by total spine computed tomography in high energy trauma patients

International Nuclear Information System (INIS)

Takami, Masanari; Nohda, Kazuhiro; Sakanaka, Junya; Nakamura, Masamichi; Yoshida, Munehito

2011-01-01

Since it is known to be impossible to identify spinal fractures in high-energy trauma patients the primary trauma evaluation, we have been performing total spine computed tomography (CT) in high-energy trauma cases. We investigated the spinal fractures that it was possible to detect by total spine CT in 179 cases and evaluated the usefulness of total spine CT prospectively. There were 54 (30.2%) spinal fractures among the 179 cases. Six (37.5%) of the 16 cervical spine fractures that were not detected on plain X-ray films were identified by total spine CT. Six (14.0%) of 43 thoracolumbar spine fractures were considered difficult to diagnose based on the clinical findings if total spine CT had not been performed. We therefore concluded that total spine CT is very useful and should be performed during the primary trauma evaluation in high-energy trauma cases. (author)

Total electron scattering cross sections for methanol and ethanol at intermediate energies

International Nuclear Information System (INIS)

Silva, D G M; Tejo, T; Lopes, M C A; Muse, J; Romero, D; Khakoo, M A

2010-01-01

Absolute total cross section (TCS) measurements of electron scattering from gaseous methanol and ethanol molecules are reported for impact energies from 60 to 500 eV, using the linear transmission method. The attenuation of intensity of a collimated electron beam through the target volume is used to determine the absolute TCS for a given impact energy, using the Beer-Lambert law to first approximation. Besides these experimental measurements, we have also determined TCS using the additivity rule.

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

International Nuclear Information System (INIS)

Hackl, Roman; Andersson, Eva; Harvey, Simon

2011-01-01

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

The conditions for total reflection of low-energy atoms from crystal surfaces

International Nuclear Information System (INIS)

Hou, M.; Robinson, M.T.

1978-01-01

The critical angles for the total reflection of low-energy particles from Cu rows and (001) planes have been investigated, using the binary collision approximation computer simulation code MARLOWE Breakthrough angles were evaluated for H, N, Ne, Ar, Cu, Xe, and Au in the energy range from 0.1 to 7.5 keV. In both the axial and the planar cases, recoiling of the target atoms lowers the energy barrier which the target surface presents to the heavy projectiles. Consequently, the breakthrough angles are reduced for heavy projectiles below the values expected either from observations on light projectiles or from analytical channeling theory. (orig.) [de

Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments

International Nuclear Information System (INIS)

Dardouri, Riadh; Habli, Héla; Oujia, Brahim; Gadéa, Florent Xavier

2012-01-01

Graphical abstract: We present the resulting 12 1 Σ + diabatic potential energy curves where they are labeled D 1 for the ionic Li − K + and D 2 to D 12 for other. Highlights: ► Our ab initio study has been conducted for 48 electronic states of LiK molecule. ► We use pseudo-potential for the core and large basis sets for the Rydberg states. ► The calculations rely on ab initio pseudo-potential and full valence CI approaches. ► Diabatic potentials are analyzed, revealing the strong imprint of the ionic 1 Σ + state. - Abstract: For all states dissociating below the ionic limit Li − K + , we perform an adiabatic and diabatic study for 1 Σ + electronic states dissociating into K (4s, 4p, 4d, 5s, 5p, 5d, 6s) + Li (2s, 2p, 3s). Furthermore, we present the adiabatic results for the 1–11 3 Σ, 1–8 1,3 Π and 1–4 1,3 Δ states. The present calculations on the KLi molecule are complementary to previous theoretical work on this system, including recently observed electronic states that had not been calculated previously. The calculations rely on an ab initio pseudo-potential, Core Polarization Potential operators for the core–valence correlation and full valence CI approaches, combined to an efficient diabatization procedure. For the low-lying states, our spectroscopic constants and vibrational level spacing are in good agreement with the available experimental data. Diabatic potentials and permanent dipole moments are analyzed, revealing the strong imprint of the ionic state in the 1 Σ + adiabatic states.

Electron and positron characteristics in Al_xIn_1_−_xSb: A comparative study performed by using a pseudopotential approach

International Nuclear Information System (INIS)

Fares, Nour El-Houda; Bouarissa, Nadir

2016-01-01

Highlights: • Electron band structure and related properties in Al_xIn_1_−_xSb. • Positron characteristics in Al_xIn_1_−_xSb. • Differences and similarities between electronic and positronic properties in Al_xIn_1_−_xSb. • Investigation of positron annihilation in Al_xIn_1_−_xSb semiconductor alloys. - Abstract: Based on a pseudopotential approach under the virtual-crystal approximation, the electron and positron band structures and their derived properties have been investigated for zinc-blende Al_xIn_1_−_xSb ternary semiconductor alloys. The effect of compositional disorder on electron and positron band structures has been examined and discussed. Moreover, the differences and the similarities between electron and positron characteristics in the material system of interest have been analyzed. The present study reveals possibilities for the investigation of the positron annihilation in Al_xIn_1_−_xSb.

The variation of the energy gap with composition in the quaternary alloy system ZnTe/sub 1-2x/S/sub x/Se/sub x/

International Nuclear Information System (INIS)

Litvinchuk, A.P.; Vitrikhovskii, N.I.

1983-01-01

Studies are presented of photoluminescence spectra of the quaternary ZnTe/sub 1-2x/S/sub x/Se/sub x/ alloy (x = 0.05, 0.10, and 0.20). The determination of the energy gap variation with composition at 85 K is given. The nonlinear variation of the energy gap E/sub g/ with composition for the quaternary ZnTe/sub 1-2x/S/sub x/Se/sub x/ alloy may be interpreted in the framework of the pseudopotential theory based on the nonlinear crystal field properties

Optimization of stand-alone photovoltaic systems with hydrogen storage for total energy self-sufficiency

Energy Technology Data Exchange (ETDEWEB)

Lund, P D [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

1991-01-01

A new method for optimization of stand-alone photovoltaic-hydrogen energy systems is presented. The methodology gives the optimum values for the solar array and hydrogen storage size for any given system configuration and geographical site. Sensitivity analyses have been performed to study the effect of subsystem efficiencies on the total system performance and sizing, and also to identify possibilities for further improvements. Optimum system configurations have also been derived. The results indicate that a solar-hydrogen energy system is a very promising potential alternative for low power applications requiring a total electricity self-sufficiency. (Author).

Measurement of the total solar energy transmittance (g-value) for conventional glazings

DEFF Research Database (Denmark)

Duer, Karsten

1998-01-01

Three different glazings have been investigated in the Danish experimental setup METSET. (A device for calorimetric measurement of total solar energy transmittance - g-value).The purpose of the measurements is to increase the confidence in the calorimetric measurements. This is done by comparison...

Hadronic multiplicity and total cross-section: a new scaling in wide energy range

International Nuclear Information System (INIS)

Kobylinsky, N.A.; Martynov, E.S.; Shelest, V.P.

1983-01-01

The ratio of mean multiplicity to total cross-section is shown to be the same for all the Regge models and to rise with energy as lns which is confirmed by experimental data. Hence, a power of multiplicity growth is unambiguously connected with that of total cross-section. As regards the observed growth, approximately ln 2 s, it tells about a dipole character of pomeron singularity

Total cross section for hadron production by e+e- annihilation at PETRA energies

International Nuclear Information System (INIS)

Bartel, W.; Canzler, T.; Cords, D.; Dittmann, P.; Eichler, R.; Felst, R.; Godermann, E.; Haidt, D.; Kawabata, S.; Krehbiel, H.

1979-10-01

The cross section for the process e + e - → multihadrons has been measured at the highest PETRA energies. We measure R (the total cross-section in units of the point-like e + e - → μ + μ - cross-section) to be 2.9 +- 0.7, 4.0 +- 0.5, 4.6 +- 0.4 and 4.2 +- 0.6 at √s of 22, 27.7, 30 and 31.6 GeV respectively. The observed average multiplicity, together with existing low energy data, indicate a rapid increase in multiplicity with increasing energy. (orig.)

Total cross sections for electron scattering by CO2 molecules in the energy range 400 endash 5000 eV

International Nuclear Information System (INIS)

Garcia, G.; Manero, F.

1996-01-01

Total cross sections for electron scattering by CO 2 molecules in the energy range 400 endash 5000 eV have been measured with experimental errors of ∼3%. The present results have been compared with available experimental and theoretical data. The dependence of the total cross sections on electron energy shows an asymptotic behavior with increasing energies, in agreement with the Born-Bethe approximation. In addition, an analytical formula is provided to extrapolate total cross sections to higher energies. copyright 1996 The American Physical Society

Near-term Forecasting of Solar Total and Direct Irradiance for Solar Energy Applications

Science.gov (United States)

Long, C. N.; Riihimaki, L. D.; Berg, L. K.

2012-12-01

Integration of solar renewable energy into the power grid, like wind energy, is hindered by the variable nature of the solar resource. One challenge of the integration problem for shorter time periods is the phenomenon of "ramping events" where the electrical output of the solar power system increases or decreases significantly and rapidly over periods of minutes or less. Advance warning, of even just a few minutes, allows power system operators to compensate for the ramping. However, the ability for short-term prediction on such local "point" scales is beyond the abilities of typical model-based weather forecasting. Use of surface-based solar radiation measurements has been recognized as a likely solution for providing input for near-term (5 to 30 minute) forecasts of solar energy availability and variability. However, it must be noted that while fixed-orientation photovoltaic panel systems use the total (global) downwelling solar radiation, tracking photovoltaic and solar concentrator systems use only the direct normal component of the solar radiation. Thus even accurate near-term forecasts of total solar radiation will under many circumstances include inherent inaccuracies with respect to tracking systems due to lack of information of the direct component of the solar radiation. We will present examples and statistical analyses of solar radiation partitioning showing the differences in the behavior of the total/direct radiation with respect to the near-term forecast issue. We will present an overview of the possibility of using a network of unique new commercially available total/diffuse radiometers in conjunction with a near-real-time adaptation of the Shortwave Radiative Flux Analysis methodology (Long and Ackerman, 2000; Long et al., 2006). The results are used, in conjunction with persistence and tendency forecast techniques, to provide more accurate near-term forecasts of cloudiness, and both total and direct normal solar irradiance availability and

Evaluation of total energy-rate feedback for glidescope tracking in wind shear

Science.gov (United States)

Belcastro, C. M.; Ostroff, A. J.

1986-01-01

Low-altitude wind shear is recognized as an infrequent but significant hazard to all aircraft during take-off and landing. A total energy-rate sensor, which is potentially applicable to this problem, has been developed for measuring specific total energy-rate of an airplane with respect to the air mass. This paper presents control system designs, with and without energy-rate feedback, for the approach to landing of a transport airplane through severe wind shear and gusts to evaluate application of this sensor. A system model is developed which incorporates wind shear dynamics equations with the airplance equations of motion, thus allowing the control systems to be analyzed under various wind shears. The control systems are designed using optimal output feedback and are analyzed using frequency domain control theory techniques. Control system performance is evaluated using a complete nonlinear simulation of the airplane and a severe wind shear and gust data package. The analysis and simulation results indicate very similar stability and performance characteristics for the two designs. An implementation technique for distributing the velocity gains between airspeed and ground speed in the simulation is also presented, and this technique is shown to improve the performance characteristics of both designs.

Sorting through the many total-energy-cycle pathways possible with early plug-in hybrids

International Nuclear Information System (INIS)

Gaines, L.; Burnham, A.; Rousseau, A.; Santini, D.

2008-01-01

Using the 'total energy cycle' methodology, we compare U.S. near term (to ∼2015) alternative pathways for converting energy to light-duty vehicle kilometers of travel (VKT) in plug-in hybrids (PHEVs), hybrids (HEVs), and conventional vehicles (CVs). For PHEVs, we present total energy-per-unit-of-VKT information two ways (1) energy from the grid during charge depletion (CD); (2) energy from stored on-board fossil fuel when charge sustaining (CS). We examine 'incremental sources of supply of liquid fuel such as (a) oil sands from Canada, (b) Fischer-Tropsch diesel via natural gas imported by LNG tanker, and (c) ethanol from cellulosic biomass. We compare such fuel pathways to various possible power converters producing electricity, including (i) new coal boilers, (ii) new integrated, gasified coal combined cycle (IGCC), (iii) existing natural gas fueled combined cycle (NGCC), (iv) existing natural gas combustion turbines, (v) wood-to-electricity, and (vi) wind/solar. We simulate a fuel cell HEV and also consider the possibility of a plug-in hybrid fuel cell vehicle (FCV). For the simulated FCV our results address the merits of converting some fuels to hydrogen to power the fuel cell vs. conversion of those same fuels to electricity to charge the PHEV battery. The investigation is confined to a U.S. compact sized car (i.e. a world passenger car). Where most other studies have focused on emissions (greenhouse gases and conventional air pollutants), this study focuses on identification of the pathway providing the most vehicle kilometers from each of five feedstocks examined. The GREET 1.7 fuel cycle model and the new GREET 2.7 vehicle cycle model were used as the foundation for this study. Total energy, energy by fuel type, total greenhouse gases (GHGs), volatile organic compounds (VOC), carbon monoxide (CO), nitrogen oxides (NO x ), fine particulate (PM2.5) and sulfur oxides (SO x ) values are presented. We also isolate the PHEV emissions contribution from varying k

Cesium under pressure: First-principles calculation of the bcc-to-fcc phase transition

Science.gov (United States)

Carlesi, S.; Franchini, A.; Bortolani, V.; Martinelli, S.

1999-05-01

In this paper we present the ab initio calculation of the structural properties of cesium under pressure. The calculation of the total energy is done in the local-density approximation of density-functional theory, using a nonlocal pseudopotential including the nonlinear core corrections proposed by Louie et al. The calculation of the pressure-volume diagram for both bcc and fcc structures allows us to prove that the transition from bcc to fcc structure is a first-order transition.

Prediction equation for estimating total daily energy requirements of special operations personnel.

Science.gov (United States)

Barringer, N D; Pasiakos, S M; McClung, H L; Crombie, A P; Margolis, L M

2018-01-01

Special Operations Forces (SOF) engage in a variety of military tasks with many producing high energy expenditures, leading to undesired energy deficits and loss of body mass. Therefore, the ability to accurately estimate daily energy requirements would be useful for accurate logistical planning. Generate a predictive equation estimating energy requirements of SOF. Retrospective analysis of data collected from SOF personnel engaged in 12 different SOF training scenarios. Energy expenditure and total body water were determined using the doubly-labeled water technique. Physical activity level was determined as daily energy expenditure divided by resting metabolic rate. Physical activity level was broken into quartiles (0 = mission prep, 1 = common warrior tasks, 2 = battle drills, 3 = specialized intense activity) to generate a physical activity factor (PAF). Regression analysis was used to construct two predictive equations (Model A; body mass and PAF, Model B; fat-free mass and PAF) estimating daily energy expenditures. Average measured energy expenditure during SOF training was 4468 (range: 3700 to 6300) Kcal·d- 1 . Regression analysis revealed that physical activity level ( r  = 0.91; P  plan appropriate feeding regimens to meet SOF nutritional requirements across their mission profile.

Low-dose dual-energy cone-beam CT using a total-variation minimization algorithm

International Nuclear Information System (INIS)

Min, Jong Hwan

2011-02-01

Dual-energy cone-beam CT is an important imaging modality in diagnostic applications, and may also find its use in other application such as therapeutic image guidance. Despite of its clinical values, relatively high radiation dose of dual-energy scan may pose a challenge to its wide use. In this work, we investigated a low-dose, pre-reconstruction type of dual-energy cone-beam CT (CBCT) using a total-variation minimization algorithm for image reconstruction. An empirical dual-energy calibration method was used to prepare material-specific projection data. Raw data at high and low tube voltages are converted into a set of basis functions which can be linearly combined to produce material-specific data using the coefficients obtained through the calibration process. From much fewer views than are conventionally used, material specific images are reconstructed by use of the total-variation minimization algorithm. An experimental study was performed to demonstrate the feasibility of the proposed method using a micro-CT system. We have reconstructed images of the phantoms from only 90 projections acquired at tube voltages of 40 kVp and 90 kVp each. Aluminum-only and acryl-only images were successfully decomposed. We evaluated the quality of the reconstructed images by use of contrast-to-noise ratio and detectability. A low-dose dual-energy CBCT can be realized via the proposed method by greatly reducing the number of projections

Electronic band structure of lithium, sodium and potassium fluorides

International Nuclear Information System (INIS)

Jouanin, C.; Albert, J.P.; Gout, C.

1975-01-01

A mixed tight-binding, pseudopotential method is proposed to calculate the energy band structure of large-gap crystals and is tested here on LiF, NaF and KF. Three-centre terms are included in the determination of the valence bands by the tight-binding method and for the conduction bands we use a pseudopotential model proposed by Bassani and Giuliano, modified for the positive ions. By taking into account the polarization corrections, transitions calculated from the energy band structures are compared with experimental data and the agreement is generally good

Priority listing of industrial processes by total energy consumption and potential for savings. Final report

Energy Technology Data Exchange (ETDEWEB)

Streb, A.J.

1977-01-01

A survey of eight of the most energy-intensive segments of the U.S. industry is made to quantify the energy consumed in the principal process units, to identify areas in which significant improvement appear possible, and to rank the process units in terms of total energy consumption and the potential for improvement. Data on the steel, paper, aluminum, textile, cement, and glass industries, petroleum refineries, and olefins and derivative products industries were compiled to help plan the development of new energy sources and to provide targets for energy conservation activities. (MCW)

Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes

International Nuclear Information System (INIS)

Mercero, Jose M.; Mujika, Jon I.; Matxain, Jon M.; Lopez, Xabier; Ugalde, Jesus M.

2003-01-01

A sequential ligand addition to the aluminum (III) cation has been studied using the B3LYP functional and a combined all-electron/pseudopotentials basis set. The aluminum complexes are compared with analogous magnesium (II) complexes. Different thermodynamical data, such as incremental binding energies, enthalpies, entropies and free energies, are presented for these addition reactions. While the magnesium (II) cation can only accommodate three negatively charged ligands, aluminum (III) accommodates four even after including bulk solvent effects. The main differences between both cations complexing with the neutral ligands, is that aluminum (III) is not able to form complexes with methanol until the number of methanol ligands is equal to 3. Magnesium (II) prefers to bind methanol and formamide when the number of ligands is small, while aluminum prefers formamide. For the largest complexes both cations prefer to bind water

Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments

Energy Technology Data Exchange (ETDEWEB)

Dardouri, Riadh, E-mail: dardouririad@yahoo.fr [Laboratoire de Physique Quantique, Faculte des Sciences de Monastir, Avenue de l' Environnement, 5019 Monastir (Tunisia); Habli, Hela [Laboratoire de Physique Quantique, Faculte des Sciences de Monastir, Avenue de l' Environnement, 5019 Monastir (Tunisia); Oujia, Brahim; Gadea, Florent Xavier [Laboratoire de Chimie et Physique Quantique, UMR 5626 du CNRS, Universite de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex 4 (France)

2012-05-03

Graphical abstract: We present the resulting 12 {sup 1}{Sigma}{sup +} diabatic potential energy curves where they are labeled D{sub 1} for the ionic Li{sup -}K{sup +} and D{sub 2} to D{sub 12} for other. Highlights: Black-Right-Pointing-Pointer Our ab initio study has been conducted for 48 electronic states of LiK molecule. Black-Right-Pointing-Pointer We use pseudo-potential for the core and large basis sets for the Rydberg states. Black-Right-Pointing-Pointer The calculations rely on ab initio pseudo-potential and full valence CI approaches. Black-Right-Pointing-Pointer Diabatic potentials are analyzed, revealing the strong imprint of the ionic {sup 1}{Sigma}{sup +} state. - Abstract: For all states dissociating below the ionic limit Li{sup -}K{sup +}, we perform an adiabatic and diabatic study for {sup 1}{Sigma}{sup +} electronic states dissociating into K (4s, 4p, 4d, 5s, 5p, 5d, 6s) + Li (2s, 2p, 3s). Furthermore, we present the adiabatic results for the 1-11 {sup 3}{Sigma}, 1-8 {sup 1,3}{Pi} and 1-4 {sup 1,3}{Delta} states. The present calculations on the KLi molecule are complementary to previous theoretical work on this system, including recently observed electronic states that had not been calculated previously. The calculations rely on an ab initio pseudo-potential, Core Polarization Potential operators for the core-valence correlation and full valence CI approaches, combined to an efficient diabatization procedure. For the low-lying states, our spectroscopic constants and vibrational level spacing are in good agreement with the available experimental data. Diabatic potentials and permanent dipole moments are analyzed, revealing the strong imprint of the ionic state in the {sup 1}{Sigma}{sup +} adiabatic states.

Energy gaps, effective masses and ionicity of AlxGa1-xSb ternary semiconductor alloys

Science.gov (United States)

Bouarissa, N.; Boucenna, M.; Saib, S.; Siddiqui, S. A.

2017-12-01

A pseudopotential calculation of the electronic structure of AlxGa1-xSb ternary alloys in the zinc-blende structure has been performed. The compositional dependence of energy gaps, electron and heavy hole effective masses and ionicity of the material system of interest have been examined and discussed. Special attention has been given to the effect of the alloy disorder on the direct (Γ-Γ) bandgap energy. It is found that all features of interest vary monotonically with increasing the Al concentration x. Besides, bandgap bowing parameters and extent of the direct-to-indirect bandgap transition have been determined. Our findings agree generally well with the data reported in the literature. Trends in ionicity are found to be consistent with the Phillips ionicity scale.

Ab initio studies of magnetic anisotropy energy in highly Co-doped ZnO

Energy Technology Data Exchange (ETDEWEB)

Łusakowski, A., E-mail: lusak@ifpan.edu.pl [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, PL-02668 Warsaw (Poland); Szuszkiewicz, W. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, PL-02668 Warsaw (Poland); Faculty of Mathematics and Natural Sciences, University of Rzeszów, ul. S. Pigonia 1, PL-35959 Rzeszów (Poland)

2017-03-15

Density functional theory (DFT) calculations of the energy of magnetic anisotropy for diluted magnetic semiconductor (Zn,Co)O were performed using OpenMX package with fully relativistic pseudopotentials. The analysis of the band spin-orbit interaction and the magnetic ion's surrounding on magnetic anisotropy have been provided. As a result, the calculations show that the magnetic anisotropy in (Zn,Co)O solid solution, mainly of the single ion anisotropy type has been caused by Co ions. - Highlights: • The magnetic anisotropy in (Zn,Co)O is mainly due to anisotropy of single cobalt ion. • The magnetic anisotropy of (Zn,Co)O strongly depends on the nearest neighborhood of magnetic ion including local lattice deformations. • For (Zn,Co)O the energy of magnetic anisotropy is described by second order terms in magnetization.

Dependence of the quasipotential on the total energy of a two-particle system

International Nuclear Information System (INIS)

Kapshai, V.N.; Savrin, V.I.; Skachkov, N.B.

1987-01-01

For a system of two relativistic particles described in the Logunov-Tavkhelidze one-time approach the dependence of the quasipotential of one-boson exchange on the total energy of the system is calculated. It is shown that despite the nonlocal form of the obtained quasipotential the three-dimensional equations for the waves function can be reduced by a partial expansion to one-dimensional equations. The influence of the energy dependence of the quasipotential on its behavior in the coordinate representation is discussed

An analysis of cross-sectional variations in total household energy requirements in India using micro survey data

International Nuclear Information System (INIS)

Pachauri, Shonali

2004-01-01

Using micro level household survey data from India, we analyse the variation in the pattern and quantum of household energy requirements, both direct and indirect, and the factors causing such variation. An econometric analysis using household survey data from India for the year 1993-1994 reveals that household socio-economic, demographic, geographic, family and dwelling attributes influence the total household energy requirements. There are also large variations in the pattern of energy requirements across households belonging to different expenditure classes. Results from the econometric estimation show that total household expenditure or income level is the most important explanatory variable causing variation in energy requirements across households. In addition, the size of the household dwelling and the age of the head of the household are related to higher household energy requirements. In contrast, the number of members in the household and literacy of the head are associated with lower household energy requirements

An analysis of cross-sectional variations in total household energy requirements in India using micro survey data

Energy Technology Data Exchange (ETDEWEB)

Pachauri, Shonali E-mail: shonali.pachauri@cepe.mavt.ethz.ch

2004-10-01

Using micro level household survey data from India, we analyse the variation in the pattern and quantum of household energy requirements, both direct and indirect, and the factors causing such variation. An econometric analysis using household survey data from India for the year 1993-1994 reveals that household socio-economic, demographic, geographic, family and dwelling attributes influence the total household energy requirements. There are also large variations in the pattern of energy requirements across households belonging to different expenditure classes. Results from the econometric estimation show that total household expenditure or income level is the most important explanatory variable causing variation in energy requirements across households. In addition, the size of the household dwelling and the age of the head of the household are related to higher household energy requirements. In contrast, the number of members in the household and literacy of the head are associated with lower household energy requirements.

Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

International Nuclear Information System (INIS)

Tavares, O.A.P.; Medeiros, E.L.; Morcelle, V.

2010-06-01

Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range 6 Li- 238 U, and 158 projectile nuclei from 2 H up to 84 Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

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

Energy Technology Data Exchange (ETDEWEB)

NONE

2011-03-15

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

Mean-field potential approach for thermodynamic properties of lanthanide: Europium as a prototype

Science.gov (United States)

Kumar, Priyank; Bhatt, N. K.; Vyas, P. R.; Gohel, V. B.

2018-03-01

In the present paper, a simple conjunction scheme [mean-field potential (MFP) + local pseudopotential] is used to study the thermodynamic properties of divalent lanthanide europium (Eu) at extreme environment. Present study has been carried out due to the fact that divalent nature of Eu arises because of stable half-filled 4f-shell at ambient condition, which has great influence on the thermodynamic properties at extreme environment. Due to such electronic structure, it is different from remaining lanthanides having incomplete 4f-shell. The presently computed results of thermodynamic properties of Eu are in good agreement with the experimental results. Looking to such success, it seems that the concept of MFP approach is successful to account contribution due to nuclear motion to the total Helmholtz free energy at finite temperatures and pressure-induced inter-band transfer of electrons for condensed state of matter. The local pseudopotential is used to evaluate cold energy and hence MFP accounts the s-p-d-f hybridization properly. Looking to the reliability and transferability along with its computational and conceptual simplicity, we would like to extend the present scheme for the study of thermodynamic properties of remaining lanthanides and actinides at extreme environment.

Research report of fiscal 1997. Study on total energy and material control (feasibility study on circulating society); 1997 nendo chosa hokokusho. Total energy and material control ni kansuru chosa (junkangata shakai kochiku kanosei chosa) chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-03-01

In order to construct real sustainable global environment and human society in the 21st century called the century of environment, not only the innovation of manufacturing processes technically supporting such the construction but also the conception including the innovation of the whole society from a wide viewpoint are essential. As a total energy and material control system (TEMCOS) concept, the view of an energy-saving circulating society is attempted which minimizes a total energy and material flow in Japan, and the role and issue of manufacturing industry, in particular, material industry are extracted. As one of the targets of such a concept, the conception of an eco-town is also described. Paying attention on some important material industries including a mass material flow and consuming a large amount of energy such as metal, plastics and automobile industries, the study result on a material flow for every industry is arranged, and some effective issues contributing to minimize a material flow and control energy consumption and CO2 emission are extracted. 80 refs., 67 figs., 30 tabs.

Total cross sections of hadron interactions at high energies in low constituents number model

International Nuclear Information System (INIS)

Abramovskij, V.A.; Radchenko, N.V.

2009-01-01

We consider QCD hadrons interaction model in which gluons density is low in initial state wave function in rapidity space and real hadrons are produced from color strings decay. In this model behavior of total cross sections of pp, pp bar, π ± p, K ± p, γp, and γγ interactions is well described. The value of proton-proton total cross section at LHC energy is predicted

Shape resonances in low-energy-electron collisions with halopyrimidines

Energy Technology Data Exchange (ETDEWEB)

Barbosa, Alessandra Souza; Bettega, Márcio H. F., E-mail: bettega@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná (Brazil)

2013-12-07

We report calculated cross sections for elastic collisions of low-energy electrons with halopyrimidines, namely, 2-chloro, 2-bromo, and 5-bromopyrimidine. We employed the Schwinger multichannel method with pseudopotentials to compute the cross sections in the static-exchange and static-exchange plus polarization levels of approximation for energies up to 10 eV. We found four shape resonances for each molecule: three of π* nature localized on the ring and one of σ* nature localized along the carbon–halogen bond. We compared the calculated positions of the resonances with the electron transmission spectroscopy data measured by Modelli et al. [J. Phys. Chem. A 115, 10775 (2011)]. In general the agreement between theory and experiment is good. In particular, our results show the existence of a π* temporary anion state of A{sub 2} symmetry for all three halopyrimidines, in agreement with the dissociative electron attachment spectra also reported by Modelli et al. [J. Phys. Chem. A 115, 10775 (2011)].

Total integrated energy system (TIES) feasibility analysis for the downtown redevelopment project, Pasadena, California

Energy Technology Data Exchange (ETDEWEB)

None

1977-04-01

The purpose of this study is to determine the most desirable method of serving the energy needs of a commercial development to be constructed in Pasadena, California. The factors that determine maximum desirability consist of the following: (1) maximum economic benefit to the energy user and to the surrounding community; (2) minimum usage of energy by both the energy user and the surrounding community; and (3) minimum introduction of pollutants into the community. The methods studied were the Total Integrated Energy System (TIES) concept in several configurations. The TIES concept differs from the ''total energy concept'' in the respect that the electric power output of the local power generation plant goes into the utility company distribution grid, rather than to the user. The user is served power from the grid, as with a conventional system, but also receives heating and cooling media produced from power generation by-product heat from the TIES plant. The effect of this concept is that a very large source-sink for electric energy is provided by the utility company grid. This, in turn, permits the plant to operate in response to instantaneous thermal demand, rather than instantaneous power demand. No auxiliary firing is ever required. No waste of unneeded by-product energy to atmosphere ever occurs. Balance is achieved by either delivering excess power into the grid or by withdrawing power production deficiency from the grid. Near-optimum efficiency is achieved during all operating conditions. There is no need whatsoever for the power-generating plant to be sized to meet the power demand, since it seldom, if ever, tracks the power demand. Sizing of the electric generation is solely a function of economics and the demand for waste heat.

Structure determination of disordered organic molecules on surfaces from the Bragg spots of low-energy electron diffraction and total energy calculations

International Nuclear Information System (INIS)

Poon, H.C.; Weinert, M.; Saldin, D.K.; Stacchiola, D.; Zheng, T.; Tysoe, W.T.

2004-01-01

We show that an analysis of the intensity versus energy variation of Bragg spots due to low-energy electron diffraction from a disordered overlayer of molecules on a crystal surface allows a much more convenient method of determining the local adsorption geometries of such molecules than previously analyzed weak diffuse diffraction patterns. For the case of methanol on Pd(111), we show that the geometry determined by this means from experimental diffraction data is in excellent agreement with the predictions of density functional total energy calculations

Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

Energy Technology Data Exchange (ETDEWEB)

Tavares, O.A.P.; Medeiros, E.L., E-mail: emil@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Morcelle, V. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica

2010-06-15

Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range {sup 6}Li-{sup 238}U, and 158 projectile nuclei from {sup 2}H up to {sup 84}Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

About total kinetic energy distribution between fragments of binary fission

International Nuclear Information System (INIS)

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

2002-01-01

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

Total photoabsorption cross section on nuclei measured in energy range 0.5-2.6 GeV

International Nuclear Information System (INIS)

Mirazita, M.

1998-03-01

The total photoabsorption cross section on several nuclei has been measured in the energy range 0.5 - 2.6 GeV. Nuclear data show a significant reduction of the absorption strength with respect to the free nucleon case suggesting a shadowing effect at low energies

Postprandial appetite ratings are reproducible and moderately related to total day energy intakes, but not ad libitum lunch energy intakes, in healthy young women.

Science.gov (United States)

Tucker, Amy J; Heap, Sarah; Ingram, Jessica; Law, Marron; Wright, Amanda J

2016-04-01

Reproducibility and validity testing of appetite ratings and energy intakes are needed in experimental and natural settings. Eighteen healthy young women ate a standardized breakfast for 8 days. Days 1 and 8, they rated their appetite (Hunger, Fullness, Desire to Eat, Prospective Food Consumption (PFC)) over a 3.5 h period using visual analogue scales, consumed an ad libitum lunch, left the research center and recorded food intake for the remainder of the day. Days 2-7, participants rated their at-home Hunger at 0 and 30 min post-breakfast and recorded food intake for the day. Total area under the curve (AUC) over the 180 min period before lunch, and energy intakes were calculated. Reproducibility of satiety measures between days was evaluated using coefficients of repeatability (CR), coefficients of variation (CV) and intra-class coefficients (ri). Correlation analysis was used to examine validity between satiety measures. AUCs for Hunger, Desire to Eat and PFC (ri = 0.73-0.78), ad libitum energy intakes (ri = 0.81) and total day energy intakes (ri​ = 0.48) were reproducible; fasted ratings were not. Average AUCs for Hunger, Desire to Eat and PFC, Desire to Eat at nadir and PFC at fasting, nadir and 180 min were correlated to total day energy intakes (r = 0.50-0.77, P < 0.05), but no ratings were correlated to lunch consumption. At-home Hunger ratings were weakly reproducible but not correlated to reported total energy intakes. Satiety ratings did not concur with next meal intake but PFC ratings may be useful predictors of intake. Overall, this study adds to the limited satiety research on women and challenges the accepted measures of satiety in an experimental setting. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

Science.gov (United States)

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

2018-03-01

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

Total β-decay energies of neutron-rich zinc isotopes, A=75-80

International Nuclear Information System (INIS)

Lund, E.; Aleklett, K.; Fogelberg, B.; Sangariyavanish, A.

1984-01-01

The present investigation involves improved measurements of the Qsub(β)-values of 75-78 Zn and determinations of the total decay energies of sup(79,80)Zn which are not reported in the literature before. Also 81 Zn was detected but at the time for the experiment the ion-source was not efficient enough to yield sufficient activity for an accurate Qsub(β)-determination. (orig./HSI)

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Total Water Intake from Beverages and Foods Is Associated with Energy Intake and Eating Behaviors in Korean Adults

Science.gov (United States)

Lee, Kyung Won; Shin, Dayeon; Song, Won O.

2016-01-01

Water is essential for the proper functioning of the body. Even though a recommendation exists for adequate water intake for Koreans, studies identifying actual water intake from all beverages and foods consumed daily in the Korean population are limited. Thus, we estimated total water intake from both beverages and foods and its association with energy intake and eating behaviors in Korean adults. We used a nationally representative sample of 25,122 Korean adults aged ≥19 years, from the Korean National Health and Nutrition Examination Survey 2008–2012. We performed multiple regression analyses, adjusting for sociodemographic and health-related variables to investigate the contribution of overall energy and dietary intakes and eating behaviors to total water intake. The mean total water intake excluding plain water was 1071 g (398 g from beverages and 673 g from foods) and the estimated plain water intake was 1.3 L. Among Korean adults, 82% consumed beverages (excluding plain water) and these beverages contributed to 10% of daily energy intake and 32% of total water intake from beverages and foods. For every 100 kcal/day in energy intake, water intake consumed through beverages and foods increased by 18 g and 31 g, respectively. Water intake from beverages and foods was positively associated with energy from fat and dietary calcium, but inversely associated with energy density and energy from carbohydrates. When there was a 5% increase in energy intake from snacks and eating outside the home, there was an increase in water intake from beverages of 13 g and 2 g, respectively. Increased daily energy intake, the number of eating episodes, and energy intake from snacks and eating outside the home predicted higher water intake from beverages and foods. Our results provide evidence suggesting that various factors, including sociodemographic status, dietary intakes, and eating behaviors, could be important contributors to the water intake of Korean adults. Findings

Total Water Intake from Beverages and Foods Is Associated with Energy Intake and Eating Behaviors in Korean Adults

Directory of Open Access Journals (Sweden)

Kyung Won Lee

2016-10-01

Full Text Available Water is essential for the proper functioning of the body. Even though a recommendation exists for adequate water intake for Koreans, studies identifying actual water intake from all beverages and foods consumed daily in the Korean population are limited. Thus, we estimated total water intake from both beverages and foods and its association with energy intake and eating behaviors in Korean adults. We used a nationally representative sample of 25,122 Korean adults aged ≥19 years, from the Korean National Health and Nutrition Examination Survey 2008–2012. We performed multiple regression analyses, adjusting for sociodemographic and health-related variables to investigate the contribution of overall energy and dietary intakes and eating behaviors to total water intake. The mean total water intake excluding plain water was 1071 g (398 g from beverages and 673 g from foods and the estimated plain water intake was 1.3 L. Among Korean adults, 82% consumed beverages (excluding plain water and these beverages contributed to 10% of daily energy intake and 32% of total water intake from beverages and foods. For every 100 kcal/day in energy intake, water intake consumed through beverages and foods increased by 18 g and 31 g, respectively. Water intake from beverages and foods was positively associated with energy from fat and dietary calcium, but inversely associated with energy density and energy from carbohydrates. When there was a 5% increase in energy intake from snacks and eating outside the home, there was an increase in water intake from beverages of 13 g and 2 g, respectively. Increased daily energy intake, the number of eating episodes, and energy intake from snacks and eating outside the home predicted higher water intake from beverages and foods. Our results provide evidence suggesting that various factors, including sociodemographic status, dietary intakes, and eating behaviors, could be important contributors to the water intake of Korean

Total Water Intake from Beverages and Foods Is Associated with Energy Intake and Eating Behaviors in Korean Adults.

Science.gov (United States)

Lee, Kyung Won; Shin, Dayeon; Song, Won O

2016-10-04

Water is essential for the proper functioning of the body. Even though a recommendation exists for adequate water intake for Koreans, studies identifying actual water intake from all beverages and foods consumed daily in the Korean population are limited. Thus, we estimated total water intake from both beverages and foods and its association with energy intake and eating behaviors in Korean adults. We used a nationally representative sample of 25,122 Korean adults aged ≥19 years, from the Korean National Health and Nutrition Examination Survey 2008-2012. We performed multiple regression analyses, adjusting for sociodemographic and health-related variables to investigate the contribution of overall energy and dietary intakes and eating behaviors to total water intake. The mean total water intake excluding plain water was 1071 g (398 g from beverages and 673 g from foods) and the estimated plain water intake was 1.3 L. Among Korean adults, 82% consumed beverages (excluding plain water) and these beverages contributed to 10% of daily energy intake and 32% of total water intake from beverages and foods. For every 100 kcal/day in energy intake, water intake consumed through beverages and foods increased by 18 g and 31 g, respectively. Water intake from beverages and foods was positively associated with energy from fat and dietary calcium, but inversely associated with energy density and energy from carbohydrates. When there was a 5% increase in energy intake from snacks and eating outside the home, there was an increase in water intake from beverages of 13 g and 2 g, respectively. Increased daily energy intake, the number of eating episodes, and energy intake from snacks and eating outside the home predicted higher water intake from beverages and foods. Our results provide evidence suggesting that various factors, including sociodemographic status, dietary intakes, and eating behaviors, could be important contributors to the water intake of Korean adults. Findings

Ab initio thermodynamic properties of stoichiometric phases in the Ni-Al system

International Nuclear Information System (INIS)

Arroyave, R.; Shin, D.; Liu, Z.-K.

2005-01-01

In this work the thermodynamic properties of Al, Ni, NiAl and Ni 3 Al were obtained through ab initio methods. Through the use of density functional theory within the generalized gradient approximation and projector augmented-wave (PAW) pseudopotentials, the 0 K energetics of the structures were calculated. The supercell method was used to calculate the vibrational contributions to the free energy. The contribution of electronic degrees of freedom to the total free energy was also included in the calculations. The resulting free energy was used to calculate the enthalpies and entropies of the structures investigated. The comparison with experimental data is satisfactory, and the calculations compare well with recent results using linear response theory

Total number albedo and average cosine of the polar angle of low-energy photons reflected from water

Directory of Open Access Journals (Sweden)

Marković Srpko

2007-01-01

Full Text Available The total number albedo and average cosine of the polar angle for water and initial photon energy range from 20 keV to 100 keV are presented in this pa per. A water shield in the form of a thick, homogenous plate and per pendicular incidence of the monoenergetic photon beam are assumed. The results were obtained through Monte Carlo simulations of photon reflection by means of the MCNP computer code. Calculated values for the total number albedo were compared with data previously published and good agreement was confirmed. The dependence of the average cosine of the polar angle on energy is studied in detail. It has been found that the total average cosine of the polar angle has values in the narrow interval of 0.66-0.67, approximately corresponding to the reflection angle of 48°, and that it does not depend on the initial photon energy.

Total energy expenditure in burned children using the doubly labeled water technique

International Nuclear Information System (INIS)

Goran, M.I.; Peters, E.J.; Herndon, D.N.; Wolfe, R.R.

1990-01-01

Total energy expenditure (TEE) was measured in 15 burned children with the doubly labeled water technique. Application of the technique in burned children required evaluation of potential errors resulting from nutritional intake altering background enrichments during studies and from the high rate of water turnover relative to CO2 production. Five studies were discarded because of these potential problems. TEE was 1.33 +/- 0.27 times predicted basal energy expenditure (BEE), and in studies where resting energy expenditure (REE) was simultaneously measured, TEE was 1.18 +/- 0.17 times REE, which in turn was 1.16 +/- 0.10 times predicted BEE. TEE was significantly correlated with measured REE (r2 = 0.92) but not with predicted BEE. These studies substantiate the advantage of measuring REE to predict TEE in severely burned patients as opposed to relying on standardized equations. Therefore we recommend that optimal nutritional support will be achieved in convalescent burned children by multiplying REE by an activity factor of 1.2

Total Factor Productivity and Energy Intensity in Indian Manufacturing: A Cross-Sectional Study

Directory of Open Access Journals (Sweden)

Santosh Kumar Sahu

2011-01-01

Full Text Available The objective of the paper is to estimate the transcendental logarithmic production function and further study the determinants of total factor productivity (TFP of Indian manufacturing industries. The estimation of TFP is based on four inputs model, where apart from labour and capital, material and energy are the other two inputs. The findings of the paper suggest that labour and material inputs play major role as compared to the capital and energy input. Age of the firm, ownership, energy intensity, embodied and disembodied technology imports, research and development and exports were considered as the possible determinants of the TFP in the second stage regression. The finding of the estimates suggest that age of the firm, export intensity and disembodied technology import are positively related to the TFP, where ownership, energy intensity, embodied technology import and R&D intensity are negatively related to the TFP of the firms for Indian manufacturing.

The Impact of Environmental Regulation on Total Factor Energy Efficiency: A Cross-Region Analysis in China

Directory of Open Access Journals (Sweden)

Jianting Lin

2017-10-01

Full Text Available Environmental regulations are the key measure by which governments achieve sustainable environmental and economic development. This study aimed to determine the direct and indirect impacts of environmental regulations on total factor energy efficiency of regions in China. Since regions have different levels of economic development and resource endowment, we used the slacks-based measure (SBM-undesirable model to calculate total factor energy efficiency considering regional technology heterogeneity and examined the regional impacts of environmental regulation on this efficiency using the Tobit regression model. A positive direct impact was generated in the eastern region of China by the forced mechanism, which forced enterprises to reduce fossil fuel energy demand and increase clean energy consumption; whereas a negative direct impact was generated in the middle and western regions owing to the green paradox, which is the observation that expected stringent environmental regulation prompts energy owners to accelerate resource extraction. Moreover, indirect impacts through technological progress and foreign direct investment were taken into account in the model, and the results show that the indirect impacts vary across regions. A logical response to these findings would be to develop different policies for different regions.

Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations

DEFF Research Database (Denmark)

Patrick, Christopher; Thygesen, Kristian Sommer

2016-01-01

In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic density and noninteracting response function. Here we...... investigate the effect of including a Hubbard-U term in this single-particle Hamiltonian, to better describe the on-site correlation of 3d electrons in the transitionmetal compounds ZnS, TiO2, and NiO.We find that the RPA lattice constants are essentially independent of U, despite large changes...... in the underlying electronic structure. We further demonstrate that the non-selfconsistent RPA total energies of these materials have minima at nonzero U. Our RPA calculations find the rutile phase of TiO2 to be more stable than anatase independent of U, a result which is consistent with experiments...

Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

International Nuclear Information System (INIS)

Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

2010-01-01

Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

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

Science.gov (United States)

Bruce, Kevin R.

1988-01-01

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

On the dependence of quasipotential on the total energy of a two-particle system

International Nuclear Information System (INIS)

Kapshaj, V.N.; Savrin, V.I.

1986-01-01

For a system of two relativistic particles described in the framework of the Logunov-Tavkhelidze one-time approach the dependence is calculated of the one-boson exchange potential on the total energy of the system. It is shown that in spite of a nonlocal form of the quasipotential obtained, three-dimensional equations for the wave function are reduced to one-dimensional ones by means of partial expansion. Influence of the energy dependence of the quasipotential on its behaviour in the coordinate representation is discussed

The trends in total energy, macronutrients and sodium intake among Japanese: findings from the 1995-2016 National Health and Nutrition Survey.

Science.gov (United States)

Saito, Aki; Imai, Shino; Htun, Nay Chi; Okada, Emiko; Yoshita, Katsushi; Yoshiike, Nobuo; Takimoto, Hidemi

2018-06-04

Monitoring nutritional status of the population is essential in the development and evaluation of national or local health policies. In this study, we aimed to demonstrate analysis on the trends in dietary intake of energy and macronutrients, as well as Na, in Japanese population using the data of series of cross-sectional national surveys - the National Nutrition Survey (NNS) and the National Health Nutrition Survey (NHNS) - during the period from 1995 to 2016. The NNS and NHNS participants aged 20-79 years were included in the analysis. Dietary intake was estimated using 1-d household-based dietary record. The trend in total energy intake, energy intake from macronutrients (fat and protein), Na intake and energy-adjusted Na intake were analysed using regression models adjusted to 2010 age distribution and anthropometry status. A total of 94 270 men and 107 890 women were included the analysis. Total energy intake showed a decreasing trend in both men and women. Similarly, energy intake from protein decreased, but energy intake (%) from fat increased in both sexes. Energy-adjusted Na intake showed a decreasing trend in both men and women. This study identified the decrease in total energy intake and energy intake from protein, whereas there were inverse trends in energy intake from fat among Japanese adults. Continued monitoring of trends in dietary intake will be needed, and there should be efforts to increase the accuracy of current survey procedures.

Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

Science.gov (United States)

Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

2018-06-01

A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

Relativistic analysis of the dielectric Einstein box: Abraham, Minkowski and total energy-momentum tensors

International Nuclear Information System (INIS)

Ramos, Tomas; Rubilar, Guillermo F.; Obukhov, Yuri N.

2011-01-01

Highlights: → The definition of the momentum of light inside matter is studied. → Fully relativistic analysis of the dielectric 'Einstein box' thought experiment. → Minkowski, Abraham and the total energy-momentum tensors are derived in detail. → Some assumptions hidden in the usual Einstein box argument are identified. → The Abraham momentum is not uniquely selected as the momentum of light in this case. - Abstract: We analyse the 'Einstein box' thought experiment and the definition of the momentum of light inside matter. We stress the importance of the total energy-momentum tensor of the closed system (electromagnetic field plus material medium) and derive in detail the relativistic expressions for the Abraham and Minkowski momenta, together with the corresponding balance equations for an isotropic and homogeneous medium. We identify some assumptions hidden in the Einstein box argument, which make it weaker than it is usually recognized. In particular, we show that the Abraham momentum is not uniquely selected as the momentum of light in this case.

Measurements of Daily Energy Intake and Total Energy Expenditure in People with Dementia in Care Homes: The Use of Wearable Technology.

Science.gov (United States)

Murphy, J; Holmes, J; Brooks, C

2017-01-01

To estimate daily total energy expenditure (TEE) using a physical activity monitor, combined with dietary assessment of energy intake to assess the relationship between daily energy expenditure and patterns of activity with energy intake in people with dementia living in care homes. A cross-sectional study in care homes in the UK. Twenty residents with confirmed dementia diagnosis were recruited from two care homes that specialised in dementia care. A physical activity monitor (SensewearTM Armband, Body Media, Pittsburgh, PA) was employed to objectively determine total energy expenditure, sleep duration and physical activity. The armband was placed around the left upper triceps for up to 7 days. Energy intake was determined by weighing all food and drink items over 4 days (3 weekdays and 1 weekend day) including measurements of food wastage. The mean age was 78.7 (SD ± 11.8) years, Body Mass Index (BMI) 23.0 (SD ± 4.2) kg/m2; 50% were women. Energy intake (mean 7.4; SD ± 2.6) MJ/d) was correlated with TEE (mean 7.6; SD ± 1.8 MJ/d; r=0.49, p<0.05). Duration of sleeping ranged from 0.4-12.5 (mean 6.1) hrs/d and time spent lying down was 1.3-16.0 (8.3) hrs/d. On average residents spent 17.9 (6.3-23.4) hrs/d undertaking sedentary activity. TEE was correlated with BMI (r=0.52, p<0.05) and body weight (r=0.81, p<0.001) but inversely related to sleep duration (r=-0.59, p<0.01) and time lying down (r=-0.62, p<0.01). Multiple linear regression analysis revealed that after taking BMI, sleep duration and time spent lying down into account, TEE was no longer correlated with energy intake. The results show the extent to which body mass, variable activity and sleep patterns may be contributing to TEE and together with reduced energy intake, energy requirements were not satisfied. Thus wearable technology has the potential to offer real-time monitoring to provide appropriate nutrition management that is more person-centred to prevent weight loss in dementia.

TX 2000: total reflection and 45o energy dispersive x-ray fluorescence spectrometer

International Nuclear Information System (INIS)

Pasti, F.; Torboli, A.; Valdes, M.

2000-01-01

This equipment, developed by Ital Structures, combines two kinds of energy dispersive X-ray fluorescence techniques, the first using total reflection geometry and the second conventional 45 o geometry. The equipment is completely controlled by a PC and to reach the condition of total reflection is very easy because it is enough to load the file with the right position for the corresponding energy. In this apparatus we used an x-ray tube with an alloy anode of Mo/W with a long fine focus at 2200 W. To monochromatize the x-ray beam while choosing, for example, the Mo K alpha or W L alpha or a piece of white spectrum of 33 keV, we use a highly reflective multilayer made of Si/W with 2d = 45.5 A o . The detector used in the equipment is a lithium drifted silicon detector (Si(Li)) with an excellent energy resolution of 135 eV at 5.9 keV and 1000 cps. We developed two programs written in Windows 95, 98 and NT for a 32 bit microprocessor. The first one is called TYACQ32 and has the following functions: first, complete control of the hardware, second automatic alignment of the TX 2000 spectrometer and third acquisition of spectra. The second program is EDXRF32. This is a program to accomplish spectrum and quantitative analysis for TXRF and EDXRF 45 o degrees analysis. (author)

Study of Atoms and Molecules with Auxiliary-Field Quantum Monte Carlo

Science.gov (United States)

Purwanto, Wirawan; Suewattana, Malliga; Krakauer, Henry; Zhang, Shiwei; Walter, Eric J.

2006-03-01

We study the ground-state properties of second-row atoms and molecules using the phaseless auxiliary-field quantum Monte Carlo (AF QMC) method. This method projects the many-body ground state from a trial wave function by means of random walks in the Slater-determinant space. We use a single Slater-determinant trial wave function obtained from density-functional theory (DFT) or Hartree-Fock (HF) calculations. The calculations were done with a plane-wave basis and supercells with periodic boundary condition. We investigate the finite-size effects and the accuracy of pseudopotentials within DFT, HF, and AF QMC frameworks. Pseudopotentials generated from both LDA (OPIUM) and HF are employed. We find that the many-body QMC calculations show a greater sensitivity to the accuracy of the pseudopotentials. With reliable pseudopotentials, the ionization potentials and dissociation energies obtained using AF QMC are in excellent agreement with the experimental results. S. Zhang and H. Krakauer, Phys. Rev. Lett. 90, 136401 (2003) http://opium.sourceforge.net I. Ovcharenko, A. Aspuru-Guzik, and W. A. Lester, J. Chem. Phys. 114, 7790 (2001)

Achievement report on surveys and researches in the Sunshine Project in fiscal 1980. Surveys and researches on total energy systems; 1980 nendo total energy system ni kansuru chosa kenkyu seika hokokusho yoyaku

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-06-01

Identifying the energy demand system as a total system covering from energy generation to the ultimate utilization, a quantitative and theoretical analysis method was developed in achieving selection and development of long-term strategy of Japan for 50 years from about 1975 to about 2025. Development was made on a supply estimation model by using the system dynamics method, that includes international fluctuation factors in primary energy supply structure and time-based relevant elements. Improvements were made in several occasions on the demand estimation model that includes movements of Japan's industrial structures and nation's needs for living, and fluctuation factors of population configuration. Development and improvement were made on the energy flow model to link the supply side with the demand side and analyze the energy flow. In addition, efforts were made on arranging data for inputting these models (data collection, putting them in order, and processing). These models are now in the phase of practical use, and three models have also been nearly completed. Quantitative analysis will be possible if arranging the input database is continued. (NEDO)

Variability in the reported energy, total fat and saturated fat contents in fast-food products across ten countries.

Science.gov (United States)

Ziauddeen, Nida; Fitt, Emily; Edney, Louise; Dunford, Elizabeth; Neal, Bruce; Jebb, Susan A

2015-11-01

Fast foods are often energy dense and offered in large serving sizes. Observational data have linked the consumption of fast foods to an increased risk of obesity and related diseases. We surveyed the reported energy, total fat and saturated fat contents, and serving sizes, of fast-food items from five major chains across ten countries, comparing product categories as well as specific food items available in most countries. MRC Human Nutrition Research, Cambridge, UK. Data for 2961 food and drink products were collected, with most from Canada (n 550) and fewest from the United Arab Emirates (n 106). There was considerable variability in energy and fat contents of fast foods across countries, reflecting both the portfolio of products and serving size variability. Differences in total energy between countries were particularly noted for chicken dishes (649-1197 kJ/100 g) and sandwiches (552-1050 kJ/100g). When comparing the same product between countries variations were consistently observed in total energy and fat contents (g/100 g); for example, extreme variation in McDonald's Chicken McNuggets with 12 g total fat/100 g in Germany compared with 21·1 g/100 g in New Zealand. These cross-country variations highlight the possibility for further product reformulation in many countries to reduce nutrients of concern and improve the nutritional profiles of fast-food products around the world. Standardisation of serving sizes towards the lower end of the range would also help to reduce the risk of overconsumption.

Variability in the reported energy, total fat and saturated fat content in fast food products across ten countries

Science.gov (United States)

Ziauddeen, Nida; Fitt, Emily; Edney, Louise; Dunford, Elizabeth; Neal, Bruce; Jebb, Susan A.

2016-01-01

Objective Fast foods are often energy dense and offered in large serving sizes. Observational data has linked the consumption of fast food to an increased risk of obesity and related diseases. Design We surveyed the reported energy, total fat and saturated fat contents, and serving sizes, of fast food items from five major chains across 10 countries, comparing product categories as well as specific food items available in most countries. Setting MRC Human Nutrition Research (HNR), Cambridge Subjects Data for 2961 food and drink products were collected, with most from Canada (n=550) and fewest from United Arab Emirates (n=106). Results There was considerable variability in energy and fat content of fast food across countries, reflecting both the portfolio of products, and serving size variability. Differences in total energy between countries were particularly noted for chicken dishes (649-1197kJ/100g) and sandwiches (552-1050kJ/100g). When comparing the same product between countries variations were consistently observed in total energy and fat content (g/100g) with extreme variation in McDonald’s Chicken McNuggets with 12g total fat (g/100g) in Germany compared to 21.1g in New Zealand. Conclusions These cross-country variations highlight the possibility for further product reformulation in many countries to reduce nutrients of concern and improve the nutritional profiles of fast food products around the world. Standardisation of serving sizes towards the lower end of the range would also help to reduce the risk of overconsumption. PMID:25702788

Total energy supply for remote human habitations (Or 'Nuclear North of 60')

International Nuclear Information System (INIS)

Harris, J.

2012-01-01

This presentation will examine the direct application of nuclear energy solutions in the north, and remote areas of Canada. Further it will challenge the existing energy network based on the shipment of fossil fuels to remote areas, and examine the use of small, modular, and/or deployable nuclear plants in these communities. The use of these small reactors and some newly emerging technologies will likely provide a near total energy supply for these communities. In particular low grade heat processes, district heating, the 'local' production of motive fuels, and local food production will be examined. Additionally the economic and social impact of moving the value added side of many of these processes to the local communities will also be briefly discussed.

Fission-fragment angular distributions and total kinetic energies for 235U(n,f) from .18 to 8.83 MeV

International Nuclear Information System (INIS)

Meadows, J.W.; Budtz-Joergensen, C.

1982-01-01

A gridded ion chamber was used to measure the fission fragment angular distribution and total kinetic energy for the 235 U(n,f) reaction from 0.18 to 8.81 MeV neutron energy. The anisotropies are in generally good agreement with earlier measurements. The average total kinetic energy is approx. 0.2 MeV greater than the thermal value at neutron energies < 2 MeV and shows a sudden decrease of approx. 0.8 MeV between 4 and 5 MeV neutron energy, well below the (n, n'f) threshold. Possible causes of this decrease are a change in the mass distribution or decreased shell effects in the heavy fragment

The influence of x-ray energy on lung dose uniformity in total-body irradiation

International Nuclear Information System (INIS)

Ekstrand, Kenneth; Greven, Kathryn; Wu Qingrong

1997-01-01

Purpose: In this study we examine the influence of x-ray energy on the uniformity of the dose within the lung in total-body irradiation treatments in which partial transmission blocks are used to control the lung dose. Methods and Materials: A solid water phantom with a cork insert to simulate a lung was irradiated by x-rays with energies of either 6, 10, or 18 MV. The source to phantom distance was 3.9 meters. The cork insert was either 10 cm wide or 6 cm wide. Partial transmission blocks with transmission factors of 50% were placed anterior to the cork insert. The blocks were either 8 or 4 cm in width. Kodak XV-2 film was placed in the midline of the phantom to record the dose. Midplane dose profiles were measured with a densitometer. Results: For the 10 cm wide cork insert the uniformity of the dose over 80% of the block width varied from 6.6% for the 6 MV x-rays to 12.2% for the 18 MV x-rays. For the 6 cm wide cork insert the uniformity was comparable for all three x-ray energies, but for 18 MV the central dose increased by 9.4% compared to the 10 cm wide insert. Conclusion: Many factors must be considered in optimizing the dose for total-body irradiation. This study suggests that for AP/PA techniques lung dose uniformity is superior with 6 MV irradiation. The blanket recommendation that the highest x-ray energy be used in TBI is not valid for all situations

Precise Measurement of the $\\bar{p}p$ Total Cross-Section in the ISR Energy Range

CERN Multimedia

2002-01-01

The major aim of this experiment is the precise measurement of the antiproton-proton total cross-section in the ISR energy range, using the total-rate method. The proton-proton total cross-section is remeasured with the same method and the same apparatus, and a precision of 0.5\\% is expected for both cross-sections. The total-rate method consists in the simultaneous measurement of the total interaction rate and the ISR luminosity. This is done with a set of scintillation-counter hodoscopes covering over 99.99\\% of the solid angle, which are sensitive to over 95\\% of all interactions. In addition to these detectors, small-angle drift-tube hodoscopes are used to measure the differential elastic cross-section as a function of the momentum transfert t. The total cross-section can be measured independently by extrapolating this differential cross-section to the forward direction and invoking the optical theorem. A study of the general features of charged-particle production is performed using finely divided scinti...

Misreporting of energy intake in the elderly using doubly labeled water to measure total energy expenditure and weight change.

Science.gov (United States)

Shahar, Danit R; Yu, Binbing; Houston, Denise K; Kritchevsky, Stephen B; Newman, Anne B; Sellmeyer, Deborah E; Tylavsky, Frances A; Lee, Jung Sun; Harris, Tamara B

2010-02-01

One of the major problems in dietary assessment is inaccuracy in reporting diet. To examine the association between self-reported energy intake (EI) by food frequency questionnaire (FFQ) and energy expenditure (EE), measured by doubly labeled water (DLW), among older persons. EE was assessed in 298 high-functioning, community-dwelling older adults (70-79 years of age) over a 2-week period using DLW. Dietary intake was assessed using a Block FFQ. The ratio between reported EI and total energy expenditure (TEE) was calculated. Misreporting was defined as follows: participants with an EI/TEE ratio of reporters, while participants with an EI/TEE ratio >1.28 were categorized as high energy reporters. Participants with an EI/TEE ratio of 0.77-1.28 were categorized as "true" energy reporters. One-year percent weight change prior to EE visit was used as another validation indicator. Participants who were low energy reporters but lost >2% of their body weight were categorized as undereaters. Two hundred ninety-six participants provided both FFQ and DLW measurements. Forty-three percent of participants were low energy reporters; among them, almost 30% lost weight and, therefore, were categorized as undereaters. The undereaters consumed significantly fewer calories. No difference in the frequency of low energy reporting was detected between genders or racial groups. Underreporters had significantly higher body weight than "true" or high reporters. Undereaters tended to have higher body mass index than the underreporters. Undereating is prevalent in the elderly and may be falsely perceived as underreporting. It should be further addressed and characterized in future studies.

The rise of the proton-(anti)proton total cross section at tevatron energies and beyond

International Nuclear Information System (INIS)

Kluit, P.M.; Timmermans, J.

1987-12-01

A dispersion relation analysis of the UA4 result on the real part of the panti p elastic scattering amplitude is presented. The interpretation is twofold. Assuming that the pp and panti p cross sections are asymptotically identical, a steep rise is deduced of the total cross section in the 1-4 TeV domain. In case the pp and panti p cross sections are asymptotically different, it is deduced that there is a crossing of the total cross section of pp and panti p between ISR and Spanti pS energies followed by a steep rise of the difference of the pp and panti p total cross sections. It is shown that in both cases this rise can be accounted for if we add an additional term with an energy cut-off to the usual Amaldi parametrisation of the total cross section: ln 2 (s/s cut ) in the first case, or ln(s/s cuto ) in the second case, where √s cut lies around 500 GeV and √s cuto around 63 GeV. Both quantities can be interpreted as a threshold of a new process. For the first case, a continuous parametrisation without a threshold is also proposed with an extra term of the form ln 2 (1+ s/s 1 ), where √s 1 equals 700 GeV. 12 refs.; 5 figs.; 3 tabs

Total and elastic electron scattering cross sections from Xe at intermediate and high energies

International Nuclear Information System (INIS)

Garcia, G; Pablos, J L de; Blanco, F; Williart, A

2002-01-01

Experimental total electron scattering cross sections from Xe in the energy range 300-5000 eV have been obtained with experimental errors of about 3%. The method was based on the measurement of the attenuation of a linear electron beam through a Xe gas cell in combination with an electron spectroscopy technique to analyse the energy of the transmitted electrons. Differential and integral elastic cross sections have been calculated using a scattering potential method which includes relativistic effects. The consistency of our theoretical and experimental results is also discussed in the paper. Finally, analytical formulae depending on two parameters, namely the number of target electrons and the atomic polarizability, are given to reproduce the experimental data for Ne, Ar, Kr and Xe in the energy range 500-10 000 eV

Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

Science.gov (United States)

Alexeev, Alexander; Vasyliv, Yaroslav

2017-11-01

We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

Absolute total and one and two electron transfer cross sections for Ar8+ on Ar as a function of energy

International Nuclear Information System (INIS)

Vancura, J.; Kostroun, V.O.

1992-01-01

The absolute total and one and two electron transfer cross sections for Ar 8+ on Ar were measured as a function of projectile laboratory energy from 0.090 to 0.550 keV/amu. The effective one electron transfer cross section dominates above 0.32 keV/amu, while below this energy, the effective two electron transfer starts to become appreciable. The total cross section varies by a factor over the energy range explored. The overall error in the cross section measurement is estimated to be ± 15%

Summarized achievement report on research and development in the Sunshine Project in fiscal 1979. Research on hydrogen energy total systems; 1979 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1980-03-01

This paper describes discussions on future possibility of introducing hydrogen, by adding the latest data acquired in fiscal 1979 into a hydrogen energy total system calculation model. The critical cost of hydrogen is higher always than other secondary energies up to about 2030. Since it is a presupposition that hydrogen manufacturing is technologically feasible only by using the electrolytic manufacturing process, the hydrogen cost changes with the critical cost of electric power. Thereafter, if a hydrogen manufacturing process of mixed type utilizing heat from a high temperature gas reactor (HTGR) is introduced, the cost will be reduced. However, introduction of HTGR is governed by the nuclear power plan such as HTGR technology development, rather than simply by the economic performance. Value factors showing qualitative advantage of hydrogen have been assigned to different demand sectors, whereas acceptable economic performance may emerge from this effect from about 2010 in sectors having large value factors (such as 2.8 in aircraft fuels). Hydrogen contribution would be about 2.1% in 2020 and 5.5% in 2030 of the whole energy demand. (NEDO)

Molecular dynamics of liquid alkaline-earth metals near the melting ...

Indian Academy of Sciences (India)

Results of the studies of the properties like binding energy, the pair distrib- ... of the pseudopotential used from solid to liquid environment in the case of .... In this expression, Eeg represents the ground state energy of the electron gas, for.

Empirical Study on Total Factor Productive Energy Efficiency in Beijing-Tianjin-Hebei Region-Analysis based on Malmquist Index and Window Model

Science.gov (United States)

Xu, Qiang; Ding, Shuai; An, Jingwen

2017-12-01

This paper studies the energy efficiency of Beijing-Tianjin-Hebei region and to finds out the trend of energy efficiency in order to improve the economic development quality of Beijing-Tianjin-Hebei region. Based on Malmquist index and window analysis model, this paper estimates the total factor energy efficiency in Beijing-Tianjin-Hebei region empirically by using panel data in this region from 1991 to 2014, and provides the corresponding political recommendations. The empirical result shows that, the total factor energy efficiency in Beijing-Tianjin-Hebei region increased from 1991 to 2014, mainly relies on advances in energy technology or innovation, and obvious regional differences in energy efficiency to exist. Throughout the window period of 24 years, the regional differences of energy efficiency in Beijing-Tianjin-Hebei region shrank. There has been significant convergent trend in energy efficiency after 2000, mainly depends on the diffusion and spillover of energy technologies.

Total photon absorption

International Nuclear Information System (INIS)

Carlos, P.

1985-06-01

The present discussion is limited to a presentation of the most recent total photonuclear absorption experiments performed with real photons at intermediate energy, and more precisely in the region of nucleon resonances. The main sources of real photons are briefly reviewed and the experimental procedures used for total photonuclear absorption cross section measurements. The main results obtained below 140 MeV photon energy as well as above 2 GeV are recalled. The experimental study of total photonuclear absorption in the nuclear resonance region (140 MeV< E<2 GeV) is still at its beginning and some results are presented

Measurement of the energy dependence of the total photon-proton cross section at HERA

Energy Technology Data Exchange (ETDEWEB)

Abramowicz, H. [Tel Aviv Univ. (Israel). Raymond and Beverly Sackler Faculty of Exact Sciences; Univ. Coll. London (United Kingdom); Krakow Univ. of Technology (Poland). Faculty of Physics, Mathematics and Applied Computer Science; Abt, I. [Max-Planck-Institut fuer Physik, Muenchen (Germany); Adamczyk, L. [AGH-Univ. of Science and Technology, Cracow (PL). Faculty of Physics and Applied Computer Science] (and others)

2010-10-15

The energy dependence of the photon-proton total cross section, {sigma}{sub tot}{sup {gamma}}{sup p}, was determined from e{sup +}p scattering data collected with the ZEUS detector at HERA at three values of the center-of-mass energy, W, of the {gamma}p system in the range 194

Electron capture in pseudo-two-electron systems: Ar8++He

International Nuclear Information System (INIS)

Kimura, M.; Olson, R.E.

1985-01-01

Molecular-structure calculations using the pseudopotential method have been performed on the (ArHe) 8+ system. The cross section for single-electron capture in Ar 8+ +He collisions was calculated for energies from 20 eV to 10 keV/amu. The perturbed-stationary-state method [M. Kimura, H. Sato, and R. E. Olson, Phys. Rev. A 28, 2085 (1983)], modified to include electron translation factors appropriate to two-electron systems, was used. The total cross section is relatively energy independent with a value of approximately 2.5 x 10 -15 cm 2 . The n = 4 level of Ar 7+ is found to be preferentially populated, with the 4f level being dominant

Design of a bolometer for total-energy measurement of the linear coherent light source pulsed X-ray laser

International Nuclear Information System (INIS)

Friedrich, S.; Li, L.; Ott, L.L.; Kolgani, Rajeswari M.; Yong, G.J.; Ali, Z.A.; Drury, O.B.; Ables, E.; Bionta, R.M.

2006-01-01

We are developing a cryogenic bolometer to measure the total energy of the linear coherent light source (LCLS) free electron X-ray laser to be built at the Stanford Linear Accelerator Center. The laser will produce ultrabright X-ray pulses in the energy range between 0.8 and 8 keV with ∼10 12 photons per ∼200 fs pulse at a repeat interval of 8 ms, and will be accompanied by a halo of spontaneous undulator radiation. The bolometer is designed to determine the total energy of each laser pulse to within (1- x ) Sr x MnO 3 sensor array at the metal-insulator transition, where the composition x is adjusted to produce the desired transition temperature. We discuss design considerations and material choices, and present numerical simulations of the thermal response

Total kinetic energy in four global eddying ocean circulation models and over 5000 current meter records

KAUST Repository

Scott, Robert B.; Arbic, Brian K.; Chassignet, Eric P.; Coward, Andrew C.; Maltrud, Mathew; Merryfield, William J.; Srinivasan, Ashwanth; Varghese, Anson

2010-01-01

We compare the total kinetic energy (TKE) in four global eddying ocean circulation simulations with a global dataset of over 5000, quality controlled, moored current meter records. At individual mooring sites, there was considerable scatter between

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

International Nuclear Information System (INIS)

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

1996-01-01

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

Some Environmental and Economic Aspects of Energy Saving Measures in Houses. An estimation model for total energy consumption and emissions to air from the Norwegian dwelling stock, and a life cycle assessment method for energy saving measures in houses

Energy Technology Data Exchange (ETDEWEB)

Myhre, L

1995-12-01

Motivated by the need to reduce the total energy consumption and the environmental load from society, this doctoral thesis discusses energy conservation measures on existing houses. Alternative additional thermal insulation measures are assessed using an interdisciplinary life cycle approach. The first task is to develop an interdisciplinary assessment method for building improvement measures, taking account of energy consumption, resource consumption, emissions to air of environmentally harmful gases, and economic costs during the entire life cycle of the building. The second task is to develop an estimation model for the total energy consumption and emissions to air of environmentally harmful gases from the dwelling stock of Norway. Finally, the third task is to assess the total energy saving potential and the total environmental benefits of energy saving measures in houses on a national level, including only life cycle analyses of additional thermal insulation measures on single houses. Chap 2 describes the dwelling stock in Norway. Chaps 3 and 4 present an estimation model for total energy consumption and emissions to air from the dwelling stock, and calculations using the model. Chaps 5 and 6 propose and use a calculation method for the assessment of additional thermal insulation measures, using a ``cradle-to-grave`` approach. Since hydroelectric power is the main energy source in this sector in Norway, estimated payback periods for emissions to air are long. But hydroelectric power saved in this sector may be used to obtain reduction in fossil fuel use in other sectors as discussed in Chap 7. Some of the topics discussed are further elaborated on in appendices. 107 refs., 39 figs, 88 tabs.

Measurement of the photon-proton total cross section at a center-of-mass energy of 209 GeV at HERA

International Nuclear Information System (INIS)

Chekanov, S.; Derrick, M.; Krakauer, D.; Magill, S.; Musgrave, B.; Pellegrino, A.; Repond, J.; Yoshida, R.; Mattingly, M.C.K.; Antonioli, P.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Cara Romeo, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; De Pasquale, S.; Giusti, P.; Iacobucci, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; Pesci, A.; Sartorelli, G.; Zichichi, A.; Aghuzumtsyan, G.; Bartsch, D.; Brock, I.; Crittenden, J.; Goers, S.; Hartmann, H.; Hilger, E.; Irrgang, P.; Jakob, H.-P.; Kappes, A.; Katz, U.F.; Kerger, R.; Kind, O.; Paul, E.; Rautenberg, J.; Renner, R.; Schnurbusch, H.; Stifutkin, A.; Tandler, J.; Voss, K.C.; Weber, A.; Wessoleck, H.; Bailey, D.S.; Brook, N.H.; Cole, J.E.; Foster, B.; Heath, G.P.; Heath, H.F.; Robins, S.; Rodrigues, E.; Scott, J.; Tapper, R.J.; Wing, M.; Capua, M.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Jeoung, H.Y.; Kim, J.Y.; Lee, J.H.; Lim, I.T.; Ma, K.J.; Pac, M.Y.; Caldwell, A.; Helbich, M.; Liu, X.; Mellado, B.; Paganis, S.; Schmidke, W.B.; Sciulli, F.; Chwastowski, J.; Eskreys, A.; Figiel, J.; Olkiewicz, K.; Przybycien, M.B.; Stopa, P.; Zawiejski, L.; Bednarek, B.; Grabowska-Bold, I.; Jelen, K.; Kisielewska, D.; Kowal, A.M.; Kowal, M.; Kowalski, T.; Mindur, B.; Przybycien, M.; Rulikowska-Zarebska, E.; Suszycki, L.; Szuba, D.; Szuba, J.; Kotanski, A.; Slominski, W.; Bauerdick, L.A.T.; Behrens, U.; Borras, K.; Chiochia, V.; Dannheim, D.; Desler, K.; Drews, G.; Fourletova, J.; Fox-Murphy, A.; Fricke, U.; Geiser, A.; Goebel, F.; Goettlicher, P.; Graciani, R.; Haas, T.; Hain, W.; Hartner, G.F.; Hillert, S.; Koetz, U.; Kowalski, H.; Labes, H.; Lelas, D.; Loehr, B.; Mankel, R.; Martens, J.; Martinez, M.; Moritz, M.; Notz, D.; Petrucci, M.C.; Polini, A.; Schneekloth, U.; Selonke, F.; Stonjek, S.; Surrow, B.; Whitmore, J.J.; Wichmann, R.; Wolf, G.; Youngman, C.; Zeuner, W.; Coldewey, C.; Lopez-Duran Viani, A.; Meyer, A.; Schlenstedt, S.; Barbagli, G.; Gallo, E.; Genta, C.; Pelfer, P.G.; Bamberger, A.; Benen, A.; Coppola, N.; Markun, P.; Raach, H.; Woelfle, S.; Bell, M.; Bussey, P.J.; Doyle, A.T.; Glasman, C.; Hanlon, S.; Lee, S.W.; Lupi, A.; McCance, G.J.; Saxon, D.H.; Skillicorn, I.O.; Bodmann, B.; Holm, U.; Salehi, H.; Wick, K.; Ziegler, A.; Ziegler, Ar.; Carli, T.; Gialas, I.; Klimek, K.; Lohrmann, E.; Milite, M.; Collins-Tooth, C.; Foudas, C.; Goncalo, R.; Long, K.R.; Metlica, F.; Miller, D.B.; Tapper, A.D.; Walker, R.; Cloth, P.; Filges, D.; Kuze, M.; Nagano, K.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Barakbaev, A.N.; Boos, E.G.; Pokrovskiy, N.S.; Zhautykov, B.O.; Ahn, S.H.; Lee, S.B.; Park, S.K.; Lim, H.; Son, D.; Barreiro, F.; Garcia, G.; Gonzalez, O.; Labarga, L.; del Peso, J.; Redondo, I.; Terron, J.; Vazquez, M.; Barbi, M.; Bertolin, A.; Corriveau, F.; Ochs, A.; Padhi, S.; Stairs, D.G.; St-Laurent, M.; Tsurugai, T.; Antonov, A.; Bashkirov, V.; Danilov, P.; Dolgoshein, B.A.; Gladkov, D.; Sosnovtsev, V.; Suchkov, S.; Dementiev, R.K.; Ermolov, P.F.; Golubkov, Yu.A.; Katkov, I.I.; Khein, L.A.; Korotkova, N.A.; Korzhavina, I.A.; Kuzmin, V.A.; Levchenko, B.B.; Lukina, O.Yu.; Proskuryakov, A.S.; Shcheglova, L.M.; Solomin, A.N.; Vlasov, N.N.; Zotkin, S.A.; Bokel, C.; Engelen, J.; Grijpink, S.; Koffeman, E.; Kooijman, P.; Maddox, E.; Schagen, S.; Tassi, E.; Tiecke, H.; Tuning, N.; Velthuis, J.J.; Wiggers, L.; de Wolf, E.; Bruemmer, N.; Bylsma, B.; Durkin, L.S.; Gilmore, J.; Ginsburg, C.M.; Kim, C.L.; Ling, T.Y.; Boogert, S.; Cooper-Sarkar, A.M.; Devenish, R.C.E.; Ferrando, J.; Matsushita, T.; Rigby, M.; Ruske, O.; Sutton, M.R.; Walczak, R.; Brugnera, R.; Carlin, R.; Dal Corso, F.; Dusini, S.; Garfagnini, A.; Limentani, S.; Longhin, A.; Parenti, A.; Posocco, M.; Stanco, L.; Turcato, M.; Adamczyk, L.; Oh, B.Y.; Saull, P.R.B.; Iga, Y.; D'Agostini, G.; Marini, G.; Nigro, A.; Cormack, C.; Hart, J.C.; McCubbin, N.A.; Heusch, C.; Park, I.H.; Pavel, N.; Abramowicz, H.; Dagan, S.; Gabareen, A.; Kananov, S.; Kreisel, A.; Levy, A.; Abe, T.; Fusayasu, T.; Kohno, T.; Umemori, K.; Yamashita, T.; Hamatsu, R.; Hirose, T.; Inuzuka, M.; Kitamura, S.; Matsuzawa, K.; Nishimura, T.; Arneodo, M.; Cartiglia, N.; Cirio, R.; Costa, M.; Ferrero, M.I.; Maselli, S.; Monaco, V.; Peroni, C.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Galea, R.; Koop, T.; Levman, G.M.; Martin, J.F.; Mirea, A.; Sabetfakhri, A.; Butterworth, J.M.; Gwenlan, C.; Hall-Wilton, R.; Hayes, M.E.; Heaphy, E.A.; Jones, T.W.; Lane, J.B.; Lightwood, M.S.; West, B.J.; Ciborowski, J.; Ciesielski, R.; Grzelak, G.; Nowak, R.J.; Pawlak, J.M.; Smalska, B.; Sztuk, J.; Tymieniecka, T.; Ukleja, A.; Ukleja, J.; Zakrzewski, J.A.; Zarnecki, A.F.; Adamus, M.; Plucinski, P.; Eisenberg, Y.; Gladilin, L.K.; Hochman, D.; Karshon, U.; Breitweg, J.; Chapin, D.; Cross, R.; Kcira, D.; Lammers, S.; Reeder, D.D.; Savin, A.A.; Smith, W.H.; Deshpande, A.; Dhawan, S.; Hughes, V.W.; Straub, P.B.; Bhadra, S.; Catterall, C.D.; Fourletov, S.; Menary, S.; Soares, M.; Standage, J.

2002-01-01

The photon-proton total cross section has been measured in the process e + p→e + γp→e + X with the ZEUS detector at HERA. Events were collected with photon virtuality Q 2 2 and average γp center-of-mass energy W γp =209 GeV in a dedicated run, designed to control systematic effects, with an integrated luminosity of 49 nb -1 . The measured total cross section is σ tot γp =174±1 (stat.)±13 (syst.) μb. The energy dependence of the cross section is compatible with parameterizations of high-energy pp and pp-bar data

A panel data parametric frontier technique for measuring total-factor energy efficiency: An application to Japanese regions

International Nuclear Information System (INIS)

Honma, Satoshi; Hu, Jin-Li

2014-01-01

Using the stochastic frontier analysis model, we estimate TFEE (total-factor energy efficiency) scores for 47 regions across Japan during the years 1996–2008. We extend the cross-sectional stochastic frontier model proposed by Zhou et al. (2012) to panel data models and add environmental variables. The results provide not only the TFEE scores, in which statistical noise is taken into account, but also the determinants of inefficiency. The three stochastic TFEE scores are compared with a TFEE score derived using data envelopment analysis. The four TFEE scores are highly correlated with one another. For the inefficiency estimates, higher manufacturing industry shares and wholesale and retail trade shares correspond to lower TFEE scores. - Highlights: • This study estimates total-factor energy efficiency of Japanese regions using the stochastic frontier analysis model. • Determinants of inefficiency are also estimated. • The higher the manufacturing share and wholesale and retail trade share, the lower the energy efficiency

Beverage Consumption Habits in Italian Population: Association with Total Water Intake and Energy Intake

Directory of Open Access Journals (Sweden)

Lorenza Mistura

2016-10-01

Full Text Available Background: The aim of this study was to investigate total water intake (TWI from water, beverages and foods among Italian adults and the elderly. Methods: Data of 2607 adults and the elderly, aged 18–75 years from the last national food consumption survey, INRAN-SCAI 2005-06, were used to evaluate the TWI. The INRAN-SCAI 2005-06 survey was conducted on a representative sample of 3323 individuals aged 0.1 to 97.7 years. A 3-day semi-structured diary was used for participants to record the consumption of all foods, beverages and nutritional supplements. Results: On average, TWI was 1.8 L for men and 1.7 L for women. More than 75% of women and 90% of men did not comply with the European Food Safety Authority (EFSA Adequate Intake. The contribution of beverages to the total energy intake (EI was 6% for the total sample. Water was the most consumed beverage, followed by alcoholic beverages for men and hot beverages for women. Conclusion: According to the present results, adults and elderly Italians do not reach the adequate intake for water as suggested by the EFSA and by the national reference level of nutrient and energy intake. Data on water consumption should also be analyzed in single socio-demographic groups in order to identify sub-groups of the population that need more attention and to plan more targeted interventions.

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

Science.gov (United States)

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

1994-01-01

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

Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS.

Science.gov (United States)

Haghighi Mood, Kaveh; Lüchow, Arne

2017-08-17

Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule. For the first time, quantum Monte Carlo orbital optimization for transition metal compounds is performed. It is demonstrated that energy optimization of the orbitals of a complete active space wave function in the presence of a Jastrow correlation function is required to obtain agreement with the experimental dissociation energy. Furthermore, it is shown that orbital optimization leads to a 5 Δ ground state, in agreement with experiments but in disagreement with other high-level ab initio wave function calculations which all predict a 5 Σ + ground state. The role of the Jastrow factor in DMC calculations with pseudopotentials is investigated. The results suggest that a large Jastrow factor may improve the DMC accuracy substantially at small additional cost.

Low energy positron interactions with uracil—Total scattering, positronium formation, and differential elastic scattering cross sections

Energy Technology Data Exchange (ETDEWEB)

Anderson, E. K.; Boadle, R. A.; Machacek, J. R.; Makochekanwa, C.; Sullivan, J. P. [ARC Centre for Antimatter-Matter Studies, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); Chiari, L. [ARC Centre for Antimatter-Matter Studies, Flinders University, GPO Box 2100, Adelaide, 5001 SA (Australia); Buckman, S. J., E-mail: Stephen.buckman@anu.edu.au [ARC Centre for Antimatter-Matter Studies, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia); Brunger, M. J. [ARC Centre for Antimatter-Matter Studies, Flinders University, GPO Box 2100, Adelaide, 5001 SA (Australia); Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia); Garcia, G. [Instituto de Fısica Fundamental, Consejo Superior de Investigationes Cientıficas (CSIC), Serrano 113-bis, E-28006 Madrid (Spain); Blanco, F. [Departamento de Fısica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Ingolfsson, O. [Department of Chemistry, Science Institute, University of Iceland, Reykjavík 107 (Iceland)

2014-07-21

Measurements of the grand total and total positronium formation cross sections for positron scattering from uracil have been performed for energies between 1 and 180 eV, using a trap-based beam apparatus. Angular, quasi-elastic differential cross section measurements at 1, 3, 5, 10, and 20 eV are also presented and discussed. These measurements are compared to existing experimental results and theoretical calculations, including our own calculations using a variant of the independent atom approach.

Test of the universal rise of hadronic total cross sections at super-high energies

International Nuclear Information System (INIS)

Ishida, Muneyuki; Igi, Keiji

2007-01-01

The increase of the total cross sections at very high energies described by log 2 (s/s 0 ) appears to be confirmed. In the analysis of the COMPETE collaboration in the Particle Data Group (2006), the Blog 2 (s/s 0 ) was assumed to extend the universal rise of all the total hadronic cross sections to reduce the number of adjustable parameters. We test if the assumption on the universality of B is justified, through investigation of the values of B for π ± p(K ± p) and pp,pp scatterings. We search for the simultaneous best fit to the σ tot and ρ ratios, using a constraint from the FESR of the P' type for π -+ p scatterings and constraints that are free from the unphysical regions for the pp, pp and K ± p scatterings. By including rich information of the low-energy scattering data owing to the use of FESR, the errors of the B parameters decrease especially for πp. The resulting value of B pp is consistent with B πp within two standard deviations, which appears to support the universality hypothesis. (orig.)

Electromagnetic Compatibility of Transcutaneous Energy Transmission Systemfor Totally Implantable Artificial Heart

Science.gov (United States)

Shiba, Kenji; Koshiji, Kohji

Transcutaneous Energy Transmission (TET) is one way of providing the energy needed to power a totally implantable artificial heart (TIAH). In the present study, an externally coupled TET system was implanted in a prototype human phantom to evaluate emission and immunity. In the emission evaluation, measurements were conducted based on CISPR Pub.11 and VDE 0871 standards, while immunity tests were based on the standards of the IEC 61000-4 series. The magnetic field of the radiated emission was measured using a loop antenna. At 0.1[MHz], we found the greatest magnetic field of 47.8 [dBμA/m], somewhat less than CISPR’s upper limit of 54 [dBμA/m]. For the conducted emission, by installing a noise filter and ferrite beads in the input section of the DC-power supply, conducted emission could be kept within the allowable limits of CISPR Pub.11 and VDE 0871. Finally, the immunity tests against radiated and conducted emission, electrostatic discharge and voltage fluctuation proved that the prototype could withstand the maximum level of disturbance. These results confirmed that the TET system implanted in a human phantom could, through modification, meet the emission and immunity standards.

Fast calculation of molecular total energy with ABEEMσπ/MM method – For some series of organic molecules and peptides

International Nuclear Information System (INIS)

Yang, Zhong-Zhi; Lin, Xiao-Ting; Zhao, Dong-Xia

2016-01-01

Highlights: • ABEEMσπ/MM method can be used to fast and accurately calculate the molecular total energy. • The energy obtained by ABEEMσπ/MM is in fair agreement with those from MP2/6-311++G(d, p). • ABEEMσπ charge can represent the anisotropy of the partial atomic charge. - Abstract: A new ABEEMσπ/MM method for fast calculation of molecular total energy is established by combining ABEEMσπ model with force field representation, where ABEEMσπ is the atom-bond electronegativity equalization model at the σπ level. The calibrated parameters are suitable and transferable. This paper demonstrates that the total molecular energies for series of alcohols, aldehydes, carboxylic acids and peptides calculated by ABEEMσπ/MM method are in fair agreement with those obtained from calculations of ab initio MP2/6-311++G(d, p) method with mean absolute deviation (MAD) being 1.45 kcal/mol and their linear correlation coefficients being 1.0000. Thus it opens good prospects for wide applications to chemical and biological systems.

Measurement of antiproton-proton elastic scattering and total cross section at a centre-of-mass energy of 546 GeV

International Nuclear Information System (INIS)

Swol, R.W. van.

1985-01-01

The transformation of the CERN Super Proton Synchrotron (SPS) from a fixed target machine into a colliding beam facility allowed the study of antiproton-proton scattering at a centre-of-mass (CM) energy of 546 GeV. This thesis describes the measurement of antiproton-proton elastic scattering and the antiproton-proton total cross section, sigmasub(tot)(anti pp), at the CERN anti pp Collider. The aim of the experiment is to establish the considerable rise with energy of the total cross section, which was predicted after the discovery of rising proton-proton total cross sections at the CERN Intersecting Storage Rings (ISR), covering an energy range of 20-60 GeV. The experimental method used for measuring sigmasub(tot)(anti pp) with an accuracy of 1-2% consists of the simultaneous measurement of both the elastic scattering event rate at small scattering angles and the inelastic interaction rate. Using the optical theorem, the total and the elastic cross sections can then be obtained without a determination of the machine luminosity. (Auth.)

The balance of kinetic and total energy simulated by the OSU two-level atmospheric general circulation model for January and July

Science.gov (United States)

Wang, J.-T.; Gates, W. L.; Kim, J.-W.

1984-01-01

A three-year simulation which prescribes seasonally varying solar radiation and sea surface temperature is the basis of the present study of the horizontal structure of the balances of kinetic and total energy simulated by Oregon State University's two-level atmospheric general circulation model. Mechanisms responsible for the local energy changes are identified, and the energy balance requirement's fulfilment is examined. In January, the vertical integral of the total energy shows large amounts of external heating over the North Pacific and Atlantic, together with cooling over most of the land area of the Northern Hemisphere. In July, an overall seasonal reversal is found. Both seasons are also characterized by strong energy flux divergence in the tropics, in association with the poleward transport of heat and momentum.

Total, partial and differential ionization cross sections in proton-hydrogen collisions at low energy

Energy Technology Data Exchange (ETDEWEB)

Zou, Shiyang [Graduate University for Advanced Studies, School of Mathematical and Physical Science, Toki, Gifu (Japan); Pichl, Lukas [University of Aizu, Foundation of Computer Science Laboratory, Aizuwakamatsu, Fukushima (Japan); Kimura, Mineo [Yamaguchi Univ., Graduate School of Science and Engineering, Ube, Yamaguchi (Japan); Kato, Takako [National Inst. for Fusion Science, Toki, Gifu (Japan)

2003-01-01

Single-differential, partial and total ionization cross sections for the proton-hydrogen collision system at low energy range (0.1-10 keV/amu) are determined by using the electron translation factor corrected molecular-orbital close-coupling method. Full convergence of ionization cross sections as a function of H{sub 2}{sup +} molecular basis size is achieved by including up to 10 bound states, and 11 continuum partial waves. The present cross sections are in an excellent agreement with the recent experiments of Shah et al., but decrease more rapidly than the cross sections measured by Pieksma et al. with decreasing energy. The calculated cross section data are included in this report. (author)

Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

International Nuclear Information System (INIS)

Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E

2012-01-01

Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.

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

International Nuclear Information System (INIS)

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

2003-01-01

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

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

CERN Document Server

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

2003-01-01

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

Utilisation of total solar radiation energy in the photosynthetic production of radish, red beet and bean

Directory of Open Access Journals (Sweden)

Wiesław Nowakowski

2014-01-01

Full Text Available Utilisation of total solar radiation energy in the photosynthetic production of radish, red beet and bean is expressed as per cent of solar radiation accumulated in the carbon of -the dry mass per 1 cm2 of the assimilation surface area. Utilisation of this energy ranges from 2.6 to 8.4 per cent in radish, from 1.7 to 7.5 per cent in beet and from 1.9 to 4.9 per cent in bean.

Manifestation of jet quenching in differential distributions of the total transverse energy in nucleus-nucleus collisions

International Nuclear Information System (INIS)

Savina, M.V.; Shmatov, S.V.; Slavin, N.V.; Zarubin, P.I.

1998-01-01

In the framework of the HIJING model, global characteristics of nucleus-nucleus collisions are studied for a Large Hadron Collider (LHC) energy scale. An interesting model prediction is the presence of a central bump over a pseudorapidity plateau of a total transverse energy distribution. The bump is induced by a jet quenching effect in a dense nuclear matter. It is shown that a wide acceptance calorimeter with a pseudorapidity coverage -5<η<5 allows one to obtain experimental confirmation of such an effect

Mid-South solar total energy: institutional analysis. Final report, May 1, 1978-December 31, 1979

Energy Technology Data Exchange (ETDEWEB)

Powe, R.E.; Carley, C.T.; Forbes, R.E.; Johnson, L.R.; Stiffler, A.K.; Hodge, B.K.; Bouchillon, C.W.

1979-01-01

A comprehensive survey was undertaken to determine the current usage of energy by the Mississippi State University, considering electricity and fuel separately. A variety of individual components likely to be employed in total energy systems are then considered in detail, including: solar assisted space heating system, space cooling system design, solar electric system, flat plate solar collector system, central solar receiver, and geothermal heat pump system. Also, algorithms have been developed for the approximate prediction of building heating and cooling loads based on gross parameters such as floor area, type of wall construction, etc. System considerations and evaluation are then presented. (LEW)

Design of a bolometer for total-energy measurement of the linear coherent light source pulsed X-ray laser

Energy Technology Data Exchange (ETDEWEB)

Friedrich, S. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States)]. E-mail: Friedrich1@llnl.gov; Li, L. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States); Ott, L.L. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States); Kolgani, Rajeswari M. [Department of Physics, Geosciences and Astronomy, Towson University, 8000 York Avenue, Towson MD 21252 (United States); Yong, G.J. [Department of Physics, Geosciences and Astronomy, Towson University, 8000 York Avenue, Towson MD 21252 (United States); Ali, Z.A. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States); Drury, O.B. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States); Ables, E. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States); Bionta, R.M. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore CA 94550 (United States)

2006-04-15

We are developing a cryogenic bolometer to measure the total energy of the linear coherent light source (LCLS) free electron X-ray laser to be built at the Stanford Linear Accelerator Center. The laser will produce ultrabright X-ray pulses in the energy range between 0.8 and 8 keV with {approx}10{sup 12} photons per {approx}200 fs pulse at a repeat interval of 8 ms, and will be accompanied by a halo of spontaneous undulator radiation. The bolometer is designed to determine the total energy of each laser pulse to within <0.1%, taking into account thermal and mechanical stress to prevent melting in the LCLS beam due to its high energy density. We propose to use a magnetoresistive Nd{sub (1-} {sub x} {sub )}Sr {sub x} MnO{sub 3} sensor array at the metal-insulator transition, where the composition x is adjusted to produce the desired transition temperature. We discuss design considerations and material choices, and present numerical simulations of the thermal response.

Mixing alcohol with energy drink (AMED) and total alcohol consumption : a systematic review and meta-analysis

NARCIS (Netherlands)

Verster, Joris C|info:eu-repo/dai/nl/241442702; Benson, Sarah; Johnson, Sean J; Scholey, Andrew; Alford, Chris

It has been suggested that consuming alcohol mixed with energy drink (AMED) may increase total alcohol consumption. Aims of this systematic review and meta-analysis were (i) to compare alcohol consumption of AMED consumers with alcohol only (AO) consumers (between-group comparisons), and (ii) to

Absence of a Scott correction for the total binding energy of noninteracting fermions in a smooth potential well

International Nuclear Information System (INIS)

Huxtable, B.D.

1988-01-01

It is shown, for V in a particular class of smooth functions, that the total binding energy, E(Z), of Z noninteracting Fermions in the potential well Z 4/3 V(Z 1/3 X) obeys E(Z) = c TF (V)Z 7/3 + O(Z 5/3 ) as Z → ∞. Here c TF (V) is the coefficient predicted by Thomas-Fermi theory. This result is consistent with the conjectured Scott correction, which occurs at order Z 2 , to the total binding energy of an atomic number Z. This correction is thought to arise only because V(x)∼ - |x| -1 near x = 0 in the atomic problem, and so V is not a smooth function

Embedded piezoelectrics for sensing and energy harvesting in total knee replacement units

Science.gov (United States)

Wilson, Brooke E.; Meneghini, Michael; Anton, Steven R.

2015-04-01

The knee replacement is the second most common orthopedic surgical intervention in the United States, but currently only 1 in 5 knee replacement patients are satisfied with their level of pain reduction one year after surgery. It is imperative to make the process of knee replacement surgery more objective by developing a data driven approach to ligamentous balance, which increases implant life. In this work, piezoelectric materials are considered for both sensing and energy harvesting applications in total knee replacement implants. This work aims to embed piezoelectric material in the polyethylene bearing of a knee replacement unit to act as self-powered sensors that will aid in the alignment and balance of the knee replacement by providing intraoperative feedback to the surgeon. Postoperatively, the piezoelectric sensors can monitor the structural health of the implant in order to perceive potential problems before they become bothersome to the patient. Specifically, this work will present on the use of finite element modeling coupled with uniaxial compression testing to prove that piezoelectric stacks can be utilized to harvest sufficient energy to power sensors needed for this application.

The Study of Prompt and Delayed Muon Induced Fission. I.Total kinetic energies and mass distributions

NARCIS (Netherlands)

David, P; Hartfiel, J.; Janszen, H.; Petitjean, C.; Reist, H.W.; Polikanov, S.M.; Konijn, J.; Laat, de C.T.A.M.; Taal, A.; Krogulski, T.; Johansson, T.; Tibell, G.; Achard van Enschut, d' J.F.M.

1987-01-01

Mass yield and total kinetic energy release (TKE) distributions of fragments from prompt and delayed muon induced fission, separately, have been measured for the isotopes235U,238U,237Np and242Pu. The distributions from prompt muon induced fission are compared with the corresponding distributions

Classical calculation of the total ionization energy of helium-like atoms

International Nuclear Information System (INIS)

Karastoyanov, A.

1990-01-01

Quantum mechanics rejects the classical modelling of microworld. One of the reasons is that the Bohr's rules can not be applied for many-electron atoms and molecules. But the many-body problem in classical mechanics has no analytical solution even for 3 particles. Numerical solutions should be used. The quantum Bohr's rule expressing the moment of momentum conservation for two particles is invalid in more complicated cases. Yet Bohr reached some success for helium-like atoms. The Bohr's formula concerning helim-like atoms is deduced again in this paper and its practical reliability is analyzed with contemporary data. The binding energy of the system is obtained in the simple form E=(Z-1/4) 2 α 2 mc 2 , where Z is the atomic number, α - the fine structure constant, M - the electron mass and c - the light speed in vacuum. The calculated values are compared with experimental data on the total ionization energy of the helium-like atoms from 2 He 4 to 29 Cu 64 . The error decreases quickly with the increasing of atomic mass, reaching zero for Cu. This indicated that the main source of error is the nucleus motion. The role of other possible causes is analyzed and proves negligible. (author). 1 tab, 4 refs

Total Energy Recovery System for Agribusiness: Lake County study. Final report

Energy Technology Data Exchange (ETDEWEB)

Fogleman, S.F.; Fisher, L.A.; Black, A.R.

1978-04-01

A brief summary is given of the results of a previously reported study designed to evaluate the costs and viability of combined thermodynamic and biologic cycles in a system known as the Total Energy Recovery System for Agribusiness (TERSA). This conceptual system involved the combined geothermally assisted activities of greenhouse crop and mushroom growing, fish farming, and biogas generation in an integrated biologic system such that the waste or by-products of each subsystem cycle were recovered to service input needs of companion cycles. An updated direct use geothermal system based on TERSA that is viable for implementation in Lake County is presented. Particular consideration is given to: location of geothermal resources, availability of land and irrigation quality water, compatibility of the specific direct use geothermal activities with adjacent and local uses. Private interest and opposition, and institutional factors as identified. Factors relevant to local TERSA implementation are discussed, followed by sites considered, selection criteria, site slection, and the modified system resulting. Particular attention is paid to attempt to make clear the process followed in applying this conceptual design to the specific task of realistic local implementation. Previous publications on geothermal energy and Lake County are referenced where specific details outside the scope of this study may be found. (JGB)

The role of eating frequency on total energy intake and diet quality in a low-income, racially diverse sample of schoolchildren.

Science.gov (United States)

Evans, E Whitney; Jacques, Paul F; Dallal, Gerard E; Sacheck, Jennifer; Must, Aviva

2015-02-01

The relationship of meal and snacking patterns with overall dietary intake and relative weight in children is unclear. The current study was done to examine how eating, snack and meal frequencies relate to total energy intake and diet quality. The cross-sectional associations of eating, meal and snack frequencies with total energy intake and diet quality, measured by the Healthy Eating Index 2005 (HEI-2005), were examined in separate multivariable mixed models. Differences were examined between elementary school-age participants (9-11 years) and adolescents (12-15 years). Two non-consecutive 24 h diet recalls were collected from children attending four schools in the greater Boston area, MA, USA. One hundred and seventy-six schoolchildren, aged 9-15 years. Overall, 82% of participants consumed three daily meals. Eating, meal and snack frequencies were statistically significantly and positively associated with total energy intake. Each additional reported meal and snack was associated with an 18·5% and a 9·4% increase in total energy intake, respectively (Pquality differed by age category. In elementary school-age participants, total eating occasions and snacks increased HEI-2005 score. In adolescents, each additional meal increased HEI-2005 score by 5·40 points (P=0·01), whereas each additional snack decreased HEI-2005 score by 2·73 points (P=0·006). Findings suggest that snacking increases energy intake in schoolchildren. Snacking is associated with better diet quality in elementary school-age children and lower diet quality in adolescents. Further research is needed to elucidate the role of snacking in excess weight gain in children and adolescents.

Neutron radiography with ultracold neutrons

International Nuclear Information System (INIS)

Bates, J.C.

1981-01-01

The neutron transmission factor of very thin films may be low if the neutron energy is comparable to the pseudo-potential of the film material. Surprisingly, perhaps, it is relatively easy to obtain neutrons with such low energies in sufficient numbers to produce neutron radiographs. (orig.)

Real-space formulation of the electrostatic potential and total energy of solids

International Nuclear Information System (INIS)

Pask, J E; Sterne, P A

2004-01-01

We develop expressions for the electrostatic potential and total energy of crystalline solids which are amenable to direct evaluation in real space. Unlike conventional reciprocal space formulations, no Fourier transforms or reciprocal lattice summations are required, and the formulation is well suited for large-scale, parallel computations. The need for reciprocal space expressions is eliminated by replacing long-range potentials by equivalent localized charge distributions and incorporating long-range interactions into boundary conditions on the unit cell. In so doing, a simplification of the conventional reciprocal space formalism is obtained. The equivalence of the real- and reciprocal space formalisms is demonstrated by direct comparison in self-consistent density-functional calculations

The Total Energy Efficiency Index for machine tools

International Nuclear Information System (INIS)

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

2016-01-01

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

Achievement report on research and development in the Sunshine Project in fiscal 1980. Research on a hydrogen energy total system; 1980 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This paper describes research on a hydrogen energy total system. Fiscal 1980 has surveyed R/D technologies in the sectors anticipated to have large possibility of introducing hydrogen in Japan's energy systems in the future (ammonia/methanol industries, automobiles and aircraft fuel), and discussed the possibility of the introduction. The value factors (VF) applied to them are 1.7 for the ammonia industry, 1.1 to 1.6 for the methanol industry, 1.4 for gasoline as automobile and jet fuel, and 2.8 for jet fuel. Whether hydrogen would be introduced in all of these sectors depends on conditions of introducing hydrogen utilizing HTGR heat, and the VF of hydrogen against competing energies. Therefore, case studies were performed by using these factors as the parameters. If the VF is fixed and HTGR introduction speed is accelerated, introduction of hydrogen will be accelerated in the fields of chemical materials, air conditioning and process heat. On the other hand, the introduction will decrease in the automobile and aircraft fuel fields. If the methanol VF is made smaller, hydrogen introduction will be decelerated in the chemical industry field (methanol), and that in the air conditioning, automobiles and aircraft fuel fields will be accelerated. (NEDO)

Theoretical study of the aluminum melting curve to very high pressure

International Nuclear Information System (INIS)

Moriarty, J.A.; Young, D.A.; Ross, M.

1984-01-01

A detailed theoretical study of the Al melting curve from normal melting conditions to pressures in the vicinity of 2 Mbar is presented. The analysis is based on two parallel, but distinct, treatments of the metal: the first from rigorous generalized pseudopotential theory involving first-principles nonlocal pseudopotentials and the second from a parametrized local pseudopotential model which has been accurately fit to first-principles band-theory and experimental equation-of-state data. Both treatments utilize full lattice-dynamical calculations of the phonon free energy in the solid, within the harmonic approximation, and fluid variational theory to obtain the free energy of the liquid. Particular attention is focused on the choice of the reference system in implementing the fluid variational theory. It is shown that in Al the soft-sphere model of Ross produces a lower (and hence more accurate) liquid free energy than either the hard-sphere or one-component-plasma reference systems, and is, moreover, necessary to obtain a reasonable quantitative description of the melting properties. With the soft-sphere system, the two theoretical treatments give results in good overall agreement with each other and with experiment. In particular, melting on the shock Hugoniot is predicted to begin at about 1.2 Mbar and to end at about 1.55 Mbar, in excellent agreement with the recent preliminary measurements of McQueen

Total-Factor Energy Efficiency in BRI Countries: An Estimation Based on Three-Stage DEA Model

Directory of Open Access Journals (Sweden)

Changhong Zhao

2018-01-01

Full Text Available The Belt and Road Initiative (BRI is showing its great influence and leadership on the international energy cooperation. Based on the three-stage DEA model, total-factor energy efficiency (TFEE in 35 BRI countries in 2015 was measured in this article. It shows that the three-stage DEA model could eliminate errors of environment variable and random, which made the result better than traditional DEA model. When environment variable errors and random errors were eliminated, the mean value of TFEE was declined. It demonstrated that TFEE of the whole sample group was overestimated because of external environment impacts and random errors. The TFEE indicators of high-income countries like South Korea, Singapore, Israel and Turkey are 1, which is in the efficiency frontier. The TFEE indicators of Russia, Saudi Arabia, Poland and China are over 0.8. And the indicators of Uzbekistan, Ukraine, South Africa and Bulgaria are in a low level. The potential of energy-saving and emissions reduction is great in countries with low TFEE indicators. Because of the gap in energy efficiency, it is necessary to distinguish different countries in the energy technology options, development planning and regulation in BRI countries.

Effect of pressure on some physical properties of gallium based semiconductors

International Nuclear Information System (INIS)

Vyas, P S; Thakore, B Y; Jani, A R; Gajjar, P N

2012-01-01

The gallium based semiconductor compounds are very useful materials for optical spectroscopy and optoelectronic applications, we have studied the effect of pressure on various physical properties like total energy, static bulk modulus, energy band gap at the point X on the Jones-zone face, pressure derivative of bulk modulus and equation of state of gallium based binary compounds GaSb, GaAs, GaP and GaN using pseudopotential theory beyond second order with our well established single parametric model potential. We have incorporated Nagy's static local field correction function to include exchange and correlation effects. The results are compared with those obtained using few other local field correction functions. The present results agree satisfactorily with available experimental and other such theoretical data confirming the application.

Total energy intake may be more associated with glycemic control compared to each proportion of macronutrients in the korean diabetic population.

Science.gov (United States)

Kang, Hye Mi; Kim, Dong-Jun

2012-08-01

Major macronutrients for energy intake vary among countries and cultures. Carbohydrates, including rice, are the major component of daily energy intake in Korea. The aim of this study was to examine the association of daily energy intake or each proportion of macronutrients, especially carbohydrates, with glycemic control in diabetic Koreans. A total of 334 individuals with diabetes (175 men, age 57.4±0.8 years; 159 women, age 60.9±0.9 years) who participated in the 2005 Korean National Health and Nutrition Examination Survey were examined. Glycemic control was categorized based on concentration of glycated hemoglobin (HbA1c; HbA1c ≤6.5%; 6.6% to 8.0%; ≥8.1%). Dietary intake was assessed by using a 24-recall item questionnaire. High total energy intake was associated with poor glycemic control (HbA1c ≤6.5%, 1,824±75 kcal; 6.6% to 8.0%, 1,990±57 kcal; ≥8.1%, 2,144±73 kcal; P value for trend=0.002). Each proportion of protein, fat, or carbohydrate was not associated with glycemic control. Even after adjusting for several parameters, the association of daily energy intake with glycemic control still persisted. Total energy intake may be more closely related to glycemic control than each proportionof macronutrients in Korean diabetics.

Total Energy Intake May Be More Associated with Glycemic Control Compared to Each Proportion of Macronutrients in the Korean Diabetic Population

Directory of Open Access Journals (Sweden)

Hye Mi Kang

2012-08-01

Full Text Available BackgroundMajor macronutrients for energy intake vary among countries and cultures. Carbohydrates, including rice, are the major component of daily energy intake in Korea. The aim of this study was to examine the association of daily energy intake or each proportion of macronutrients, especially carbohydrates, with glycemic control in diabetic Koreans.MethodsA total of 334 individuals with diabetes (175 men, age 57.4±0.8 years; 159 women, age 60.9±0.9 years who participated in the 2005 Korean National Health and Nutrition Examination Survey were examined. Glycemic control was categorized based on concentration of glycated hemoglobin (HbA1c; HbA1c ≤6.5%; 6.6% to 8.0%; ≥8.1%. Dietary intake was assessed by using a 24-recall item questionnaire.ResultsHigh total energy intake was associated with poor glycemic control (HbA1c ≤6.5%, 1,824±75 kcal; 6.6% to 8.0%, 1,990±57 kcal; ≥8.1%, 2,144±73 kcal; P value for trend=0.002. Each proportion of protein, fat, or carbohydrate was not associated with glycemic control. Even after adjusting for several parameters, the association of daily energy intake with glycemic control still persisted.ConclusionTotal energy intake may be more closely related to glycemic control than each proportionof macronutrients in Korean diabetics.

Total Energy Expenditure, Energy Intake, and Body Composition in Endurance Athletes Across the Training Season: A Systematic Review.

Science.gov (United States)

Heydenreich, Juliane; Kayser, Bengt; Schutz, Yves; Melzer, Katarina

2017-12-01

Endurance athletes perform periodized training in order to prepare for main competitions and maximize performance. However, the coupling between alterations of total energy expenditure (TEE), energy intake, and body composition during different seasonal training phases is unclear. So far, no systematic review has assessed fluctuations in TEE, energy intake, and/or body composition in endurance athletes across the training season. The purpose of this study was to (1) systematically analyze TEE, energy intake, and body composition in highly trained athletes of various endurance disciplines and of both sexes and (2) analyze fluctuations in these parameters across the training season. An electronic database search was conducted on the SPORTDiscus and MEDLINE (January 1990-31 January 2015) databases using a combination of relevant keywords. Two independent reviewers identified potentially relevant studies. Where a consensus was not reached, a third reviewer was consulted. Original research articles that examined TEE, energy intake, and/or body composition in 18-40-year-old endurance athletes and reported the seasonal training phases of data assessment were included in the review. Articles were excluded if body composition was assessed by skinfold measurements, TEE was assessed by questionnaires, or data could not be split between the sexes. Two reviewers assessed the quality of studies independently. Data on subject characteristics, TEE, energy intake, and/or body composition were extracted from the included studies. Subjects were categorized according to their sex and endurance discipline and each study allocated a weight within categories based on the number of subjects assessed. Extracted data were used to calculate weighted means and standard deviations for parameters of TEE, energy intake, and/or body composition. From 3589 citations, 321 articles were identified as potentially relevant, with 82 meeting all of the inclusion criteria. TEE of endurance athletes was

Analytic properties of the relativistic Thomas-Fermi equation and the total energy of atomic ions

International Nuclear Information System (INIS)

March, N.H.; Senatore, G.

1985-06-01

The analytic properties of solutions of the relativistic Thomas-Fermi equation which tend to zero at infinity are first examined, the neutral atom solution being a member of this class. A new length is shown to enter the theory, proportional to the square root of the fine structure constant. This information is used to develop a perturbation expansion around the neutral atom solution, corresponding to positive atomic ions with finite but large radii. The limiting law relating ionic radius to the degree of ionization is thereby displayed in functional form, and solved explicitly to lowest order in the fine structure constant. To embrace this knowledge of heavy positive ions, as well as results from the one-electron Dirac equation, a proposal is then advanced as to the analytic form of the relativistic total energy E(Z,N) of an atomic ion with nuclear charge Ze and total number of electrons N. The fact that, for N>1, the nucleus is known only to bind Z+n electrons, where n is 1 or 2, indicates non-analyticity in the complex Z plane, represented by a circle of radius Z approx.= N. Such non-analyticity is also a property of the non-relativistic energy derived from the many-electron Schroedinger equation. The relativistic theory, however, must also embody a second type of non-analyticity associated with the known property for N=1 that the Dirac equation predicts electron-positron pair production when the electronic binding energy becomes equal to twice the electron rest mass energy. This corresponds to a second circle of non-analyticity in E(Z,N), and hence to a Taylor-Laurent expansion of this quantity in the atomic number Z. The relation of this expansion to the Layzer-Bahcall series is finally discussed. (author)

First measurement of the total proton-proton cross section at the LHC energy of √s =7 TeV

CERN Document Server

Antchev, G.; Atanassov, I.; Avati, V.; Baechler, J.; Berardi, V.; Berretti, M.; Bossini, E.; Bozzo, M.; Brogi, P.; Brücken, E.; Buzzo, A.; Cafagna, F.; Calicchio, M.; Catanesi, M.G.; Covault, C.; Csörgõ, T.; Deile, M.; Eggert, K.; Eremin, V.; Ferretti, R.; Ferro, F.; Fiergolski, A.; Garcia, F.; Giani, S.; Greco, V.; Grzanka, L.; Heino, J.; Hilden, T.; Intonti, M.R.; Kaspar, J.; Kopal, J.; Kundrát, V.; Kurvinen, K.; Lami, S.; Latino, G.; Lauhakangas, R.; Leszko, T.; Lippmaa, E.; Lokajícek, M.; Lo Vetere, M.; Lucas Rodríguez, F.; Macrí, M.; Magaletti, L.; Mercadante, A.; Minutoli, S.; Nemes, F.; Niewiadomski, H.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Österberg, K.; Palazzi, P.; Procházka, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Saarikko, H.; Sanguinetti, G.; Santroni, A.; Scribano, A.; Snoeys, W.; Sziklai, J.; Taylor, C.; Turini, N.; Vacek, V.; Vítek, M.; Welti, J.; Whitmore, J.

2011-01-01

TOTEM has measured the differential cross-section for elastic proton-proton scattering at the LHC energy of √s = 7TeV analyzing data from a short run with dedicated large Beta∗ optics. A single exponential fit with B = 20.1GeV**−2 (all errors are given in the text) describes the lowest range of the squared four-momentum transfer |t| from 0.02 to 0.3GeV**2. After the extrapolation to |t| = 0, a total elastic scattering cross-section of 24.8mb was obtained. Applying the Optical Theorem and using the luminosity measurement from CMS, a total proton-proton cross-section of 98.3mb was deduced which is in good agreement with the expectation from the overall fit of previously measured data over a large range of energies. From the total and elastic pp cross-section measurements, an inelastic pp cross-section of (73:5{\\pm}0:6stat +1:8 -1:3 syst) mb was inferred. PACS 13.60.Hb: Total and inclusive cross sections

Effect of feeding level on ileal and total tract digestibility of nutrients and energy from soybean meal-based diets for piglets.

Science.gov (United States)

Goerke, M; Mosenthin, R; Jezierny, D; Sauer, N; Piepho, H-P; Messerschmidt, U; Eklund, M

2014-12-01

A total of 36 piglets with an initial body weight (BW) of 5.6 ± 0.7 kg, fitted with simple T-cannulas at the distal ileum, were used to evaluate the effect of three graded feeding levels (50, 75 or 100 g/kg BW(0.75) day) on apparent ileal digestibility (AID) and total tract digestibility (ATTD) of dry matter (DM), nitrogen (N) and energy, and on ATTD of organic matter (OM), ether extracts (EE), neutral detergent fibre (NDF), acid detergent fibre (ADF) and digestible (DE), metabolisable (ME) and net energy (NE) content in soybean meal (SBM)-casein-cornstarch-based diets. The AID of DM, N and energy and ATTD of NDF, ADF and EE in the diets were not affected (p > 0.05) by the feed intake (FI) level. There was a small decrease in ATTD of DM, N (CP), OM, ash and energy, and in DE, ME and NE content in the diets (p digestibility values, and for estimating urinary endogenous N loss. High variability in estimates of ileal endogenous N loss and total tract endogenous losses of N, EE and ash reflects great variation in individual endogenous losses between animals. Estimation of true total tract digestibility of N, EE and ash by regression analysis was affected by their decrease in ATTD with increasing FI level, as estimates for true digestibility were lower compared to their apparent values. The present results suggest that FI level can affect both apparent and true total tract nutrient digestibility in piglets. Journal of Animal Physiology and Animal Nutrition © 2014 Blackwell Verlag GmbH.

Reaction and total cross sections for low energy π+ and π- on isospin zero nuclei

International Nuclear Information System (INIS)

Saunders, A.; Ho/ibraten, S.; Kraushaar, J.J.; Kriss, B.J.; Peterson, R.J.; Ristinen, R.A.; Brack, J.T.; Hofman, G.; Gibson, E.F.; Morris, C.L.

1996-01-01

Reaction and total cross sections for π + and π - on targets of 2 H, 6 Li, C, Al, Si, S, and Ca have been measured for beam energies from 42 to 65 MeV. The cross sections are proportional to the target mass at 50 MeV, consistent with transparency to these projectiles. The cross sections are compared to theoretical calculations. copyright 1996 The American Physical Society

Total scattering investigation of materials for clean energy applications: the importance of the local structure.

Science.gov (United States)

Malavasi, Lorenzo

2011-04-21

In this Perspective article we give an account of the application of total scattering methods and pair distribution function (PDF) analysis to the investigation of materials for clean energy applications such as materials for solid oxide fuel cells and lithium batteries, in order to show the power of this technique in providing new insights into the structure-property correlation in this class of materials.

Commercial applications of solar total energy systems. Third quarterly progress report, November 1, 1976--January 31, 1977

Energy Technology Data Exchange (ETDEWEB)

1977-09-01

The application of Solar Total Energy System (STES) to the commercial sector (e.g., office buildings, shopping centers, retail stores, etc.) in the United States is investigated. Candidate solar-thermal and solar-photovoltaic concepts are considered for providing on-site electrical power generation as well as thermal energy for both heating and cooling applications. The solar-thermal concepts include the use of solar concentrators (distributed or central-receiver) for collection of the thermal energy for conversion to electricity by means of a Rankine-cycle or Brayton-cycle power-conversion system. Recoverable waste heat from the power-generation process is utilized to help meet the building thermal-energy demand. Evaluation methodology is identified to allow ranking and/or selection of the most cost-effective concept for commercial-building applications.

Measurement of the elastic, total and diffraction cross sections at tevatron energies

International Nuclear Information System (INIS)

Belforte, S.

1993-11-01

The CDF collaboration has measured the differential elastic cross section dσ el /dt, the single diffraction dissociation double differential cross section d 2 σ sd /dM 2 dt and the total inelastic cross section for antiproton-proton collisions at center of mass energies √s = 546 and 1,800 GeV. Data for this measurement have been collected in short dedicated runs during the 1988--1989 data taking period of CDF. The elastic scattering slope is 15.28 ± 0.58 (16.98 ± 0.25) GeV -2 at √s = 546 (1,800) GeV. Using the luminosity independent method (1 + ρ 2 )σ T is measured to be 62.64 ± 0.95 (81.83 ± 2.29) mb at √s = 546 (1,800) GeV. Assuming ρ = 0.15 the elastic, total and single diffraction cross sections are σ el = 12.87 ± 0.30, σ T = 61.26 ± 0.93 and σ sd = 7.89 ± 0.33 mb (σ el = 19.70 ± 0.85, σ T = 80.03 ± 2.24 and σ sd = 9.46 ± 0.44 mb) at √s = 546 (1,800) GeV

Analysis of regional total factor energy efficiency in China under environmental constraints: based on undesirable-minds and DEA window model

Science.gov (United States)

Zhang, Shuying; Li, Deshan; Li, Shuangqiang; Jiang, Hanyu; Shen, Yuqing

2017-06-01

With China’s entrance into the new economy, the improvement of energy efficiency has become an important indicator to measure the quality of ecological civilization construction and economic development. According to the panel data of Chinese regions in 1996-2014, the nearest distance to the efficient frontier of Undesirable-MinDS Xeon model and DEA window model have been used to calculate the total factor energy efficiency of China’s regions. Study found that: Under environmental constraints, China’s total factor energy efficiency has increased after the first drop in the overall 1996-2014, and then increases again. And the difference between the regions is very large, showing a characteristic of “the east is the highest, the west is lower, and lowest is in the central” finally, this paper puts forward relevant policy suggestions.

An energy harvesting converter to power sensorized total human knee prosthesis

International Nuclear Information System (INIS)

Luciano, V; Sardini, E; Serpelloni, M; Baronio, G

2014-01-01

Monitoring the internal loads acting in a total knee prosthesis (TKP) is fundamental aspect to improve their design. One of the main benefits of this improvement is the longer duration of the tibial inserts. In this work, an electromagnetic energy harvesting system, which is implantable in a TKP, is presented. This is conceived for powering a future implantable system that is able to monitor the loads (and, possibly, other parameters) that could influence the working conditions of a TKP in real-time. The energy harvesting system (EHS) is composed of two series of NdFeB magnets, positioned into each condyle, and a coil that is placed in a pin of the tibial insert and connected to an implantable power management circuit. The magnetic flux variation and the induced voltage are generated by the knee's motion. A TKP prototype has been realized in order to reproduce the knee mechanics and to test the EHS performance. In the present work, the experimental results are obtained by adopting a resistive load of 2.2 kΩ, in order to simulate a real implanted autonomous system with a current consumption of 850 µA and voltage of 2 V. The tests showed that, after 7 to 30 s of walking with a gait cycle frequency of about 1.0 Hz, the EHS can generate an energy of about 70 μJ, guaranteeing a voltage between 2 and 1.4 V every 7.6 s. With this prototype we can verify that it is possible to power for 16 ms a circuit having a power consumption of 1.7 mW every 7.6 s. The proposed generator is a viable solution to power an implanted electronic system that is conceived for measuring and transmitting the TKP load parameters. (paper)

Design considerations of a total energy power system for a rural health centre in Nigeria

Energy Technology Data Exchange (ETDEWEB)

Chendo, M A.C. [Lagos Univ. (NG). Dept. of Physics; Salawu, R I [Lagos Univ. (NG). Dept. of Electrical Engineering

1989-01-01

A conceptual total energy (hybrid) system design considerations are presented for a Rural Health Centre in a remote village in Nigeria. The design uses a spectrally selective beam splitting technique. The system provides both electrical and thermal energy with electrical needs of the centre being provided by the photoquantum convertor while the hot water and sterilization requirements are met by the spectrally selective heat transfer liquid in the thermally decoupled loop. A critical analysis of the electrical and thermal energy requirements of the health centre including its laboratories, water supply, refrigeration, lighting, etc. and its technoeconomic aspects is also discussed. With appropriate sizing of panels, storage, choice of the spectrally selective heat transfer liquid and other accessories, the PV/PT system using moderately concentrated sunlight is attractive for such application in areas with no national grid lines and normally considered uneconomical for electrification by the extension of the national grid or by the provision of generators which require constant supply of fuel and servicing. (author).

Features of the core-valence luminescence and electron energy band structure of A1-xCsxCaCl3 (A = K,Rb) crystals

International Nuclear Information System (INIS)

Chornodolskyy, Ya; Stryganyuk, G; Syrotyuk, S; Voloshinovskii, A; Rodnyi, P

2007-01-01

From luminescence spectroscopy of CsCaCl 3 , Rb 1-x Cs x CaCl 3 and K 1-x Cs x CaCl 3 crystals, we have found evidence for intrinsic and impurity core-valence luminescence due to the radiative recombination of valence electrons with the holes of intrinsic or impurity 5p Cs + core states. The structural similarity of core-valence luminescence spectra has been revealed for the A 1-x Cs x CaCl 3 (A = K,Rb) crystals investigated. The electron energy structure of the CsCaCl 3 crystal has been calculated using the pseudopotential approach taking into account the gradient corrections for the exchange-correlation energy. The calculated density of the electronic states of CsCaCl 3 has been compared with corresponding parameters obtained from the analysis of core-valence luminescence spectra

Total binding energy of heavy positive ions including density treatment of Darwin and Breit corrections

International Nuclear Information System (INIS)

Hill, S.H.; Grout, P.J.; March, N.H.

1987-01-01

Previous work on the relativistic Thomas-Fermi treatment of total energies of neutral atoms is first generalised to heavy positive ions. To facilitate quantitative contact with the numerical predictions of Dirac-Fock theory, Darwin and Breit corrections are expressed in terms of electron density, and computed using input again from relativistic Thomas-Fermi theory. These corrections significantly improve the agreement between the two seemingly very different theories. (author)

Achievement report on research and development in the Sunshine Project in fiscal 1977. Studies on hydrogen energy total systems and the safety assuring technologies thereon (Studies on hydrogen energy total systems); 1977 nendo suiso energy total system to sono hoan gijutsu ni kansuru kenkyu seika hokokusho. Suiso energy total system no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1978-03-01

A numerical model was prepared to express fields and size of hydrogen energy introduction in Japan's energy systems in the future. Dividing Japan into 13 weather sections, one to two energy bases (import and secondary production bases in coastal areas) were assumed on each section. Secondary energies produced in these energy bases are transported to intermediate bases, from which the energies are distributed into cities and consumed. For the purpose of simplification, final consumption departments are hypothesized to exist in these intermediate bases. Parameters that characterize the flows on networks in the processes of supply, distribution, production, storage, transportation and utilization are divided largely into energy efficiency and cost of the processes. The amount of energy demand in each final consumption department was defined as an amount to maximize the expected effects as a result of having satisfied the demand. The result of trial calculations revealed that, as long as the hydrogen to be introduced is limited to hydrogen produced via electrolysis using thermally generated power, the hydrogen introduction into the future energy systems is difficult in terms of economic performance. (NEDO)

Simultaneous measurement of milk intake and total energy expenditure in mixed-fed infants: Methodological approach and prediction of total body water

International Nuclear Information System (INIS)

Wells, J.C.K.; Davies, P.S.W.; Coward, W.A.

2000-01-01

Evaluation of the energy metabolism that underlies the new WHO breast-fed growth reference requires simultaneous measurements of milk volume intake (MVI) and total energy expenditure (TEE) by stable isotope methodologies. In young infants, such data is collected without difficulty using the dose-to-the-infant method. In older infants, where breast-milk is supplemented with non-milk foods, MVI must be measured by dosing the mother instead of the infant. This procedure would interfere with a simple measurement of infant TEE using the standard dose-to-the-infant method. Theoretically, this difficulty can be resolved by dosing the mother with deuterium and the infant with 18-oxygen, and using curve-peeling methods to calculate the infant deuterium kinetics. We propose to ascertain whether such an approach is viable in practice, such that MVI, TEE and body composition could all be measured simultaneously in mixed-fed infants. Where MVI in older infants is measured on its own, there is a need to predict infant body water in order to estimate the deuterium dilution space. Using a database of 234 infants aged 1.5 to 12 months, we provide new predictive equations by which such values may be obtained. (author)

Total energy and potential enstrophy conserving schemes for the shallow water equations using Hamiltonian methods - Part 1: Derivation and properties

Science.gov (United States)

Eldred, Christopher; Randall, David

2017-02-01

The shallow water equations provide a useful analogue of the fully compressible Euler equations since they have similar characteristics: conservation laws, inertia-gravity and Rossby waves, and a (quasi-) balanced state. In order to obtain realistic simulation results, it is desirable that numerical models have discrete analogues of these properties. Two prototypical examples of such schemes are the 1981 Arakawa and Lamb (AL81) C-grid total energy and potential enstrophy conserving scheme, and the 2007 Salmon (S07) Z-grid total energy and potential enstrophy conserving scheme. Unfortunately, the AL81 scheme is restricted to logically square, orthogonal grids, and the S07 scheme is restricted to uniform square grids. The current work extends the AL81 scheme to arbitrary non-orthogonal polygonal grids and the S07 scheme to arbitrary orthogonal spherical polygonal grids in a manner that allows for both total energy and potential enstrophy conservation, by combining Hamiltonian methods (work done by Salmon, Gassmann, Dubos, and others) and discrete exterior calculus (Thuburn, Cotter, Dubos, Ringler, Skamarock, Klemp, and others). Detailed results of the schemes applied to standard test cases are deferred to part 2 of this series of papers.

Total-energy global optimizations using nonorthogonal localized orbitals

International Nuclear Information System (INIS)

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

1995-01-01

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

Determining the primary cosmic ray energy from the total flux of Cherenkov light measured at the Yakutsk EAS array

International Nuclear Information System (INIS)

Ivanov, A. A.; Knurenko, S. P.; Sleptsov, I. E.

2007-01-01

We present a method for determining the energy of the primary particle that generates an extensive air shower (EAS) of comic rays based on measuring the total flux of Cherenkov light from the shower. Applying this method to Cherenkov light measurements at the Yakutsk EAS array has allowed us to construct the cosmic ray energy spectrum in the range 10 15 - 3 x 10 19 eV

Studies on fission with ALADIN. Precise and simultaneous measurement of fission yields, total kinetic energy and total prompt neutron multiplicity at GSI

International Nuclear Information System (INIS)

Martin, Julie-Fiona; Taieb, Julien; Chatillon, Audrey; Belier, Gilbert; Boutoux, Guillaume; Ebran, Adeline; Gorbinet, Thomas; Grente, Lucie; Laurent, Benoit; Pellereau, Eric; Alvarez-Pol, Hector; Ayyad, Yassid; Benlliure, Jose; Cortina Gil, Dolores; Caamano, Manuel; Fernandez Dominguez, Beatriz; Paradela, Carlos; Ramos, Diego; Rodriguez-Sanchez, Jose-Luis; Vargas, Jossitt; Audouin, Laurent; Tassan-Got, Laurent; Aumann, Thomas; Casarejos, Enrique; Farget, Fanny; Rodriguez-Tajes, Carme; Heinz, Andreas; Jurado, Beatriz; Kelic-Heil, Aleksandra; Kurz, Nikolaus; Nociforo, Chiara; Pietri, Stephane; Rossi, Dominic; Schmidt, Karl-Heinz; Simon, Haik; Voss, Bernd; Weick, Helmut

2015-01-01

A novel technique for fission studies, based on the inverse kinematics approach, is presented. Following pioneering work in the nineties, the SOFIA Collaboration has designed and built an experimental set-up dedicated to the simultaneous measurement of isotopic yields, total kinetic energies and total prompt neutron multiplicities, by fully identifying both fission fragments in coincidence, for the very first time. This experiment, performed at GSI, permits to study the fission of a wide variety of fissioning systems, ranging from mercury to neptunium, possibly far from the valley of stability. A first experiment, performed in 2012, has provided a large array of unprecedented data regarding the nuclear fission process. An excerpt of the results is presented. With this solid starter, further improvements of the experimental set-up are considered, which are consistent with the expected developments at the GSI facility, in order to measure more fission observables in coincidence. The completeness reached in the SOFIA data, permits to scrutinize the correlations between the interesting features of fission, offering a very detailed insight in this still unraveled mechanism. (orig.)

Studies on fission with ALADIN. Precise and simultaneous measurement of fission yields, total kinetic energy and total prompt neutron multiplicity at GSI

Energy Technology Data Exchange (ETDEWEB)

Martin, Julie-Fiona; Taieb, Julien; Chatillon, Audrey; Belier, Gilbert; Boutoux, Guillaume; Ebran, Adeline; Gorbinet, Thomas; Grente, Lucie; Laurent, Benoit; Pellereau, Eric [CEA DAM Bruyeres-le-Chatel, Arpajon (France); Alvarez-Pol, Hector; Ayyad, Yassid; Benlliure, Jose; Cortina Gil, Dolores; Caamano, Manuel; Fernandez Dominguez, Beatriz; Paradela, Carlos; Ramos, Diego; Rodriguez-Sanchez, Jose-Luis; Vargas, Jossitt [Universidad de Santiago de Compostela, Santiago de Compostela (Spain); Audouin, Laurent; Tassan-Got, Laurent [CNRS/IN2P3, IPNO, Orsay (France); Aumann, Thomas [Technische Universitaet Darmstadt, Darmstadt (Germany); Casarejos, Enrique [Universidad de Vigo, Vigo (Spain); Farget, Fanny; Rodriguez-Tajes, Carme [CNRS/IN2P3, GANIL, Caen (France); Heinz, Andreas [Chalmers University of Technology, Gothenburg (Sweden); Jurado, Beatriz [CNRS/IN2P3, CENBG, Gradignan (France); Kelic-Heil, Aleksandra; Kurz, Nikolaus; Nociforo, Chiara; Pietri, Stephane; Rossi, Dominic; Schmidt, Karl-Heinz; Simon, Haik; Voss, Bernd; Weick, Helmut [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany)

2015-12-15

A novel technique for fission studies, based on the inverse kinematics approach, is presented. Following pioneering work in the nineties, the SOFIA Collaboration has designed and built an experimental set-up dedicated to the simultaneous measurement of isotopic yields, total kinetic energies and total prompt neutron multiplicities, by fully identifying both fission fragments in coincidence, for the very first time. This experiment, performed at GSI, permits to study the fission of a wide variety of fissioning systems, ranging from mercury to neptunium, possibly far from the valley of stability. A first experiment, performed in 2012, has provided a large array of unprecedented data regarding the nuclear fission process. An excerpt of the results is presented. With this solid starter, further improvements of the experimental set-up are considered, which are consistent with the expected developments at the GSI facility, in order to measure more fission observables in coincidence. The completeness reached in the SOFIA data, permits to scrutinize the correlations between the interesting features of fission, offering a very detailed insight in this still unraveled mechanism. (orig.)

Food Sources of Total Energy and Nutrients among U.S. Infants and Toddlers: National Health and Nutrition Examination Survey 2005-2012.

Science.gov (United States)

Grimes, Carley A; Szymlek-Gay, Ewa A; Campbell, Karen J; Nicklas, Theresa A

2015-08-14

Understanding the dietary intakes of infants and toddlers is important because early life nutrition influences future health outcomes. The aim of this study was to determine the dietary sources of total energy and 16 nutrients in a nationally representative sample of U.S. infants and toddlers aged 0-24 months. Data from the 2005-2012 National Health and Nutrition Examination Survey were analyzed. Dietary intake was assessed in 2740 subjects using one 24-h dietary recall. The population proportion was used to determine the contribution of foods and beverages to nutrient intakes. Overall infant formulas and baby foods were the leading sources of total energy and nutrients in infants aged 0-11.9 months. In toddlers, the diversity of food groups contributing to nutrient intakes was much greater. Important sources of total energy included milk, 100% juice and grain based mixed dishes. A number of foods of low nutritional quality also contributed to energy intakes including sweet bakery products, sugar-sweetened beverages and savory snacks. Overall non-flavored milks and ready-to-eat cereals were the most important contributors to micronutrient intakes. In conclusion this information can be used to guide parents regarding appropriate food selection as well as inform targeted dietary strategies within public health initiatives to improve the diets of infants and toddlers.

Electronic structure and magnetism of Mn-doped GaSb for spintronic applications: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Seña, N.; Dussan, A. [Departamento de Física, Grupo de Materiales Nanoestructurados y sus Aplicaciones, Universidad Nacional de Colombia, Bogotá (Colombia); Mesa, F. [Facultad de Ciencias Naturales y Matemáticas, Grupo NanoTech, Universidad del Rosario, Bogotá (Colombia); Castaño, E.; González-Hernández, R., E-mail: rhernandezj@uninorte.edu.co [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia)

2016-08-07

We have carried out first-principles spin polarized calculations to obtain comprehensive information regarding the structural, magnetic, and electronic properties of the Mn-doped GaSb compound with dopant concentrations: x = 0.062, 0.083, 0.125, 0.25, and 0.50. The plane-wave pseudopotential method was used in order to calculate total energies and electronic structures. It was found that the Mn{sub Ga} substitution is the most stable configuration with a formation energy of ∼1.60 eV/Mn-atom. The calculated density of states shows that the half-metallic ferromagnetism is energetically stable for all dopant concentrations with a total magnetization of about 4.0 μ{sub B}/Mn-atom. The results indicate that the magnetic ground state originates from the strong hybridization between Mn-d and Sb-p states, which agree with previous studies on Mn-doped wide gap semiconductors. This study gives new clues to the fabrication of diluted magnetic semiconductors.

Solar total energy: large scale experiment, Shenandoah, Georgia Site. Annual report, June 1978-June 1979

Energy Technology Data Exchange (ETDEWEB)

Ney, E.J.

1979-07-01

A background summary and a complete description of the progress and current status of activities relative to the Cooperative Agreement for the Solar Total Energy - Large Scale Experiment at the Bleyle Knitwear Plant at Shenandoah, Georgia are presented. A statement of objectives and an abstract of progress to date are included. This is followed by a short introduction containing a project overview, a summary of the participants and their respective roles, a brief description of the Solar Total Energy System (STES) design concept, and a chronological summary of progress to date. A general description of the site is given, a detailed report of progress is reported, and drawings and equipment lists are included. The closed-loop solar energy system planned for Shenandoah begins with circulation of Syltherm 800, a heat transfer fluid of the Dow-Corning Corporation, through the receiver tubes of a parabolic dish solar collector field. As solar energy is focused on the receivers, the heat transfer fluid is heated to approximately 399/sup 0/C (750/sup 0/F) and is pumped to a heat exchanger for immediate use, or to a thermal storage system for later use. Once in the heat exchanger, the fluid heats a working fluid that produces the steam required for operating the turbine. After performing this task, the heat transfer fluid returns to the collectors to repeat the cycle, while the steam turbine-generator system supplies the electrical demands for the knitwear plant and the STES. During STES operation, maximum thermal and electrical requirements of the application are expected to be at 1.08 MWth and 161 kWe, respectively. During the power generation phase, some of the steam is extracted for use as process steam in the knitwear manufacturing process, while exhaust steam from the turbine is passed through a condenser to produce hot water for heating, domestic use, and absorption air conditioning. (WHK)

Natural gas reserves/total energy consumption: a useful new ratio for addressing global climate change concerns

International Nuclear Information System (INIS)

Siddiqi, T.A.

2002-01-01

Energy analysts have used the reserves/production ratios for oil and natural gas for decades as indicators of the ability of countries to maintain or increase their production of those fuels. The global community is now faced with the challenge of reducing carbon dioxide emissions from a variety of sources, with the energy sector being the largest contributor to the anthropogenic emissions of greenhouse gases. Natural gas has emerged as a highly desirable fuel, since it produces lower emissions of carbon dioxide than coal or oil for equivalent amounts of energy supplied. The ratio of a country's proven natural gas reserves to its total energy consumption is a good indicator of its ability to improve its air quality situation or address greenhouse gas reduction targets from domestic natural gas sources. This paper provides the ratio for several countries at different stages of development, and discusses some of the implications. In countries where exploration for natural gas has been limited, the estimated resources in place may sometimes be a more useful indicator than proven reserves, and could be used instead. (author)

Transition-metal interactions in aluminum-rich intermetallics

International Nuclear Information System (INIS)

Al-Lehyani, Ibrahim; Widom, Mike; Wang, Yang; Moghadam, Nassrin; Stocks, G. Malcolm; Moriarty, John A.

2001-01-01

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal overbinding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 Aa. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab initio total-energy calculations using the Vienna ab initio simulation package for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r 0 /r) b to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions

From a single encapsulated detector to the spectrometer for INTEGRAL satellite: predicting the peak-to-total ratio at high γ-energies

International Nuclear Information System (INIS)

Kshetri, R

2012-01-01

In two recent papers (R. Kshetri, JINST 2012 7 P04008; ibid., P07006), a probabilistic formalism was introduced to predict the response of encapsulated type composite germanium detectors like the SPI (spectrometer for INTEGRAL satellite). Predictions for the peak-to-total and peak-to-background ratios are given at 1.3 MeV for the addback mode of operation. The application of the formalism to clover germanium detector is discussed in two separate papers (R. Kshetri, JINST 2012 7 P07008; ibid., P08015). Using the basic approach developed in those papers, for the first time we present a procedure for calculating the peak-to-total ratio of the cluster detector for γ-energies up to 8 MeV. Results are shown for both bare and suppressed detectors as well as for the single crystal and addback modes of operation. We have considered the experimental data of (i) peak-to-total ratio at 1.3 MeV, and (ii) single detector efficiency and addback factor for other energies up to 8 MeV. Using this data, an approximate method of calculating the peak-to-total ratio of other composite detectors, is shown. Experimental validation of our approach (for energies up to 8 MeV) has been confirmed considering the data of the SPI spectrometer. We have discussed about comparisons between various modes of operation and suppression cases. The present paper is the fifth in the series of papers on composite germanium detectors and for the first time discusses about the change in fold distribution and peak-to-total ratio for sophisticated detectors consisting of several modules of miniball, cluster and SPI detectors. Our work could provide a guidance in designing new composite detectors and in performing experimental studies with the existing detectors for high energy gamma-rays.

From a single encapsulated detector to the spectrometer for INTEGRAL satellite: predicting the peak-to-total ratio at high γ-energies

Science.gov (United States)

Kshetri, R.

2012-12-01

In two recent papers (R. Kshetri, JINST 2012 7 P04008; ibid., P07006), a probabilistic formalism was introduced to predict the response of encapsulated type composite germanium detectors like the SPI (spectrometer for INTEGRAL satellite). Predictions for the peak-to-total and peak-to-background ratios are given at 1.3 MeV for the addback mode of operation. The application of the formalism to clover germanium detector is discussed in two separate papers (R. Kshetri, JINST 2012 7 P07008; ibid., P08015). Using the basic approach developed in those papers, for the first time we present a procedure for calculating the peak-to-total ratio of the cluster detector for γ-energies up to 8 MeV. Results are shown for both bare and suppressed detectors as well as for the single crystal and addback modes of operation. We have considered the experimental data of (i) peak-to-total ratio at 1.3 MeV, and (ii) single detector efficiency and addback factor for other energies up to 8 MeV. Using this data, an approximate method of calculating the peak-to-total ratio of other composite detectors, is shown. Experimental validation of our approach (for energies up to 8 MeV) has been confirmed considering the data of the SPI spectrometer. We have discussed about comparisons between various modes of operation and suppression cases. The present paper is the fifth in the series of papers on composite germanium detectors and for the first time discusses about the change in fold distribution and peak-to-total ratio for sophisticated detectors consisting of several modules of miniball, cluster and SPI detectors. Our work could provide a guidance in designing new composite detectors and in performing experimental studies with the existing detectors for high energy gamma-rays.

Comparison of resting energy equations and total energy expenditure in haemodialysis patients and body composition measured by multi-frequency bioimpedance.

Science.gov (United States)

Oliveira, Ben; Sridharan, Sivakumar; Farrington, Ken; Davenport, Andrew

2017-07-13

Waste products of metabolism are retained in haemodialysis (HD) patients. Cellular metabolism generates energy, and patients with greater energy expenditure may therefore require more dialysis. To determine the amount of dialysis required, equations estimating resting and total energy expenditure (REE,TEE) are required. We compared estimates of REE in HD patients using established equations with a novel equation recently validated in HD patients (HD equation). TEE was derived from REE (HD equation) and estimates of physical activity obtained by questionnaire. REE and TEE relationships with bioimpedance measured body composition were then determined. We studied 317 HD patients; 195 males (61.5%), 123 diabetic (38.9%), mean age 65.0 ± 15.3 and weight 73.1 ± 16.8 kg. REE from HD Equation was 1509 ± 241 kcal/day, which was greater than for Mifflin St Joer 1384 ± 259, Harris-Benedict 1437 ± 244, Katch-McArdle 1345 ± 232 (all p employment (β 406.5, p appearance (β 2.7, p = 0.015), and negatively with age (β -7.9, p appearance, lower co-morbidity, age, and dialysis vintage, and the employed. More metabolically active patients may require greater dialytic clearances. This article is protected by copyright. All rights reserved.

Basic semiconductor physics

CERN Document Server

Hamaguchi, Chihiro

2017-01-01

This book presents a detailed description of basic semiconductor physics. The text covers a wide range of important phenomena in semiconductors, from the simple to the advanced. Four different methods of energy band calculations in the full band region are explained: local empirical pseudopotential, non-local pseudopotential, KP perturbation and tight-binding methods. The effective mass approximation and electron motion in a periodic potential, Boltzmann transport equation and deformation potentials used for analysis of transport properties are discussed. Further, the book examines experiments and theoretical analyses of cyclotron resonance in detail. Optical and transport properties, magneto-transport, two-dimensional electron gas transport (HEMT and MOSFET) and quantum transport are reviewed, while optical transition, electron-phonon interaction and electron mobility are also addressed. Energy and electronic structure of a quantum dot (artificial atom) are explained with the help of Slater determinants. The...

Total energy cycle assessment of electric and conventional vehicles: an energy and environmental analysis. Volume 1: technical report

Energy Technology Data Exchange (ETDEWEB)

Cuenca, R.; Formento, J.; Gaines, L.; Marr, B.; Santini, D.; Wang, M. [Argonne National Lab., IL (United States); Adelman, S.; Kline, D.; Mark, J.; Ohi, J.; Rau, N. [National Renewable Energy Lab., Golden, CO (United States); Freeman, S.; Humphreys, K.; Placet, M. [Pacific Northwest National Lab., Richland, WA (United States)

1998-01-01

This report compares the energy use, oil use and emissions of electric vehicles (EVs) with those of conventional, gasoline-powered vehicles (CVs) over the total life cycle of the vehicles. The various stages included in the vehicles` life cycles include vehicle manufacture, fuel production, and vehicle operation. Disposal is not included. An inventory of the air emissions associated with each stage of the life cycle is estimated. Water pollutants and solid wastes are reported for individual processes, but no comprehensive inventory is developed. Volume I contains the major results, a discussion of the conceptual framework of the study, and summaries of the vehicle, utility, fuel production, and manufacturing analyses. It also contains summaries of comments provided by external peer reviewers and brief responses to these comments.

Total β-decay energies and masses of tin, antimony and tellurium isotopes in the vicinity of 50132Sn82

International Nuclear Information System (INIS)

Lund, E.; Aleklett, K.; Rudstam, G.

1977-01-01

Experimental β-decay energies for short-lived isotopes of tin, antimony and tellurium are presented. Mass-separated sources were produced at the on-line isotope separator OSIRIS. By applying β-γ coincidence methods, total β-decay energies have been determined for the following nuclides: 127-131 Sn, 128 130 131 134 Sb and 134 135 Te. The atomic mass excess has been derived for these nuclei, and comparisons are made with mass formula predictions. (Auth.)

Research Area 3 - Mathematical Sciences: Multiscale Modeling of the Mechanics of Advanced Energetic Materials Relevant to Detonation Prediction

Science.gov (United States)

2015-08-24

for initiation. We have used first principle calculations (plane wave Density Functional Theory with projector augmented-wave (PAW) pseudopotentials...RDX -what are conformers?- • Estimation of energy barriers using the Nudged Elastic Band method. • Various conformations stabilized by the Grant

Mid-south solar total energy institutional analysis. Semi-annual technical progress report, December 1978-May 1979

Energy Technology Data Exchange (ETDEWEB)

Powe, R.E.; Carley, C.T.; Forbes, R.E.; Johnson, L.R.

1979-07-31

During this reporting period a variety of individual components likely to be employed in total energy systems at Mississippi State University have been considered in detail. Also, algorithms have been developed for the approximate prediction of building heating and cooling loads based on gross parameters such as floor area, type of wall construction, etc. A comprehensive survey was undertaken to determine the current usage of energy by the university and correlation equations were used to project consumption rates for the next few years. The development of an algorithm for heating and cooling load calculations is described. Design and specifications are given for a solar-assisted space heating system, a solar air conditioning system, and a 1-MWe solar thermal power plant for the university. Flat-plate collectors for space heating or water heating at the MSU campus are assessed. Also the possibility of exploiting low-grade geothermal energy near MSU using heat pumps for space heating is discussed.

Investigation into the acute effects of total and partial energy restriction on postprandial metabolism among overweight/obese participants.

Science.gov (United States)

Antoni, Rona; Johnston, Kelly L; Collins, Adam L; Robertson, M Denise

2016-03-28

The intermittent energy restriction (IER) approach to weight loss involves short periods of substantial (75-100 %) energy restriction (ER) interspersed with normal eating. This study aimed to characterise the early metabolic response to these varying degrees of ER, which occurs acutely and prior to weight loss. Ten (three female) healthy, overweight/obese participants (36 (SEM 5) years; 29·0 (sem 1·1) kg/m2) took part in this acute three-way cross-over study. Participants completed three 1-d dietary interventions in a randomised order with a 1-week washout period: isoenergetic intake, partial 75 % ER and total 100 % ER. Fasting and postprandial (6-h) metabolic responses to a liquid test meal were assessed the following morning via serial blood sampling and indirect calorimetry. Food intake was also recorded for two subsequent days of ad libitum intake. Relative to the isoenergetic control, postprandial glucose responses were increased following total ER (+142 %; P=0·015) and to a lesser extent after partial ER (+76 %; P=0·051). There was also a delay in the glucose time to peak after total ER only (P=0·024). Both total and partial ER interventions produced comparable reductions in postprandial TAG responses (-75 and -59 %, respectively; both Pobese participants. Further investigations are required to establish how metabolism adapts over time to the repeated perturbations experienced during IER, as well as the implications for long-term health.

Fission Fragment Mass Distributions and Total Kinetic Energy Release of 235-Uranium and 238-Uranium in Neutron-Induced Fission at Intermediate and Fast Neutron Energies

Energy Technology Data Exchange (ETDEWEB)

Duke, Dana Lynn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-11-12

This Ph.D. dissertation describes a measurement of the change in mass distributions and average total kinetic energy (TKE) release with increasing incident neutron energy for fission of ²³⁵U and ²³⁸U. Although fission was discovered over seventy-five years ago, open questions remain about the physics of the fission process. The energy of the incident neutron, En, changes the division of energy release in the resulting fission fragments, however, the details of energy partitioning remain ambiguous because the nucleus is a many-body quantum system. Creating a full theoretical model is difficult and experimental data to validate existing models are lacking. Additional fission measurements will lead to higher-quality models of the fission process, therefore improving applications such as the development of next-generation nuclear reactors and defense. This work also paves the way for precision experiments such as the Time Projection Chamber (TPC) for fission cross section measurements and the Spectrometer for Ion Determination in Fission (SPIDER) for precision mass yields.

Systematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systems

International Nuclear Information System (INIS)

Izquierdo, J.; Vega, A.; Balbas, L. C.; Sanchez-Portal, Daniel; Junquera, Javier; Artacho, Emilio; Soler, Jose M.; Ordejon, Pablo

2000-01-01

We present a theoretical study of the electronic and magnetic properties of iron systems in different environments: pure iron systems [dimer, bcc bulk, (100) surface, and free-standing iron monolayer], and low-dimensional iron systems deposited on Ag (100) surface (monoatomic linear wires, iron monolayer, planar, and three-dimensional clusters). Electronic and magnetic properties have been calculated using a recently developed total-energy first-principles method based on density-functional theory with numerical atomic orbitals as a basis set for the description of valence electrons and nonlocal pseudopotentials for the atomic core. The Kohn-Sham equations are solved self-consistently within the generalized gradient approximation for the exchange-correlation potential. Tests on the pseudopotential, the basis set, grid spacing, and k sampling are carefully performed. This technique, which has been proved to be very efficient for large nonmagnetic systems, is applied in this paper to calculate electronic and magnetic properties of different iron nanostructures. The results compare well with previous ab initio all-electron calculations and with experimental data. The method predicts the correct trends in the magnetic moments of Fe systems for a great variety of environments and requires a smaller computational effort than other ab initio methods. (c) 2000 The American Physical Society

Systematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systems

Energy Technology Data Exchange (ETDEWEB)

Izquierdo, J. [Departamento de Fisica Teorica, Universidad de Valladolid, E-47011 Valladolid, (Spain); Vega, A. [Departamento de Fisica Teorica, Universidad de Valladolid, E-47011 Valladolid, (Spain); Balbas, L. C. [Departamento de Fisica Teorica, Universidad de Valladolid, E-47011 Valladolid, (Spain); Sanchez-Portal, Daniel [Department of Physics and Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States); Junquera, Javier [Departamento de Fisica de la Materia Condensada, C-III, and Institut Nicolas Cabrera, Universidad Autonoma de Madrid, 28049 Madrid, (Spain); Artacho, Emilio [Departamento de Fisica de la Materia Condensada, C-III, and Institut Nicolas Cabrera, Universidad Autonoma de Madrid, 28049 Madrid, (Spain); Soler, Jose M. [Department of Physics, Harvard University, Cambridge, Massachusetts 02138 (United States); Ordejon, Pablo [Institut de Ciencia de Materials de Barcelona (CSIC), Campus de la U.A.B., Bellaterra, E-08193 Barcelona, (Spain)

2000-05-15

We present a theoretical study of the electronic and magnetic properties of iron systems in different environments: pure iron systems [dimer, bcc bulk, (100) surface, and free-standing iron monolayer], and low-dimensional iron systems deposited on Ag (100) surface (monoatomic linear wires, iron monolayer, planar, and three-dimensional clusters). Electronic and magnetic properties have been calculated using a recently developed total-energy first-principles method based on density-functional theory with numerical atomic orbitals as a basis set for the description of valence electrons and nonlocal pseudopotentials for the atomic core. The Kohn-Sham equations are solved self-consistently within the generalized gradient approximation for the exchange-correlation potential. Tests on the pseudopotential, the basis set, grid spacing, and k sampling are carefully performed. This technique, which has been proved to be very efficient for large nonmagnetic systems, is applied in this paper to calculate electronic and magnetic properties of different iron nanostructures. The results compare well with previous ab initio all-electron calculations and with experimental data. The method predicts the correct trends in the magnetic moments of Fe systems for a great variety of environments and requires a smaller computational effort than other ab initio methods. (c) 2000 The American Physical Society.

Total electron scattering cross section from pyridine molecules in the energy range 10-1000 eV

Science.gov (United States)

Dubuis, A. Traoré; Costa, F.; da Silva, F. Ferreira; Limão-Vieira, P.; Oller, J. C.; Blanco, F.; García, G.

2018-05-01

We report on experimental total electron scattering cross-section (TCS) from pyridine (C5H5N) for incident electron energies between 10 and 1000 eV, with experimental uncertainties within 5-10%, as measured with a double electrostatic analyser apparatus. The experimental results are compared with our theoretical calculations performed within the independent atom model complemented with a screening corrected additivity rule (IAM-SCAR) procedure which has been updated by including interference effects. A good level of agreement is found between both data sources within the experimental uncertainties. The present TCS results for electron impact energy under study contribute, together with other scattering data available in the literature, to achieve a consistent set of cross section data for modelling purposes.

Beverage consumption habits "24/7" among British adults: association with total water intake and energy intake.

Science.gov (United States)

Gibson, Sigrid; Shirreffs, Susan M

2013-01-10

Various recommendations exist for total water intake (TWI), yet it is seldom reported in dietary surveys. Few studies have examined how real-life consumption patterns, including beverage type, variety and timing relate to TWI and energy intake (EI). We analysed weighed dietary records from the National Diet and Nutrition Survey of 1724 British adults aged 19-64 years (2000/2001) to investigate beverage consumption patterns over 24 hrs and 7 days and associations with TWI and EI. TWI was calculated from the nutrient composition of each item of food and drink and compared with reference values. Mean TWI was 2.53 L (SD 0.86) for men and 2.03 L (SD 0.71) for women, close to the European Food Safety Authority "adequate Intake" (AI) of 2.5 L and 2 L, respectively. However, for 33% of men and 23% of women TWI was below AI and TWI:EI ratio was Beverages accounted for 75% of TWI. Beverage variety was correlated with TWI (r 0.34) and more weakly with EI (r 0.16). Beverage consumption peaked at 0800 hrs (mainly hot beverages/ milk) and 2100 hrs (mainly alcohol). Total beverage consumption was higher at weekends, especially among men. Overall, beverages supplied 16% of EI (men 17%, women 14%), alcoholic drinks contributed 9% (men) and 5% (women), milk 5-6%, caloric soft drinks 2%, and fruit juice 1%.In multi-variable regression (adjusted for sex, age, body weight, smoking, dieting, activity level and mis-reporting), replacing 100 g of caloric beverages (milk, fruit juice, caloric soft drinks and alcohol) with 100 g non-caloric drinks (diet soft drinks, hot beverages and water) was associated with a reduction in EI of 15 kcal, or 34 kcal if food energy were unchanged. Using within-person data (deviations from 7-day mean) each 100 g change in caloric beverages was associated with 29 kcal change in EI or 35 kcal if food energy were constant. By comparison the calculated energy content of caloric drinks consumed was 47 kcal/100 g. TWI and beverage consumption are closely related

An application of a double bootstrap to investigate the effects of technological progress on total-factor energy consumption performance in China

International Nuclear Information System (INIS)

Li, Ke; Lin, Boqiang

2017-01-01

This paper proposes a total-factor energy consumption performance index (TEPI) for measuring China's energy efficiency across 30 provinces during the period 1997 to 2012. The TEPI is derived by solving an improved non-radial data envelopment analysis (DEA) model, which is based on an energy distance function. The production possibility set is constructed by combining the super-efficiency and sequential DEA models to avoid “discriminating power problem” and “technical regress”. In order to explore the impacts of technological progress on TEPI and perform statistical inferences on the results, a two-stage double bootstrap approach is adopted. The important findings are that China's energy technology innovation produces a negative effect on TEPI, while technology import and imitative innovation produce positive effects on TEPI. Thus, the main contribution of TEPI improvement is technology import. These conclusions imply that technology import especially foreign direct investment (FDI) is important for imitative innovation and can improve China's energy efficiency. In the long run, as the technical level of China approaches to the frontier, energy technology innovation and its wide adoption become a sustained way to improve energy efficiency. Therefore, it is urgent for China to introduce measures such as technology translation and spillover policies as well as energy pricing reforms to support energy technology innovation. - Highlights: • A total-factor energy consumption performance index (TEPI) is introduced. • Three types of technological progress have various effects on TEPI. • FDI is the main contributor of TEPI improvement. • An improved DEA calculation method is introduced. • A two-stage double-bootstrap non-radial DEA model is used.

High resolution measurements of the He-He total scattering cross section for reduced collision energies between 0.2 and 200

International Nuclear Information System (INIS)

Feltgen, R.; Koehler, K.A.; Pauly, H.; Torello, F.; Vehmeyer, H.

1974-01-01

The energy dependence of the total scattering cross section is measured for the isotopic systems He 4 -He 4 and He 3 -He 3 using a velocity selected He primary beam and a He target in a scattering chamber maintained at 1.57 deg K. In the low energy region both systems show a pronounced atomic Ramsauer-Townsend effect. At higher energies 13 backward glory extrema in the case of He 4 -He 4 and 10 extrema for He 3 -He 3 are observed. From these extrema the energy dependence of the s-phase shift can be derived. Applying the semiclassical inversion method proposed by Miller it is possible to compute the repulsive potential in the energy range of the measurement

Pseudo potentials and model potentials in atomic collisions

International Nuclear Information System (INIS)

Reyes, O.; Jouin, H.; Fuentealba, P.

1988-01-01

In this work, it is discussed the main differences between the use of pseudo-potentials and model potentials in collision problems . It is shown the potential energy curves for distinct systems obtained with both kinds of potentials. (A.C.A.S.) [pt

The state of the art in Japan's telecommunications energy systems - Strategy for Total Power Management -

Energy Technology Data Exchange (ETDEWEB)

Muroyama, Seiichi [NTT Power and Building Facilities Inc., Midori-cho, Musashino-shi, Tokyo (Japan)

2000-07-01

The ''strategy for total power management (STPM)'' was developed for managing problems in relation to energy for multimedia services in a comprehensive manner from the viewpoints of risk, cost, and environment. To provide integrated services based on STPM, a DC power supply system, a highly reliable UPS, and a co-generation system have been developed. (orig.)

A Different View of Solar Spectral Irradiance Variations: Modeling Total Energy over Six-Month Intervals.

Science.gov (United States)

Woods, Thomas N; Snow, Martin; Harder, Jerald; Chapman, Gary; Cookson, Angela

A different approach to studying solar spectral irradiance (SSI) variations, without the need for long-term (multi-year) instrument degradation corrections, is examining the total energy of the irradiance variation during 6-month periods. This duration is selected because a solar active region typically appears suddenly and then takes 5 to 7 months to decay and disperse back into the quiet-Sun network. The solar outburst energy, which is defined as the irradiance integrated over the 6-month period and thus includes the energy from all phases of active region evolution, could be considered the primary cause for the irradiance variations. Because solar cycle variation is the consequence of multiple active region outbursts, understanding the energy spectral variation may provide a reasonable estimate of the variations for the 11-year solar activity cycle. The moderate-term (6-month) variations from the Solar Radiation and Climate Experiment (SORCE) instruments can be decomposed into positive (in-phase with solar cycle) and negative (out-of-phase) contributions by modeling the variations using the San Fernando Observatory (SFO) facular excess and sunspot deficit proxies, respectively. These excess and deficit variations are fit over 6-month intervals every 2 months over the mission, and these fitted variations are then integrated over time for the 6-month energy. The dominant component indicates which wavelengths are in-phase and which are out-of-phase with solar activity. The results from this study indicate out-of-phase variations for the 1400 - 1600 nm range, with all other wavelengths having in-phase variations.

Electronic structure calculations on nitride semiconductors and their alloys

International Nuclear Information System (INIS)

Dugdale, D.

2000-09-01

Calculations of the electronic properties of AIN, GaN, InN and their alloys are presented. Initial calculations are performed using the first principles pseudopotential method to obtain accurate lattice constants. Further calculations then investigate bonding in the nitrides through population analysis and density of state calculations. The empirical pseudopotential method is also used in this work. Pseudopotentials for each of the nitrides are constructed using a functional form that allows strained material and alloys to be studied. The conventional k.p valence band parameters for both zincblende and wurtzite are obtained from the empirical band structure using two different methods. A Monte-Carlo fitting of the k.p band structure to the pseudopotential data (or an effective mass method for the zincblende structure) is used to produce one set. Another set is obtained directly from the momentum matrix elements and energy eigenvalues at the centre of the Brillouin zone. Both methods of calculating k.p parameters produce band structure in excellent agreement with the original empirical band calculations near the centre of the Brillouin zone. The advantage of the direct method is that it produces consistent sets of parameters, and can be used in studies involving a series of alloy compositions. Further empirical pseudopotential method calculations are then performed for alloys of the nitrides. In particular, the variation of the band gap with alloy composition is investigated, and good agreement with theory and experiment is found. The direct method is used to obtain k.p parameters for the alloys, and is contrasted with the fitting approach. The behaviour of the nitrides under strain is also studied. In particular. valence band offsets for nitride heterojunctions are calculated, and a strong forward- backward asymmetry in the band offset is found, in good agreement with other results in the literature. (author)

Ab initio investigation of the structural and electronic properties of the MgFBrxCl1-x quaternary alloy

Science.gov (United States)

Mokhtari, Ali; Alidoosti, Mohammad

2014-11-01

In the present work, we have performed first principles calculations to study the structural and electronic properties of the MgFBrxCl1-x quaternary alloys using the pseudo-potential plane wave approach within the framework of density functional theory. By using the optimized initial parameters, we have obtained the physical quantities such as equilibrium lattice constants a and c, cohesive energy and band gap and then fitted the results by a quadratic expression for all x compositions. The results of bulk modulus exhibit nearly linear concentration dependence (LCD) but other quantities show nonlinear dependence. Finally, we have calculated the total and angular momentum decomposed (partial) density of states and determined the contributions of different orbitals of each atoms.

Holistic virtual machine scheduling in cloud datacenters towards minimizing total energy

OpenAIRE

Li, Xiang; Garraghan, Peter; Jiang, Xiaohong; Wu, Zhaohui; Xu, Jie

2018-01-01

Energy consumed by Cloud datacenters has dramatically increased, driven by rapid uptake of applications and services globally provisioned through virtualization. By applying energy-aware virtual machine scheduling, Cloud providers are able to achieve enhanced energy efficiency and reduced operation cost. Energy consumption of datacenters consists of computing energy and cooling energy. However, due to the complexity of energy and thermal modeling of realistic Cloud datacenter operation, tradi...

Food Sources of Total Energy and Nutrients among U.S. Infants and Toddlers: National Health and Nutrition Examination Survey 2005–2012

Directory of Open Access Journals (Sweden)

Carley A. Grimes

2015-08-01

Full Text Available Understanding the dietary intakes of infants and toddlers is important because early life nutrition influences future health outcomes. The aim of this study was to determine the dietary sources of total energy and 16 nutrients in a nationally representative sample of U.S. infants and toddlers aged 0–24 months. Data from the 2005–2012 National Health and Nutrition Examination Survey were analyzed. Dietary intake was assessed in 2740 subjects using one 24-h dietary recall. The population proportion was used to determine the contribution of foods and beverages to nutrient intakes. Overall infant formulas and baby foods were the leading sources of total energy and nutrients in infants aged 0–11.9 months. In toddlers, the diversity of food groups contributing to nutrient intakes was much greater. Important sources of total energy included milk, 100% juice and grain based mixed dishes. A number of foods of low nutritional quality also contributed to energy intakes including sweet bakery products, sugar-sweetened beverages and savory snacks. Overall non-flavored milks and ready-to-eat cereals were the most important contributors to micronutrient intakes. In conclusion this information can be used to guide parents regarding appropriate food selection as well as inform targeted dietary strategies within public health initiatives to improve the diets of infants and toddlers.

Structural properties of III-V zinc-blende semiconductors under pressure

International Nuclear Information System (INIS)

Froyen, S.; Cohen, M.L.

1983-01-01

The pseudopotential method within the local-density approximation is used to investigate the static and structural properties of some III-V compound semiconductors. Comparisons of calculated total energies as a function of volume and structure yield information about solid-solid phase transformations. At high pressures the results indicate that several metallic structures are lower in energy than the zinc-blende structure. From our results the compounds (AlP, AlAs, GaP, and GaAs) can be divided into two classes. In the Ga compounds, we find a pressure-induced phase transformation to either rocksalt, β-Sn, or NiAs, whereas in the Al compounds rocksalt and NiAs are stabilized with respect to β-Sn. All structures except zinc blende are metallic. We discuss the electronic structure of each phase and show how it relates to structural stability

Ab initio interionic potentials for NaCl by multiple lattice inversion

International Nuclear Information System (INIS)

Zhang Shuo; Chen Nanxian

2002-01-01

Based on the Chen-Moebius lattice inversion and a series of pseudopotential total-energy curves, a different method is presented to derive the ab initio interionic pair potentials for B1-type ionic crystals. Comparing with the experimental data, the static properties of B1- and B2-type NaCl are well reproduced by the interionic potentials. Moreover, the phase stability of B1-NaCl has been described by the energy minimizations from the global deformed and disturbed states. The molecular-dynamics simulations for the molten NaCl indicate that the calculated mean-square displacements, radial distribution function, and diffusion coefficients gain good agreements with the experimental results. It can be concluded that the inversion pair potentials are valid over a wide range of interionic separations for describing the structural properties of B1-type ionic crystals

Structure and stability of ZrSiO4 under hydrostatic pressure

DEFF Research Database (Denmark)

Marques, M.; Florez, M.; Recio, J.M.

2006-01-01

-anvil cell using energy-dispersive synchrotron x-ray diffraction with emphasis on the pressure range 0-15 GPa. Static total-energy calculations have been performed within the density functional theory at local density and generalized gradient approximation levels using a plane-wave pseudopotential scheme....... Our quantum-mechanical simulations explore the pressure response of the two observed tetragonal structures (zircon- and scheelite-type reidite) as well as of other potential post-scheelite polymorphs up to about 60 GPa. We find very good agreement between our experimental and calculated pressure......-volume values for the low-pressure phase of ZrSiO4. A microscopic analysis of the bulk compressibility of zircon and reidite in terms of polyhedral and atomic contributions is proposed to clarify some of the discrepancies found in recent theoretical and experimental studies. Our results show the relevant role...

Food sources of total energy and overconsumed nutrients of public health concern among US adolescents: National Health and Nutrition Examination Survey 2011-2014

Science.gov (United States)

There is high intake of energy and overconsumed nutrients of public health concern in adolescents' diet. Overconsumed nutrients are sodium, saturated fatty acids (SFA), and added sugars. Our objective was to identify the most commonly consumed foods by adolescents as percentage of total energy, tota...

Quasiparticle semiconductor band structures including spin-orbit interactions.

Science.gov (United States)

Malone, Brad D; Cohen, Marvin L

2013-03-13

We present first-principles calculations of the quasiparticle band structure of the group IV materials Si and Ge and the group III-V compound semiconductors AlP, AlAs, AlSb, InP, InAs, InSb, GaP, GaAs and GaSb. Calculations are performed using the plane wave pseudopotential method and the 'one-shot' GW method, i.e. G(0)W(0). Quasiparticle band structures, augmented with the effects of spin-orbit, are obtained via a Wannier interpolation of the obtained quasiparticle energies and calculated spin-orbit matrix. Our calculations explicitly treat the shallow semicore states of In and Ga, which are known to be important in the description of the electronic properties, as valence states in the quasiparticle calculation. Our calculated quasiparticle energies, combining both the ab initio evaluation of the electron self-energy and the vector part of the pseudopotential representing the spin-orbit effects, are in generally very good agreement with experimental values. These calculations illustrate the predictive power of the methodology as applied to group IV and III-V semiconductors.

Importance of unit cells in accurate evaluation of the characteristics of graphene

Energy Technology Data Exchange (ETDEWEB)

Sabzyan, Hassan; Sadeghpour, Narges [Isfahan Univ. (Iran, Islamic Republic of). Dept. of Chemistry

2016-08-01

Effects of the size of the unit cell on energy, atomic charges, and phonon frequencies of graphene at the Γ point of the Brillouin zone are studied in the absence and presence of an electric field using density functional theory (DFT) methods (LDA and DFT-PBE functionals with Goedecker-Teter-Hutter (GTH) and Troullier-Martins (TM) norm-conserving pseudopotentials). Two types of unit cells containing n{sub c}=4-28 carbon atoms are considered. Results show that stability of graphene increases with increasing size of the unit cell. Energy, atomic charges, and phonon frequencies all converge above n{sub c}=24 for all functional-pseudopotentials used. Except for the LDA-GTH calculations, application of an electric field of 0.4 and 0.9 V/nm strengths does not change the trends with the size of the unit cell but instead slightly decreases the binding energy of graphene. Results of this study show that the choice of unit cell size and type is critical for calculation of reliable characteristics of graphene.

Change in fat-free mass assessed by bioelectrical impedance, total body potassium and dual energy X-ray absorptiometry during prolonged weight loss

DEFF Research Database (Denmark)

Hendel, H W; Gotfredsen, A; Højgaard, L

1996-01-01

A total of 16 obese women (body mass index (BMI) 30-43 kg m(-2)) participated in a weight reduction study. Before and after a weight loss of 11.7 +/- 7.4 kg (mean +/- SD), body composition was assessed by dual energy X-ray absorptiometry (DXA), and total body potassium counting (TBK). These measu...

Fission fragment yields and total kinetic energy release in neutron-induced fission of235,238U,and239Pu

Science.gov (United States)

Tovesson, F.; Duke, D.; Geppert-Kleinrath, V.; Manning, B.; Mayorov, D.; Mosby, S.; Schmitt, K.

2018-03-01

Different aspects of the nuclear fission process have been studied at Los Alamos Neutron Science Center (LANSCE) using various instruments and experimental techniques. Properties of the fragments emitted in fission have been investigated using Frisch-grid ionization chambers, a Time Projection Chamber (TPC), and the SPIDER instrument which employs the 2v-2E method. These instruments and experimental techniques have been used to determine fission product mass yields, the energy dependent total kinetic energy (TKE) release, and anisotropy in neutron-induced fission of U-235, U-238 and Pu-239.

A study of the nucleus-nucleus total reaction cross section of stable systems at intermediate energies: An application to 12C

Science.gov (United States)

Hu, Liyuan; Song, Yushou; Hou, Yingwei; Liu, Huilan; Li, Hui

2018-07-01

A semi-microscopic analytical expression of the nucleus-nucleus total reaction cross section (σR) was proposed based on the strong absorption model. It is suitable for stable nuclei at intermediate energies. The matter density distributions of nuclei and the nucleon-nucleon total cross section were both considered. Particularly, the Fermi motion effect of the nucleons in a nucleus was also taken into account. The parametrization of σR was applied to the colliding systems including 12C. The experimental data at energies from 30 to 1000 MeV/nucleon were well reproduced, according to which an approach of deriving σR without adjustable parameters was developed. The necessity of considering the Fermi motion effect in the parametrization was discussed.

ENDF/B-IV representation of the 238U total neutron cross section in the resolved resonance energy region

International Nuclear Information System (INIS)

de Saussure, G.; Olsen, D.K.; Perez, R.B.

1976-01-01

The ENDF/B-IV prescription fails to represent correctly the 238 U total (and scattering) cross section between the levels of the resolved range. It is shown how this representation can be improved by properly accounting for the contribution of levels outside the resolved region to the cross section at energies inside the resolved region, and by substituting the more precise multilevel Breit-Wigner formula for the presently used single-level formula. The importance of computing accurately the minima in the total cross section is illustrated by comparing values of the self-shielded capture resonance integral computed with ENDF/B-IV and with a more accurate cross section model

Neutron total cross section measurements in the energy region from 47 keV to 20 MeV

International Nuclear Information System (INIS)

Poenitz, W.P.; Whalen, J.F.

1983-05-01

Neutron total cross sections were measured for 26 elements. Data were obtained in the energy range from 47 keV to 20 MeV for 11 elements in the range of light-mass fission products. Previously reported measurements for eight heavy and actinide isotopes were extended to 20 MeV. Data were also obtained for Cu (47 keV to 1.4 MeV) and for Sc, Zn, Nd, Hf, and Pt (1.8 to 20 MeV). The present work is part of a continuing effort to provide accurate neutron total cross sections for evaluations and for optical-model parameteriztions. The latter are required for the derivation of other nuclear-data information of importance to applied programs. 37 references

Total-Factor Energy Efficiency (TFEE Evaluation on Thermal Power Industry with DEA, Malmquist and Multiple Regression Techniques

Directory of Open Access Journals (Sweden)

Jin-Peng Liu

2017-07-01

Full Text Available Under the background of a new round of power market reform, realizing the goals of energy saving and emission reduction, reducing the coal consumption and ensuring the sustainable development are the key issues for thermal power industry. With the biggest economy and energy consumption scales in the world, China should promote the energy efficiency of thermal power industry to solve these problems. Therefore, from multiple perspectives, the factors influential to the energy efficiency of thermal power industry were identified. Based on the economic, social and environmental factors, a combination model with Data Envelopment Analysis (DEA and Malmquist index was constructed to evaluate the total-factor energy efficiency (TFEE in thermal power industry. With the empirical studies from national and provincial levels, the TFEE index can be factorized into the technical efficiency index (TECH, the technical progress index (TPCH, the pure efficiency index (PECH and the scale efficiency index (SECH. The analysis showed that the TFEE was mainly determined by TECH and PECH. Meanwhile, by panel data regression model, unit coal consumption, talents and government supervision were selected as important indexes to have positive effects on TFEE in thermal power industry. In addition, the negative indexes, such as energy price and installed capacity, were also analyzed to control their undesired effects. Finally, considering the analysis results, measures for improving energy efficiency of thermal power industry were discussed widely, such as strengthening technology research and design (R&D, enforcing pollutant and emission reduction, distributing capital and labor rationally and improving the government supervision. Relative study results and suggestions can provide references for Chinese government and enterprises to enhance the energy efficiency level.

A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

Science.gov (United States)

Bates, Jefferson; Laricchia, Savio; Ruzsinszky, Adrienn

The Random Phase Approximation (RPA) is quickly becoming a standard method beyond semi-local Density Functional Theory that naturally incorporates weak interactions and eliminates self-interaction error. RPA is not perfect, however, and suffers from self-correlation error as well as an incorrect description of short-ranged correlation typically leading to underbinding. To improve upon RPA we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free for one and two electron systems in the high-density limit. By tuning the one free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy we obtain a non-local, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. To reduce the computational cost of the standard kernel-corrected RPA, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and non-metallic systems. Furthermore we stress that for norm-conserving implementations the accuracy of RPA and beyond RPA structural properties compared to experiment is inherently limited by the choice of pseudopotential. Current affiliation: King's College London.

Solar Total Energy Project (STEP) Performance Analysis of High Temperature Energy Storage Subsystem

Science.gov (United States)

Moore, D. M.

1984-01-01

The 1982 milestones and lessons learned; performance in 1983; a typical day's operation; collector field performance and thermal losses; and formal testing are highlighted. An initial test that involves characterizing the high temperature storage (hts) subsystem is emphasized. The primary element is on 11,000 gallon storage tank that provides energy to the steam generator during transient solar conditions or extends operating time. Overnight, thermal losses were analyzed. The length of time the system is operated at various levels of cogeneration using stored energy is reviewed.

Total and inelastic cross-sections at LHC at CM energy of 7 TeV and beyond

CERN Document Server

Achilli, Andrea; Grau, Agnes; Pancheri, Giulia; Shekhovtsova, Olga; Srivastava, Yogendra N

2011-01-01

We discuss expectations for the total and inelastic cross-sections at LHC CM energies $\\sqrt{s}\\ =\\ 7\\ TeV$ {and $ 14\\ TeV$} obtained in an eikonal minijet model augmented by soft gluon $k_t$-resummation, which we describe in some detail. We present a band of predictions which encompass recent LHC data and suggest that the inelastic cross-section described by two channel eikonal models include only uncorrelated processes. We show that this interpretation of the model is supported by the LHC data.

Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds II: Fluorides, Chlorides, Oxides, and Hydroxides for Ba, Sr, and Ra.

Science.gov (United States)

Vasiliu, Monica; Hill, J Grant; Peterson, Kirk A; Dixon, David A

2018-01-11

Geometry parameters, vibrational frequencies, heats of formation, bond dissociation energies, cohesive energies, and selected fluoride affinities (difluorides) are predicted for the late alkaline earth (Sr, Ba, and Ra) oxides, fluorides, chlorides, and hydroxides at the coupled cluster theory CCSD(T) level. Additional corrections (scalar relativistic and pseudopotential corrections, vibrational zero-point energies, and atomic spin-orbit effects) were included to accurately calculate the total atomization energies and heats of formation following the Feller-Peterson-Dixon methodology. The calculated values are compared to the experimental data where available. In some cases, especially for Ra compounds, there are no experimental results, or the experimental energetics and geometries are not reliable or have very large error bars. All of the Sr, Ba, and Ra difluorides, dichlorides, and dihydroxides are bent structures with the OMO bond angles decreasing going down the group. The cohesive energies of bulk Be dihalides are predicted to be quite low, while those of Ra are relatively large. The fluoride affinities show that the difluorides are moderately strong Lewis acids and that such trifluorides may form under the appropriate experimental conditions.

Total energy cycle assessment of electric and conventional vehicles: an energy and environmental analysis. Volume 2: appendices A-D to technical report

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-01-01

This report compares the energy use, oil use and emissions of electric vehicles (EVs) with those of conventional, gasoline- powered vehicles (CVs) over the total life cycle of the vehicles. The various stages included in the vehicles` life cycles include vehicle manufacture, fuel production, and vehicle operation. Disposal is not included. An inventory of the air emissions associated with each stage of the life cycle is estimated. Water pollutants and solid wastes are reported for individual processes, but no comprehensive inventory is developed. Volume II contains additional details on the vehicle, utility, and materials analyses and discusses several details of the methodology.

Total energy cycle assessment of electric and conventional vehicles: an energy and environmental analysis. Volume 4: peer review comments on technical report

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-01-01

This report compares the energy use, oil use and emissions of electric vehicles (EVs) with those of conventional, gasoline-powered vehicles (CVs) over the total life cycle of the vehicles. The various stages included in the vehicles` life cycles include vehicle manufacture, fuel production, and vehicle operation. Disposal is not included. An inventory of the air emissions associated with each stage of the life cycle is estimated. Water pollutants and solid wastes are reported for individual processes, but no comprehensive inventory is developed. Volume IV includes copies of all the external peer review comments on the report distributed for review in July 1997.

The total neutron cross section of 58Fe in the energy range 7 to 325 keV

International Nuclear Information System (INIS)

Hong, L.D.; Beer, H.; Kaeppeler, F.

1976-08-01

The total neutron cross section of 58 Fe has been determined in the energy range 7-325 keV by a transmission measurement using enriched 58 Fe samples. The data have been shape fitted by means of an R-matrix multi-level formalism to extract resonance parameters for s- and l > 0 wave resonances. The s-wave strength function was determined to S 0 = (4.3 +- 1.9) c 10 -4 . (orig.) [de

Total bremsstrahlung spectra of thick lead compounds produced by {sup 90}Sr beta emitter in photon energy region of 10–100 keV

Energy Technology Data Exchange (ETDEWEB)

Sharma, Suhansar Jit [Department of Physics, B.B.S.B Polytechnic, Fatehgarh Sahib, Punjab (India); Singh, Tajinder, E-mail: tajindersingh2k9@gmail.com [Department of Physics, Mata Gujri College, Fatehgarh Sahib, Punjab (India); Singh, Doordarshi [Department of Mechanical Engineering, B.B.S.B Engineering College, Fatehgarh Sahib, Punjab (India); Singh, Amrit [Department of Physics, Baba Ajay Singh Khalsa College, Gurdas Nangal, Gurdaspur, Punjab (India); Dhaliwal, A.S. [Department of Physics, Sant Longowal Institute of Engineering & Technology, Longowal (Sangrur), Punjab (India)

2017-06-15

Highlights: • Total bremsstrahlung spectra in thick targets of Pb compounds by {sup 90}Sr in energy range 10–100 keV. • Experimental results show better agreement with the model which includes PB in SA up to 30 keV. • At higher photon energy region 30–100 keV the model which describes OB is more accurate. • Experimental results show positive deviations from the entire models at higher energy end spectrum. - Abstract: The total bremsstrahlung spectra in the thick targets of lead acetate trihydrate (Pb(CH{sub 3}COO){sub 2}·3H{sub 2}O), lead nitrate Pb(NO{sub 3}){sub 2} and lead chloride (PbCl{sub 2}) produced by {sup 90}Sr beta particles have been investigated in the photon energy region of 10–100 keV. The experimental bremsstrahlung spectra have been compared with the theoretical models Elwert corrected (non relativistic) Bethe Heitler theory, modified Elwert factor (relativistic) Bethe Heitler theory for ordinary bremsstrahlung and modified Elwert factor (relativistic) Bethe Heitler theory which includes polarization bremsstrahlung in the stripped atom approximation. The experimental results show better agreement with theoretical model that includes polarization bremsstrahlung in stripped approximation in the photon energy region below 30 keV. However, at higher photon energy region 30–100 keV, the theoretical model which describes ordinary bremsstrahlung is more accurate to describe the experimental bremsstrahlung spectra. The experimental results show positive deviations from the entire theoretical models at higher energy end of the spectrum. The results indicate that polarization bremsstrahlung plays important role in the formation of total bremsstrahlung spectra in lead compounds produced by continuous beta particles at low photon energy region of 10–30 keV.

The total neutron cross-section of Nb at different temperatures for neutrons with energies below 1 eV

International Nuclear Information System (INIS)

Adib, M.; Abdel-Kawy, A.; Maayouf, R.M.A.; Fayek, M.; Mostafa, M.; Hamouda, I.

1981-09-01

Total neutron cross-section measurements have been performed for natural Nb at liquid nitrogen, room and 425 0 K temperatures in the energy range from 2 MeV - 1 eV. The measurements were performed using two time-of-flight spectrometers installed in front of two of the ET-RR-1 reactor horizontal channels. The neutron diffraction pattern of Nb, at room temperature, was obtained using a double axis crystal spectrometer installed also at the ET-RR-1 reactor. The obtained total neutron cross-sections were analyzed using the single level Breit-Wigner formula. The coherent scattering amplitude was determined from the Bragg reflections observed in the total neutron cross-section of Nb and the analysis of its neutron diffraction pattern. The incoherent and thermal inelastic scattering cross-sections of Nb were determined from the analysis of the total cross-section of Nb beyond the cut-off wavelength. The following results have been obtained: sigmasub(t) = (6.30+-0.20)b; sigmasub(coh) = (6.0+-0.3)b; sigmasub(incoh) = (2.0+-1.0)b; bsub(coh) = (6.91+-0.08)fm

Determination of the total neutron cross section using average energy shift method for filtered neutron beam

Directory of Open Access Journals (Sweden)

О. О. Gritzay

2016-12-01

Full Text Available Development of the technique for determination of the total neutron cross sections from the measurements of sample transmission by filtered neutrons, scattered on hydrogen is described. One of the methods of the transmission determination TH52Cr from the measurements of 52Cr sample, using average energy shift method for filtered neutron beam is presented. Using two methods of the experimental data processing, one of which is presented in this paper (another in [1], there is presented a set of transmissions, obtained for different samples and for different measurement angles. Two methods are fundamentally different; therefore, we can consider the obtained processing results, using these methods as independent. In future, obtained set of transmissions is planned to be used for determination of the parameters E0, Гn and R/ of the resonance 52Cr at the energy of 50 keV.

An investigation of impurity centers in semiconductors of variable composition. Part 1: General theory and some applications

Science.gov (United States)

Vonroos, O. H.

1982-01-01

A theory of deep point defects imbedded in otherwise perfect semiconductor crystals is developed with the aid of pseudopotentials. The dominant short-range forces engendered by the impurity are sufficiently weakened in all cases where the cancellation theorem of the pseudopotential formalism is operative. Thus, effective-mass-like equations exhibiting local effective potentials derived from nonlocal pseudopotentials are shown to be valid for a large class of defects. A two-band secular determinant for the energy eigenvalues of deep defects is also derived from the set of integral equations which corresponds to the set of differential equations of the effective-mass type. Subsequently, the theory in its simplest form, is applied to the system Al(x)Ga(1-x)As:Se. It is shown that the one-electron donor level of Se within the forbidden gap of Al(x)Ga(1-x)As as a function of the AlAs mole fraction x reaches its maximum of about 300 meV (as measured from the conduction band edge) at the cross-over from the direct to the indirect band-gap at x = 0.44 in agreement with experiments.

Yield of Prompt Gamma Radiation in Slow-Neutron Induced Fission of 235U as a Function of the Total Fragment Kinetic Energy

Energy Technology Data Exchange (ETDEWEB)

Albinsson, H [Chalmers Univ. of Technology, Goeteborg (SE)

1971-07-01

Fission gamma radiation yields as functions of the total fragment kinetic energy were obtained for 235U thermal-neutron induced fission. The fragments were detected with silicon surface-barrier detectors and the gamma radiation with a Nal(Tl) scintillator. In some of the measurements mass selection was used so that the gamma radiation could also be measured as a function of fragment mass. Time discrimination between the fission gammas and the prompt neutrons released in the fission process was employed to reduce the background. The gamma radiation emitted during different time intervals after the fission event was studied with the help of a collimator, the position of which was changed along the path of the fission fragments. Fission-neutron and gamma-ray data of previous experiments were used for comparisons of the yields, and estimates were made of the variation of the prompt gamma-ray energy with the total fragment kinetic energy

Fort Hood Solar Total Energy Project. Volume II. Preliminary design. Part 2. System performance and supporting studies. Final report

Energy Technology Data Exchange (ETDEWEB)

None,

1979-01-01

The preliminary design developed for the Solar Total Energy System to be installed at Fort Hood, Texas, is presented. System performance analysis and evaluation are described. Feedback of completed performance analyses on current system design and operating philosophy is discussed. The basic computer simulation techniques and assumptions are described and the resulting energy displacement analysis is presented. Supporting technical studies are presented. These include health and safety and reliability assessments; solar collector component evaluation; weather analysis; and a review of selected trade studies which address significant design alternatives. Additional supporting studies which are generally specific to the installation site are reported. These include solar availability analysis; energy load measurements; environmental impact assessment; life cycle cost and economic analysis; heat transfer fluid testing; meteorological/solar station planning; and information dissemination. (WHK)

Measurements of the total neutron cross-sections of poly- and mono-germanium crystals at neutron energies below 1 eV

International Nuclear Information System (INIS)

Maayouf, R.M.A.; Abdel-Kawy, A.; Abbas, Y.; Habib, N.; Adib, M.; Hamouda, I.

1983-12-01

Total neutron cross-section measurements have been performed for poly and mono-germanium crystals in the energy range from 2 meV-1eV. The measurements were performed using two TOF and a double axis crystal spectrometer installed at the ET-RR-1 reactor. The obtained neutron cross-sections were analyzed using the single level Breit-Wigner formula. The coherent scattering amplitude was determined from the Bragg reflections observed in the total neutron cross-section of Ge and the analysis of its neutron diffraction pattern. The incoherent and thermal diffuse scattering cross-sections of Ge were estimated from the analysis of the total cross-section data obtained for Ge mono-crystal

Electron-impact rotationally elastic total cross sections for H2CO and HCOOH over a wide range of incident energy (0.01-2000 eV)

International Nuclear Information System (INIS)

Vinodkumar, Minaxi; Bhutadia, Harshad; Antony, Bobby; Mason, Nigel

2011-01-01

This paper reports computational results of the total cross sections for electron impact on H 2 CO and HCOOH over a wide range of electron impact energies from 0.01 eV to 2 keV. The total cross section is presented as sum of the elastic and electronic excitation cross sections for incident energies. The calculation uses two different methodologies, below the ionization threshold of the target the cross section is calculated using the UK molecular R-matrix code through the Quantemol-N software package while cross sections at higher energies are evaluated using the spherical complex optical potential formalism. The two methods are found to be consistent at the transition energy (∼15 eV). The present results are, in general, found to be in good agreement with previous experimental and theoretical results (wherever available) and, thus, the present results can serve as a benchmark for the cross section over a wide range of energy.

On total cross sections and slopes at superhigh energies

International Nuclear Information System (INIS)

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

1985-01-01

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

Total cross section measurements for νμ, ν-barμ interactions in 3 - 30 GeV energy range with IHEP - JINR neutrino detector

International Nuclear Information System (INIS)

Anikeev, V.B.; Belikov, S.V.; Borisov, A.A.

1995-01-01

The results of total cross section measurements for the ν μ , ν-bar μ interactions with isoscalar target in the 3 - 30 GeV energy range have been presented. The data were obtained with the IHEP - JINR Neutrino Detector in the 'natural' neutrino beams of the U - 70 accelerator. The significant deviation from the linear dependence for σ tot versus neutrino energy is determined in the energy range less than 15 GeV. 46 refs., 10 figs., 5 tabs

Single- and dual energy QCT around acetabular cups in total hip arthroplasty using 3-dimensional segmentation

DEFF Research Database (Denmark)

Mussmann, Bo Redder; Andersen, Poul Erik; Torfing, Trine

of segmentation software and to compare bone mineral density (BMD) measurements in single- and dual energy CT (SECT and DECT) Materials and Methods: 24 male patients with total hip arthroplasty (12 cemented and 12 uncemented) were scanned and rescanned using SECT and virtual monochromatic DECT images. 3D- ROIs......Background: Bone density measurements around hip implants are challenged by artifacts and the complex anatomy of the acetabulum. We developed 3D segmentation software and used dual energy CT to reduce artifacts. Purpose / Aim of Study: To test the between-scan agreement and reliability...... the cemented cup the mean BMD for SECT was 523 mg/ccm with a between-scan difference of 14 mg/ccm, p=0.25 and 186 mg/ccm in DECT with a difference of 6 mg/ccm, p=0.15. ICC was >0.95 with more narrow limits of agreement in DECT compared with SECT. Computed tomography dose index (CTDI) was 25% higher with DECT...

Thermodynamics properties of lanthanide series near melting point-A pseudopotential approach

Science.gov (United States)

Suthar, P. H.; Gajjar, P. N.

2018-04-01

The present paper deals with computational study of thermodynamics properties for fifteen elements of lanthanide series. The Helmholtz free energy (F), Internal energy (E) and Entropy (S)have been computed using variational method based on the Gibbs-Bogoliubov (GB) along with Percus-Yevick hard sphere reference system and Gajjar's model potential. The local field correction function proposed by Taylor is applied to introduce the exchange and correlation effects in the study of thermodynamics of these metals. The present results in comparison with available theoretical and experimental are found to be in good agreement and confirm the ability of the model potential.

Robust total energy demand estimation with a hybrid Variable Neighborhood Search – Extreme Learning Machine algorithm

International Nuclear Information System (INIS)

Sánchez-Oro, J.; Duarte, A.; Salcedo-Sanz, S.

2016-01-01

Highlights: • The total energy demand in Spain is estimated with a Variable Neighborhood algorithm. • Socio-economic variables are used, and one year ahead prediction horizon is considered. • Improvement of the prediction with an Extreme Learning Machine network is considered. • Experiments are carried out in real data for the case of Spain. - Abstract: Energy demand prediction is an important problem whose solution is evaluated by policy makers in order to take key decisions affecting the economy of a country. A number of previous approaches to improve the quality of this estimation have been proposed in the last decade, the majority of them applying different machine learning techniques. In this paper, the performance of a robust hybrid approach, composed of a Variable Neighborhood Search algorithm and a new class of neural network called Extreme Learning Machine, is discussed. The Variable Neighborhood Search algorithm is focused on obtaining the most relevant features among the set of initial ones, by including an exponential prediction model. While previous approaches consider that the number of macroeconomic variables used for prediction is a parameter of the algorithm (i.e., it is fixed a priori), the proposed Variable Neighborhood Search method optimizes both: the number of variables and the best ones. After this first step of feature selection, an Extreme Learning Machine network is applied to obtain the final energy demand prediction. Experiments in a real case of energy demand estimation in Spain show the excellent performance of the proposed approach. In particular, the whole method obtains an estimation of the energy demand with an error lower than 2%, even when considering the crisis years, which are a real challenge.

Studies in the electronic structure of matter

International Nuclear Information System (INIS)

Miller, D.L.

1979-01-01

KLL Auger transition rates for helium are computed using simple atomic orbital wavefunctions which take into account the difference in average electron--electron repulsion of initial and final states. The results are consistent with transition rates computed by other authors using a variety of many-electron techniques. It is suggested that wavefunctions determined in the manner described provide a useful representation of the autoionizing state within the first Bohr radius. A method for extracting atomic pseudopotentials from photoelectron angular distributions is described and applied photoionization of the outermost p shells of Ar, Kr, and Xe and to the 4d shell of Xe. The pseudopotentials obtained reproduce the data, and also predict accurate cross sections and phase shifts for photoelectron energies up to 100 eV. It is suggested that the pseudopotentials aptly mimic the effects of intrashell electron--electron correlations in the photoionization process. The extended Hueckel theory is applied to the nitrogen trap in GaAs and GaP. Perfect crystal band structures are computed and are shown to be in reasonable agreement with those computed with empirical pseudopotentials. Nitrogen impurity levels in GaAs and GaP are computed using an extended Hueckel cluster model. In each case the model predicts two states within the band gap, in contrast to experiment which detects one impurity state in GaP and none in GaAs. It is suggested that the choice of cluster used unrealistically concentrates states near the conduction band edge on the central atom

Electronic and structural properties of {beta}-Be{sub 3}N{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mokhtari, A.; Akbarzadeh, H

2002-12-01

We report the results of a theoretical study of the electronic and structural properties of the hexagonal beryllium nitride, using first principle pseudopotential plane wave (PP-PW) as well as full potential linearized augmented plane wave (FP-LAPW) methods within density functional theory. In the case of PP-PW we generated the pseudopotential by the highly optimized Q{sub c}-tuning method and used the local density approximation and generalized gradient approximation (GGA) for the exchange-correlation potential. We applied pressure on the unit cell by the Wentzcovitch and traditional methods. In the FP-LAPW approach only the GGA was used for the exchange-correlation potential. Our calculated values for structural properties, based on both approaches are in reasonable agreement with experimental and other theoretical (Hartree Fock) results. By applying the above two approaches and also the Tight Binding Linear Muffin Thin Orbital method, the ground state Kohn-Sham eigenvalues were calculated. The energy bands in three cases were similar and except for the energy gap values they were in good agreement with other theoretical results. Various versions of GGA functionals are usually obtained by optimizing the exchange correlation energy E{sub XC} rather than the corresponding potential V{sub XC}. As these functionals are not able to simultaneously reproduce E{sub XC} and V{sub XC}, hence they cannot obtain an accurate value for the band gap which mainly depends on the potential. Engel and Vosko (Phys. Rev. B 47 (1993) 13164) have proposed an alternate form of GGA which is based on optimizing V{sub XC} instead of the integral quantity E{sub XC}. We used this functional to calculate the band gap and the result seems to be more reasonable. Finally the total and partial densities of states were calculated for each atom.

Total facing the new oil and gas situation

International Nuclear Information System (INIS)

Desmarest, Th.

2006-01-01

Total produces oil and gas in more than thirty countries, and contributes to warding off energy shortfalls through its exploration and investment programmes, through its expertise at the leading edge of hydrocarbon technology, and by its attention to the interests of host countries. However, the combination of unflagging demand and growing dependence vis-a-vis the principal producing regions is a source of tension and of risks which call for a much greater discipline in energy consumption and a diversification of energy sources. Thierry Desmarest, the Chairman and Managing Director of Total, gives his view of the new energy situation. (author)

Effect of three-body forces on the lattice dynamics of noble metals

Indian Academy of Sciences (India)

A simple method to generate an effective electron–ion interaction pseudopotential from the energy wave number characteristic obtained by first principles calculations has been suggested. This effective potential has been used, in third order perturbation, to study the effect of three-body forces on the lattice dynamics of ...

First-principle study of the AlP/Si interfacial adhesion

Energy Technology Data Exchange (ETDEWEB)

Dai Hongshang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, 73 Jingshi Road, Jinan 250061 (China); Du Jing [School of Science, Shandong Jianzhu University, Jinan 250101 (China); Wang Li; Peng Chuanxiao [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, 73 Jingshi Road, Jinan 250061 (China); Liu Xiangfa, E-mail: xfliu@sdu.edu.c [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, 73 Jingshi Road, Jinan 250061 (China); Shandong Binzhou Bohai Piston Co. Ltd., Binzhou 256602, Shandong (China)

2010-01-15

AlP is heterogeneous nucleation substrate of primary Si in hypereutectic Al-Si alloys, while studies on the nucleation mechanism at atomic level are absent. The pseudopotential-based DFT calculations have been carried out to investigate the atomic and electronic structure, bonding and adhesion of the AlP/Si interface. In total, eight geometries have been investigated, in which the interfacial stacking sequence is different. The favorable interfaces can be deduced for the reason that adhesive interface energies (W{sub ad}) are different, which cannot be obtained from the traditional mismatch theory. The interfacial density of states and Mulliken population are also investigated. It is found that the main bond between AlP and Si is covalent Al-Si or P-Si bond, accompanying some ionic characteristic.

Theoretical study of the elastic properties of titanium nitride

Institute of Scientific and Technical Information of China (English)

Jingdong CHEN; Yinglu ZHAO; Benhai YU; Chunlei WANG; Deheng SHI

2009-01-01

The equilibrium lattice parameter, relative volume V/Vo, elastic constants Cij, and bulk modulus of titanium nitride are successfully obtained using the ab initio plane-wave pseudopotential (PW-PP) method within the framework of density functional theory. The quasi-harmonic Debye model, using a set of total energy vs molar volume obtained with the PW-PP method, is applied to the study of the elastic properties and vibrational effects. We analyze the relationship between the bulk modulus and temperature up to 2000 K and obtain the relationship between bulk modulus B and pressure at different temperatures. It is found that the bulk modulus B increases monotonously with increasing pressure and decreases with increasing temperature. Moreover, the Debye temperature is determined from the non-equilibrium Gibbs func-tions.

Energy Choices. Efficient Energy Use - possibilities and barriers; Vaegval Energi. Energieffektivisering - moejligheter och hinder

Energy Technology Data Exchange (ETDEWEB)

Jagemar, Lennart (CIT Energy Management AB, Goeteborg (Sweden)); Pettersson, Bertil (Chalmers EnergiCentrum, CEC, Chalmers Univ. of Technology, Goeteborg (Sweden))

2009-02-15

Sweden's total energy supply in 2006 amounted to a total of 624 TWh and was dominated by crude oil, nuclear fuels, biofuels and hydropower. Different types of losses in the system accounts for one third of the energy. The final energy consumption, i.e. delivery minus losses, was divided in the following way: industry 157 TWh, the habitat of 145 TWh (of which 19 TWh relates to Agriculture, Forestry, Fishery and other service and secondary homes) and transport of 101 TWh. For the transport sector, studies show that combinations of various efficiency measures ideally can achieve an reduction in energy use by between 60 and 75 percent. The Governmental Energy Efficiency Inquiry (EnEff - 2008) estimated that the domestic transport techno-economic efficiency potential up to 2016 is 13 TWh (mainly fuel) of the total delivered energy is 87 TWh under EnEff. The potential about 5 TWh is expected to be completed by current instruments. The study assesses that despite the increased need for transport in 2016 the sector's energy use can remain at the same level or even be reduced. Buildings have a large technical and economic energy efficiency potential. According to EnEff's assessment, the streamlining potential is 33 TWh of which 8 TWh can implemented in 2016 with today's instruments. This compares with the total delivered energy is 151 TWh under EnEff. The total energy efficiency potential for buildings by 2020 is considered to be substantially higher, about 41 TWh, and affect the use of district heating, fuel and electricity. New powerful tools must be implemented for the building sector in order to realize the potential energy efficiency measures. Industry's total energy potential is assessed to be around 13 TWh by 2016. Industry's total energy use is 155 TWh according to EnEff. Only 2 TWh can realistically be saved up to 2016 taking into account a reasonable acceptance factor. The beneficiaries of the carbon emissions trade account for about

Beverage Consumption Habits and Association with Total Water and Energy Intakes in the Spanish Population: Findings of the ANIBES Study.

Science.gov (United States)

Nissensohn, Mariela; Sánchez-Villegas, Almudena; Ortega, Rosa M; Aranceta-Bartrina, Javier; Gil, Ángel; González-Gross, Marcela; Varela-Moreiras, Gregorio; Serra-Majem, Lluis

2016-04-20

Inadequate hydration is a public health issue that imposes a significant economic burden. In Spain, data of total water intake (TWI) are scarce. There is a clear need for a national study that quantifies water and beverage intakes and explores associations between the types of beverages and energy intakes. The Anthropometry, Intake and Energy Balance Study ANIBES is a national survey of diet and nutrition conducted among a representative sample of 2285 healthy participants aged 9-75 years in Spain. Food and beverage intakes were assessed in a food diary over three days. Day and time of beverage consumption were also recorded. On average, TWI was 1.7 L (SE 21.2) for men and 1.6 L (SE 18.9) for women. More than 75% of participants had inadequate TWI, according to European Food Safety Authority (EFSA) recommendations. Mean total energy intake (EI) was 1810 kcal/day (SE 11.1), of which 12% was provided by beverages. Water was the most consumed beverage, followed by milk. The contribution of alcoholic drinks to the EI was near 3%. For caloric soft drinks, a relatively low contribution to the EI was obtained, only 2%. Of eight different types of beverages, the variety score was positively correlated with TWI (r = 0.39) and EI (r = 0.23), suggesting that beverage variety is an indicator of higher consumption of food and drinks. The present study demonstrates that well-conducted surveys such as the ANIBES study have the potential to yield rich contextual value data that can emphasize the need to undertake appropriate health and nutrition policies to increase the total water intake at the population level promoting a healthy Mediterranean hydration pattern.

Development of a Total Energy, Environment and Asset Management (TE2AM tm) Curriculum

Energy Technology Data Exchange (ETDEWEB)

O' Leary, Phillip R. [Univ. of Wisconsin, Madison, WI (United States)

2012-12-31

The University of Wisconsin Department of Engineering Professional Development (EPD) has completed the sponsored project entitled, Development of a Total Energy, Environment and Asset Management (TE2AM) Curriculum. The project involved the development of a structured professional development program to improve the knowledge, skills, capabilities, and competencies of engineers and operators of commercial buildings. TE2AM advances a radically different approach to commercial building design, operation, maintenance, and end of life disposition. By employing asset management principles to the lifecycle of a commercial building, owners and occupants will realize improved building performance, reduced energy consumption and positive environmental impacts. Through our commercialization plan, we intend to offer TE2AM courses and certificates to the professional community and continuously improve TE2AM course materials. The TE2AM project supports the DOE Strategic Theme 1 Energy Security; and will further advance the DOE Strategic Goal 1.4 Energy Productivity. Through participation in the TE2AM curriculum, engineers and operators of commercial buildings will be eligible for a professional certificate; denoting the completion of a prescribed series of learning activities. The project involved a comprehensive, rigorous approach to curriculum development, and accomplished the following goals: 1. Identify, analyze and prioritize key learning needs of engineers, architects and technical professionals as operators of commercial buildings. 2. Design and develop TE2AM curricula and instructional strategies to meet learning needs of the target learning community. 3. Establish partnerships with the sponsor and key stakeholders to enhance the development and delivery of learning programs. 4. Successfully commercialize and sustain the training and certificate programs for a substantial time following the term of the award. The project team was successful in achieving the goals and

Total cross-sections for reactions of high energy particles (including elastic, topological, inclusive and exclusive reactions). Subvol. b

International Nuclear Information System (INIS)

Schopper, H.; Moorhead, W.G.; Morrison, D.R.O.

1988-01-01

The aim of this report is to present a compilation of cross-sections (i.e. reaction rates) of elementary particles at high energy. The data are presented in the form of tables, plots and some fits, which should be easy for the reader to use and may enable him to estimate cross-sections for presently unmeasured energies. We have analyzed all the data published in the major Journals and Reviews for momenta of the incoming particles larger than ≅ 50 MeV/c, since the early days of elementary particle physics and, for each reaction, we have selected the best cross-section data available. We have restricted our attention to integrated cross-sections, such as total cross-sections, exclusive and inclusive cross-sections etc., at various incident beam energies. We have disregarded data affected by geometrical and/or kinematical cuts which would make them not directly comparable to other data at different energies. Also, in the case of exclusive reactions, we have left out data where not all of the particles in the final state were unambiguously identified. This work contains reactions induced by neutrinos, gammas, charged pions, kaons, nucleons, antinucleons and hyperons. (orig./HSI)

Distributed Flexibility Management Targeting Energy Cost and Total Power Limitations in Electricity Distribution Grids

DEFF Research Database (Denmark)

Bessler, Sanford; Kemal, Mohammed Seifu; Silva, Nuno

2018-01-01

Demand Management uses the interaction and information exchange between multiple control functions in order to achieve goals that can vary in different application contexts. Since there are several stakeholders involved, these may have diverse objectives and even use different architectures...... to actively manage power demand. This paper utilizes an existing distributed demand management architecture in order to provide the following contributions: (1) It develops and evaluates a set of algorithms that combine the optimization of energy costs in scenarios of variable day-ahead prices with the goal...... to improve distribution grid operation reliability, here implemented by a total Power limit. (2) It evaluates the proposed scheme as a distributed system where flexibility information is exchanged with the existing industry standard OpenADR. A Hardware-in-the-Loop testbed realization demonstrates...

Energy in Croatia, Annual Energy Report

International Nuclear Information System (INIS)

1998-12-01

The Ministry of Economic Affairs continues its task of observing and informing about the Croatian energy system. The review consists of the most recent and classified data on 1997 and the previous four years. Compared to previous year, in 1997 the total primary energy supply decreased by 1,3 percent. At the same time the gross domestic product increased by 6,5 percent, thus the energy intensity dropped, which is a positive trend. The energy intensity, the value showing the total energy consumed per unit of gross domestic product, exceeds the level realised by the Western European countries, but it is at the same time more favourable related to the transition economy countries. On the other hand, 1997 saw a decrease in the primary energy production by 8,9 percent, resulting from the decline in the production of natural gas, oil and coal, and naturally, unfavourable hydrological conditions. Thus, own supply dropped to 57 percent, the lowest recorded in the past five years. In 1997 the losses and operational consumption of energy decreased more than the non-energy consumption increased, but despite the decrease of the total primary energy supply there occurred an increase of final energy demand by total of 4,4 percent, 2,1 of which in general consumption, 5,5 in transport and 7,8 percent in industry. Apart from these data, the review considers all other relevant indicators showing a positive shift but leaving space for further improvements with the aim of achieving higher energy system efficiency

Change in fat-free mass assessed by bioelectrical impedance, total body potassium and dual energy X-ray absorptiometry during prolonged weight loss

DEFF Research Database (Denmark)

Hendel, H W; Gotfredsen, A; Højgaard, L

1996-01-01

A total of 16 obese women (body mass index (BMI) 30-43 kg m(-2)) participated in a weight reduction study. Before and after a weight loss of 11.7 +/- 7.4 kg (mean +/- SD), body composition was assessed by dual energy X-ray absorptiometry (DXA), and total body potassium counting (TBK). These measu......A total of 16 obese women (body mass index (BMI) 30-43 kg m(-2)) participated in a weight reduction study. Before and after a weight loss of 11.7 +/- 7.4 kg (mean +/- SD), body composition was assessed by dual energy X-ray absorptiometry (DXA), and total body potassium counting (TBK......). These measurements were compared with bioimpedance analysis (BIA) by applying 11 predictive BIA equations published in the literature. Predictive equations for the present study population were developed, with the use of fat-free mass (FFM) as assessed by TBK and DXA as references in multiple regression analysis....... The results of the BIA equations varied widely; FFM was generally overestimated by BIA as compared with DXA and TBK before and after weight loss. During weight loss, the FFM did not change, as estimated by DXA (1.3 +/- 2.3 kg, p > 0.05) and TBK (0.9 +/- 2.9 kg, p > 0.05). The recorded change in impedance (R...

Energy in Croatia 2009, Annual Energy Report

International Nuclear Information System (INIS)

2010-01-01

With the eighteenth edition of the Review Energy in Croatia, Ministry of Economy, Labour and Entrepreneurship continues the practice of informing domestic and foreign public on relations and trends within the Croatian energy sector. This Review gives, in a recognizable and comprehensible way, data and characteristic values relevant to the Croatian energy sector, providing an overview on energy production and consumption at all levels. There is a detailed analysis of the trends present in the energy sector as well as a number of information on capacities, reserves, prices and energy balances for crude oil, all petroleum products, natural gas, electricity, heat energy, coal and renewable energy sources. The Review also brings the main economic and financial indicators, data on air pollutant emissions and main energy efficiancy indicators. It also gives the ODEX energy efficiancy index, which is determined according to the methodology used in the European Union. This indicator monitors the energy efficiancy trends over a period of time in the sectors of industry, transport, households and in total consumption. Finally, the Review brings the energy balances of the Republic of Croatia for the years 2008 and 2009, made following the EUROSTAT and IEA methodologies. In 2009 total energy demand in Croatia was 1.6 percent lower than the year before. At the same time, gross domestic product fell by 5.8 percent, which as a result gave a 4.4 percent higher level of energy intensity in total energy consumption. When compared to the average energy intensity level in the EU (EU27), the energy intensity in Croatia was 6.8 percent higher. The primary energy production in 2009 was 7.1 percent higher form the previous year. Also, due to favorable hydrological situation the hydropower utilization grew by 31 percent. The energy from renewable sources increased by 29.8 percent and the energy from fuel wood increased by 5.6 percent. The production of crude oil in 2009 decreased by 6

Total β-decay energies and atomic masses in regions far from β-stability

International Nuclear Information System (INIS)

Aleklett, K.

1977-01-01

This thesis is a summary of experimental investigations on total β-decay energies and deduced atomic masses of nuclei far from the region of β-stability. The Qsub(β) values are given for isotopes of Zn, Ga, Ge, As, Br, Rb, In, Sn, Sb, Te, Cs, Fr, Ra and Ac, with β-unstable nuclei. These unstable nuclei have very short half-lives, often below 10s, and the experimental techniques for the production, separation and collection of these short-lived nuclei are described. Neutron deficient nuclides were produced by spallation, in the ISOLDE facility, and neutron deficient nuclides were produced by thermal neutron induced fission of 235 U in the OSIRIS facility. β-spectra were recorded using an Si(Li)-detector and a coincidence system. Qsub(β) values obtained from mass formulae have been compared with experimental values obtained in different mass regions and a comparison made between results obtained from different droplet mass formulae. (B.D.)

Report on a survey in fiscal 1999. Part 3. Survey on total energy and material control (Survey on feasibility of structuring a circulation type society); 1999 nendo total energy and material control ni kansuru chosa hokokusho. 3. Junkangata shakai kochiku kanosei chosa

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-03-01

Structuring a circulation type society indispensably requires effective utilization of energies and resources, to which approaches have been taken by industries independently. An approach upon structuring an industry crossing network may be taken effective for further effective utilization of the energies and resources. The present survey is intended to extract problems therefrom. It is also intended to perform surveys and studies on the following three points: (1) process-linking with different industries aimed at zero wasting in industrial complexes and electric furnaces dispersed adequately nationwide, (2) effective use and cascading utilization of energies and resources, and (3) a circulating type economic system simulation using metallic material industry as the core. It is further intended that problems shall be extracted; the results are compiled as the 'basic technology development for the metallic material circulating type economic system'; technological development themes are extracted; and the draft proposal shall be prepared. The total energy and materials control system (TECOS) activities are aimed at structuring a circulation type industrial structure, in which the following requirements are executed: the process-linking transcending the conventional industrial boundaries is performed; substances included in respective materials and discharges, and energies used in the processes are controlled comprehensively; the energies are utilized at ultra-high efficiency; and minimization of all the discharges is realized. (NEDO)

Report on a survey in fiscal 1999. Part 3. Survey on total energy and material control (Survey on feasibility of structuring a circulation type society); 1999 nendo total energy and material control ni kansuru chosa hokokusho. 3. Junkangata shakai kochiku kanosei chosa

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-03-01

Structuring a circulation type society indispensably requires effective utilization of energies and resources, to which approaches have been taken by industries independently. An approach upon structuring an industry crossing network may be taken effective for further effective utilization of the energies and resources. The present survey is intended to extract problems therefrom. It is also intended to perform surveys and studies on the following three points: (1) process-linking with different industries aimed at zero wasting in industrial complexes and electric furnaces dispersed adequately nationwide, (2) effective use and cascading utilization of energies and resources, and (3) a circulating type economic system simulation using metallic material industry as the core. It is further intended that problems shall be extracted; the results are compiled as the 'basic technology development for the metallic material circulating type economic system'; technological development themes are extracted; and the draft proposal shall be prepared. The total energy and materials control system (TECOS) activities are aimed at structuring a circulation type industrial structure, in which the following requirements are executed: the process-linking transcending the conventional industrial boundaries is performed; substances included in respective materials and discharges, and energies used in the processes are controlled comprehensively; the energies are utilized at ultra-high efficiency; and minimization of all the discharges is realized. (NEDO)

Fiscal 1974 Sunshine Project result report. Research on solar energy utilization systems (total system); 1974 nendo taiyo energy riyo system chosa kenkyu seika hokokusho. Total system

Energy Technology Data Exchange (ETDEWEB)

NONE

1975-03-01

The current most important solar energy utilization fields are solar energy power generation (solar heat and photovoltaic power generation), and solar heat cooling and heating. A solar heat power system collects or stores solar thermal energy as energy source of power systems, and converts it to electric power through heat exchange systems. To establish such system, not only R and D on a collector, absorption capsule, storage unit and heat transfer unit, but also complete study on an optimum system configuration and environmental impact are necessary. A photovoltaic power system converts solar energy to electric power directly by photoelectric conversion device such solar cell. Except specific local uses, drastic cost reduction and improvement of a conversion efficiency (at present 12-15%) and life (several years) are necessary for solar cells. Although a lot of solar heat cooling and heating systems is in practical use in Japan, for its further diffusion an important research task is development of heat collector excellent in efficiency, cost, life and maintainability. (NEDO)

Energy in Croatia 2012, Annual Energy Report

International Nuclear Information System (INIS)

2013-01-01

With the twenty-first edition of the Review Energy in Croatia, Ministry of Economy, Labour and Entrepreneurship continues the practice of informing domestic and foreign public on relations and trends within the Croatian energy sector. This Review gives, in a recognizable and comprehensible way, data and characteristic values relevant to the Croatian energy sector, providing an overview on energy production and consumption at all levels. There is a detailed analysis of the trends present in the energy sector as well as a number of information on capacities, reserves, prices and energy balances for crude oil, all petroleum products, natural gas, electricity, heat energy, coal and renewable energy sources. The Review also brings the main economic and financial indicators, data on air pollutant emissions and main energy efficiancy indicators. It also gives the ODEX energy efficiency index, which is determined according to the methodology used in the European Union. This indicator monitors the energy efficiancy trends over a period of time in the sectors of industry, transport, households and in total consumption. Finally, the Review brings the energy balances of the Republic of Croatia for the years 2011 and 2012, made following the EUROSTAT and IEA methodologies. In 2012 total energy demand in Croatia was 4.7 percent lower than the year before. At the same time, gross domestic product fell by 2 percent, which resulted in a decrease in a total primary energy supply intensity by 2.8 percent. When compared to the average energy intensity level in the EU (EU27), the energy intensity in Croatia was 6.9 percent higher. The primary energy production in 2012 decreased by 5.6 compared to the previous year. Also, due to hydrological situation the hydropower utilization grew by 6.7 percent. The energy from renewable sources increased by 29.8 percent and the energy from fuel wood increased by 5.6 percent. The production of crude oil in 2012 decreased by 9.7 percent and of natural

Applied quantum chemistry advanced laser development. Final progress report, 1 October 1978-30 September 1979

International Nuclear Information System (INIS)

Krauss, M.; Stevens, W.J.; Julienne, P.S.; Mies, F.H.

1979-11-01

The included summaries are divided into three categories. First, the theoretical analyses of Raman processes in intense fields are described. Second, the electronic structure calculations are presented with a brief description of pseudopotential code development. Third, the analysis of absorption processes, both collision-induced and photoionization, and energy transfer processes is presented

Localized orbitals vs. pseudopotential-plane waves basis sets: performances and accuracy for molecular magnetic systems

CERN Document Server

Massobrio, C

2003-01-01

Density functional theory, in combination with a) a careful choice of the exchange-correlation part of the total energy and b) localized basis sets for the electronic orbital, has become the method of choice for calculating the exchange-couplings in magnetic molecular complexes. Orbital expansion on plane waves can be seen as an alternative basis set especially suited to allow optimization of newly synthesized materials of unknown geometries. However, little is known on the predictive power of this scheme to yield quantitative values for exchange coupling constants J as small as a few hundredths of eV (50-300 cm sup - sup 1). We have used density functional theory and a plane waves basis set to calculate the exchange couplings J of three homodinuclear Cu-based molecular complexes with experimental values ranging from +40 cm sup - sup 1 to -300 cm sup - sup 1. The plane waves basis set proves as accurate as the localized basis set, thereby suggesting that this approach can be reliably employed to predict and r...

Localized orbitals vs. pseudopotential-plane waves basis sets: performances and accuracy for molecular magnetic systems

International Nuclear Information System (INIS)

Massobrio, C.; Ruiz, E.

2003-01-01

Density functional theory, in combination with a) a careful choice of the exchange-correlation part of the total energy and b) localized basis sets for the electronic orbital, has become the method of choice for calculating the exchange-couplings in magnetic molecular complexes. Orbital expansion on plane waves can be seen as an alternative basis set especially suited to allow optimization of newly synthesized materials of unknown geometries. However, little is known on the predictive power of this scheme to yield quantitative values for exchange coupling constants J as small as a few hundredths of eV (50-300 cm -1 ). We have used density functional theory and a plane waves basis set to calculate the exchange couplings J of three homodinuclear Cu-based molecular complexes with experimental values ranging from +40 cm -1 to -300 cm -1 . The plane waves basis set proves as accurate as the localized basis set, thereby suggesting that this approach can be reliably employed to predict and rationalize the magnetic properties of molecular-based materials. (author)

Hand-held indirect calorimeter offers advantages compared with prediction equations, in a group of overweight women, to determine resting energy expenditures and estimated total energy expenditures during research screening.

Science.gov (United States)

Spears, Karen E; Kim, Hyunsook; Behall, Kay M; Conway, Joan M

2009-05-01

To compare standardized prediction equations to a hand-held indirect calorimeter in estimating resting energy and total energy requirements in overweight women. Resting energy expenditure (REE) was measured by hand-held indirect calorimeter and calculated by prediction equations Harris-Benedict, Mifflin-St Jeor, World Health Organization/Food and Agriculture Organization/United Nations University (WHO), and Dietary Reference Intakes (DRI). Physical activity level, assessed by questionnaire, was used to estimate total energy expenditure (TEE). Subjects (n=39) were female nonsmokers older than 25 years of age with body mass index more than 25. Repeated measures analysis of variance, Bland-Altman plot, and fitted regression line of difference. A difference within +/-10% of two methods indicated agreement. Significant proportional bias was present between hand-held indirect calorimeter and prediction equations for REE and TEE (Pvalues and underestimated at higher values. Mean differences (+/-standard error) for REE and TEE between hand-held indirect calorimeter and Harris-Benedict were -5.98+/-46.7 kcal/day (P=0.90) and 21.40+/-75.7 kcal/day (P=0.78); between hand-held indirect calorimeter and Mifflin-St Jeor were 69.93+/-46.7 kcal/day (P=0.14) and 116.44+/-75.9 kcal/day (P=0.13); between hand-held indirect calorimeter and WHO were -22.03+/-48.4 kcal/day (P=0.65) and -15.8+/-77.9 kcal/day (P=0.84); and between hand-held indirect calorimeter and DRI were 39.65+/-47.4 kcal/day (P=0.41) and 56.36+/-85.5 kcal/day (P=0.51). Less than 50% of predictive equation values were within +/-10% of hand-held indirect calorimeter values, indicating poor agreement. A significant discrepancy between predicted and measured energy expenditure was observed. Further evaluation of hand-held indirect calorimeter research screening is needed.

Beverage Consumption Habits and Association with Total Water and Energy Intakes in the Spanish Population: Findings of the ANIBES Study

Directory of Open Access Journals (Sweden)

Mariela Nissensohn

2016-04-01

Full Text Available Background: Inadequate hydration is a public health issue that imposes a significant economic burden. In Spain, data of total water intake (TWI are scarce. There is a clear need for a national study that quantifies water and beverage intakes and explores associations between the types of beverages and energy intakes. Methods: The Anthropometry, Intake and Energy Balance Study ANIBES is a national survey of diet and nutrition conducted among a representative sample of 2285 healthy participants aged 9–75 years in Spain. Food and beverage intakes were assessed in a food diary over three days. Day and time of beverage consumption were also recorded. Results: On average, TWI was 1.7 L (SE 21.2 for men and 1.6 L (SE 18.9 for women. More than 75% of participants had inadequate TWI, according to European Food Safety Authority (EFSA recommendations. Mean total energy intake (EI was 1810 kcal/day (SE 11.1, of which 12% was provided by beverages. Water was the most consumed beverage, followed by milk. The contribution of alcoholic drinks to the EI was near 3%. For caloric soft drinks, a relatively low contribution to the EI was obtained, only 2%. Of eight different types of beverages, the variety score was positively correlated with TWI (r = 0.39 and EI (r = 0.23, suggesting that beverage variety is an indicator of higher consumption of food and drinks. Conclusions: The present study demonstrates that well-conducted surveys such as the ANIBES study have the potential to yield rich contextual value data that can emphasize the need to undertake appropriate health and nutrition policies to increase the total water intake at the population level promoting a healthy Mediterranean hydration pattern.

Beverage Consumption Habits and Association with Total Water and Energy Intakes in the Spanish Population: Findings of the ANIBES Study

Science.gov (United States)

Nissensohn, Mariela; Sánchez-Villegas, Almudena; Ortega, Rosa M.; Aranceta-Bartrina, Javier; Gil, Ángel; González-Gross, Marcela; Varela-Moreiras, Gregorio; Serra-Majem, Lluis

2016-01-01

Background: Inadequate hydration is a public health issue that imposes a significant economic burden. In Spain, data of total water intake (TWI) are scarce. There is a clear need for a national study that quantifies water and beverage intakes and explores associations between the types of beverages and energy intakes. Methods: The Anthropometry, Intake and Energy Balance Study ANIBES is a national survey of diet and nutrition conducted among a representative sample of 2285 healthy participants aged 9–75 years in Spain. Food and beverage intakes were assessed in a food diary over three days. Day and time of beverage consumption were also recorded. Results: On average, TWI was 1.7 L (SE 21.2) for men and 1.6 L (SE 18.9) for women. More than 75% of participants had inadequate TWI, according to European Food Safety Authority (EFSA) recommendations. Mean total energy intake (EI) was 1810 kcal/day (SE 11.1), of which 12% was provided by beverages. Water was the most consumed beverage, followed by milk. The contribution of alcoholic drinks to the EI was near 3%. For caloric soft drinks, a relatively low contribution to the EI was obtained, only 2%. Of eight different types of beverages, the variety score was positively correlated with TWI (r = 0.39) and EI (r = 0.23), suggesting that beverage variety is an indicator of higher consumption of food and drinks. Conclusions: The present study demonstrates that well-conducted surveys such as the ANIBES study have the potential to yield rich contextual value data that can emphasize the need to undertake appropriate health and nutrition policies to increase the total water intake at the population level promoting a healthy Mediterranean hydration pattern. PMID:27104564

Light absorption during alkali atom-noble gas atom interactions at thermal energies: a quantum dynamics treatment.

Science.gov (United States)

Pacheco, Alexander B; Reyes, Andrés; Micha, David A

2006-10-21

The absorption of light during atomic collisions is treated by coupling electronic excitations, treated quantum mechanically, to the motion of the nuclei described within a short de Broglie wavelength approximation, using a density matrix approach. The time-dependent electric dipole of the system provides the intensity of light absorption in a treatment valid for transient phenomena, and the Fourier transform of time-dependent intensities gives absorption spectra that are very sensitive to details of the interaction potentials of excited diatomic states. We consider several sets of atomic expansion functions and atomic pseudopotentials, and introduce new parametrizations to provide light absorption spectra in good agreement with experimentally measured and ab initio calculated spectra. To this end, we describe the electronic excitation of the valence electron of excited alkali atoms in collisions with noble gas atoms with a procedure that combines l-dependent atomic pseudopotentials, including two- and three-body polarization terms, and a treatment of the dynamics based on the eikonal approximation of atomic motions and time-dependent molecular orbitals. We present results for the collision induced absorption spectra in the Li-He system at 720 K, which display both atomic and molecular transition intensities.

Neutron total, scattering and inelastic gamma-ray cross sections of yttrium at few MeV energies

International Nuclear Information System (INIS)

Budtz-Joergensen, C.; Guenther, P.; Smith, A.; Whalen, J.; McMurray, W.R.; Renan, M.J.; Heerden, I.J. van

1984-01-01

Neutron total, scattering and (n; n', γ) cross sections of elemental yttrium ( 89 Y) were measured in the few-MeV region. The neutron total-cross-section measurements were made with broad resolutions from approx.=0.5 to 4.2 MeV in steps of < or approx.0.1 MeV. Neutron elastic- and inelastic-scattering cross sections were measured from approx.=1.5 to 4.0 MeV, at incident-neutron energy intervals of approx.=50 keV and at ten or more scattering angles distributed between 20 and 160 degrees using neutron detection. Inelastic-scattering cross sections were also determined using the (n; n', γ) reaction at incident energies from 1.6 to 3.8 MeV at intervals of 0.1 MeV. Gamma-rays and/or inelastically-scattered neutrons were observed corresponding to the excitation of levels at: 909.0+-0.5, 1,507.4+-0.3, 1,744.5+-0.3, 2,222.6+-0.5, 2,530+-0.8, 2,566.4+-1.0, 2,622.5+-1.0, 2,871.9+-1.5, 2,880.6+-2.0, 3,067.0+-2.0, 3,107.0+-2.0, 3,140.0+-2.0, 3,410.0+-2.0, 3,450.0+-2.0, 3,504.0+-1.5, 3,514.0+-2.0, 3,556.0+-2.0, 3,619.0+-3.0, 3,629.0+-3.0 and 3,715.0+-3.0 keV. The experimental results are discussed in terms of the spherical-optical-statistical, coupled-channels, and core-coupling models, and in the context of previously reported excited-level structure. (orig.)

Total neutron cross sections at energies around 20 MeV

International Nuclear Information System (INIS)

Morales, J.R.; Romero, J.L.; Martens, P.

1990-09-01

The results for measurements of total cross sections on C, Al, Mg, Cu, Ge and Pb at 17.6 and 19.8 MeV are reported. A detailed comparison is presented with previous data and with the global optical model by the Ohio group. We also discuss plans for total non elastic cross section measurements. 31 refs, 12 figs, 2 tabs

Configurational forces in electronic structure calculations using Kohn-Sham density functional theory

Science.gov (United States)

Motamarri, Phani; Gavini, Vikram

2018-04-01

We derive the expressions for configurational forces in Kohn-Sham density functional theory, which correspond to the generalized variational force computed as the derivative of the Kohn-Sham energy functional with respect to the position of a material point x . These configurational forces that result from the inner variations of the Kohn-Sham energy functional provide a unified framework to compute atomic forces as well as stress tensor for geometry optimization. Importantly, owing to the variational nature of the formulation, these configurational forces inherently account for the Pulay corrections. The formulation presented in this work treats both pseudopotential and all-electron calculations in a single framework, and employs a local variational real-space formulation of Kohn-Sham density functional theory (DFT) expressed in terms of the nonorthogonal wave functions that is amenable to reduced-order scaling techniques. We demonstrate the accuracy and performance of the proposed configurational force approach on benchmark all-electron and pseudopotential calculations conducted using higher-order finite-element discretization. To this end, we examine the rates of convergence of the finite-element discretization in the computed forces and stresses for various materials systems, and, further, verify the accuracy from finite differencing the energy. Wherever applicable, we also compare the forces and stresses with those obtained from Kohn-Sham DFT calculations employing plane-wave basis (pseudopotential calculations) and Gaussian basis (all-electron calculations). Finally, we verify the accuracy of the forces on large materials systems involving a metallic aluminum nanocluster containing 666 atoms and an alkane chain containing 902 atoms, where the Kohn-Sham electronic ground state is computed using a reduced-order scaling subspace projection technique [P. Motamarri and V. Gavini, Phys. Rev. B 90, 115127 (2014), 10.1103/PhysRevB.90.115127].

Calculation of inelastic cross-sections for: H++Cs→H(n=2)+Cs+

International Nuclear Information System (INIS)

Valance, A.; Spiess, G.

1975-01-01

The cross sections for the processes H + + Cs→H(2p and 2s) + Cs + were calculated in the center of mass energy range 250-2400eV using a pseudo-potential formalism for the potential curves and coupling matrix elements and a perturbated stationary state formulation for the calculation of the cross sections [fr

Fermented dairy products consumption is associated with attenuated cortical bone loss independently of total calcium, protein, and energy intakes in healthy postmenopausal women.

Science.gov (United States)

Biver, E; Durosier-Izart, C; Merminod, F; Chevalley, T; van Rietbergen, B; Ferrari, S L; Rizzoli, R

2018-05-03

A longitudinal analysis of bone microstructure in postmenopausal women of the Geneva Retirees Cohort indicates that age-related cortical bone loss is attenuated at non-bearing bone sites in fermented dairy products consumers, not in milk or ripened cheese consumers, independently of total energy, calcium, or protein intakes. Fermented dairy products (FDP), including yogurts, provide calcium, phosphorus, and proteins together with prebiotics and probiotics, all being potentially beneficial for bone. In this prospective cohort study, we investigated whether FDP, milk, or ripened cheese consumptions influence age-related changes of bone mineral density (BMD) and microstructure. Dietary intakes were assessed at baseline and after 3.0 ± 0.5 years with a food frequency questionnaire in 482 postmenopausal women enrolled in the Geneva Retirees Cohort. Cortical (Ct) and trabecular (Tb) volumetric (v) BMD and microstructure at the distal radius and tibia were assessed by high-resolution peripheral quantitative computerized tomography, in addition to areal (a) BMD and body composition by dual-energy X-ray absorptiometry, at the same time points. At baseline, FDP consumers had lower abdominal fat mass and larger bone size at the radius and tibia. Parathyroid hormone and β-carboxyterminal cross-linked telopeptide of type I collagen levels were inversely correlated with FDP consumption. In the longitudinal analysis, FDP consumption (mean of the two assessments) was associated with attenuated loss of radius total vBMD and of Ct vBMD, area, and thickness. There was no difference in aBMD and at the tibia. These associations were independent of total energy, calcium, or protein intakes. For other dairy products categories, only milk consumption was associated with lower decrease of aBMD and of failure load at the radius. In this prospective cohort of healthy postmenopausal women, age-related Ct bone loss was attenuated at non-bearing bone sites in FDP consumers, not in milk

Influence of collective nonideal shielding on fusion reaction in partially ionized classical nonideal plasmas

Science.gov (United States)

Lee, Myoung-Jae; Jung, Young-Dae

2017-04-01

The collective nonideal effects on the nuclear fusion reaction process are investigated in partially ionized classical nonideal hydrogen plasmas. The effective pseudopotential model taking into account the collective and plasma shielding effects is applied to describe the interaction potential in nonideal plasmas. The analytic expressions of the Sommerfeld parameter, the fusion penetration factor, and the cross section for the nuclear fusion reaction in nonideal plasmas are obtained as functions of the nonideality parameter, Debye length, and relative kinetic energy. It is found that the Sommerfeld parameter is suppressed due to the influence of collective nonideal shielding. However, the collective nonideal shielding is found to enhance the fusion penetration factor in partially ionized classical nonideal plasmas. It is also found that the fusion penetration factors in nonideal plasmas represented by the pseudopotential model are always greater than those in ideal plasmas represented by the Debye-Hückel model. In addition, it is shown that the collective nonideal shielding effect on the fusion penetration factor decreases with an increase of the kinetic energy.

The thermodynamic approach to boron chemical vapour deposition based on a computer minimization of the total Gibbs free energy

International Nuclear Information System (INIS)

Naslain, R.; Thebault, J.; Hagenmuller, P.; Bernard, C.

1979-01-01

A thermodynamic approach based on the minimization of the total Gibbs free energy of the system is used to study the chemical vapour deposition (CVD) of boron from BCl 3 -H 2 or BBr 3 -H 2 mixtures on various types of substrates (at 1000 < T< 1900 K and 1 atm). In this approach it is assumed that states close to equilibrium are reached in the boron CVD apparatus. (Auth.)

Beverage consumption habits “24/7” among British adults: association with total water intake and energy intake

Science.gov (United States)

2013-01-01

Background Various recommendations exist for total water intake (TWI), yet it is seldom reported in dietary surveys. Few studies have examined how real-life consumption patterns, including beverage type, variety and timing relate to TWI and energy intake (EI). Methods We analysed weighed dietary records from the National Diet and Nutrition Survey of 1724 British adults aged 19–64 years (2000/2001) to investigate beverage consumption patterns over 24 hrs and 7 days and associations with TWI and EI. TWI was calculated from the nutrient composition of each item of food and drink and compared with reference values. Results Mean TWI was 2.53 L (SD 0.86) for men and 2.03 L (SD 0.71) for women, close to the European Food Safety Authority “adequate Intake” (AI) of 2.5 L and 2 L, respectively. However, for 33% of men and 23% of women TWI was below AI and TWI:EI ratio was Beverages accounted for 75% of TWI. Beverage variety was correlated with TWI (r 0.34) and more weakly with EI (r 0.16). Beverage consumption peaked at 0800 hrs (mainly hot beverages/ milk) and 2100 hrs (mainly alcohol). Total beverage consumption was higher at weekends, especially among men. Overall, beverages supplied 16% of EI (men 17%, women 14%), alcoholic drinks contributed 9% (men) and 5% (women), milk 5-6%, caloric soft drinks 2%, and fruit juice 1%. In multi-variable regression (adjusted for sex, age, body weight, smoking, dieting, activity level and mis-reporting), replacing 100 g of caloric beverages (milk, fruit juice, caloric soft drinks and alcohol) with 100 g non-caloric drinks (diet soft drinks, hot beverages and water) was associated with a reduction in EI of 15 kcal, or 34 kcal if food energy were unchanged. Using within-person data (deviations from 7-day mean) each 100 g change in caloric beverages was associated with 29 kcal change in EI or 35 kcal if food energy were constant. By comparison the calculated energy content of caloric drinks consumed was

Energy in Croatia 2007, Annual Energy Report

International Nuclear Information System (INIS)

2008-01-01

With a great deal of pleasure we present the sixteenth edition of the review Energy in Croatia. With this Review the Ministry of Economy, Labor and Entrepreneurship continues the practice of informing domestic and foreign public on relations and trends within the Croatian energy sector. This Review gives data and characteristic values relevant to the Croatian energy sector, providing an overview on energy production and consumption at all levels. There is a detailed analysis of the trends present in the energy sector as well as a number of information on capacities, reserves, prices and energy balances for crude oil, all petroleum products, natural gas, electricity, heat energy, coal and renewable energy sources. The Review also brings the main economic and financial indicators, data on air pollutant emissions and main energy efficiency indicators. It also gives the ODEX energy efficiency index, which is determined according to the methodology used in the European Union. This indicator monitors the energy efficiency trends over a period of time in the sectors of industry, transport, households and in total consumption. Finally, the Review brings the energy balances of the Republic of Croatia for the years 2006 and 2007, made following the EUROSTAT and IEA methodologies. Total annual energy consumption in Croatia in 2007 increased by 1.5 percent from the previous year. At the same time gross domestic product increased by 5.6 percent, which resulted in a continuing energy intensity reduction, by 3.8 percent. In relation the European Union (EU 27), energy intensity in Croatia was 16.5 percent above the European average. In 2007 the Croatian production of primary energy decreased by 6.4 percent. The production decrease was recorded in most of primary energy forms. The only energy forms with growing production in 2007 were natural gas production and energy from renewable sources. Due to unfavorable hydrology in 2007, hydro power utilization decreased by 27.4 percent

Evaluation of the 238U neutron total cross section

International Nuclear Information System (INIS)

Smith, A.; Poenitz, W.P.; Howerton, R.J.

1982-12-01

Experimental energy-averaged neutron total cross sections of 238 U were evaluated from 0.044 to 20.0 MeV using regorous numerical methods. The evaluated results are presented together with the associated uncertainties and correlation matrix. They indicate that this energy-averaged neutron total cross section is known to better than 1% over wide energy regions. There are somwewhat larger uncertainties at low energies (e.g., less than or equal to 0.2 MeV), near 8 MeV and above 15 MeV. The present evaluation is compard with values given in ENDF/B-V

Total Water Intake from Beverages and Foods Is Associated with Energy Intake and Eating Behaviors in Korean Adults

OpenAIRE

Lee, Kyung Won; Shin, Dayeon; Song, Won O.

2016-01-01

Water is essential for the proper functioning of the body. Even though a recommendation exists for adequate water intake for Koreans, studies identifying actual water intake from all beverages and foods consumed daily in the Korean population are limited. Thus, we estimated total water intake from both beverages and foods and its association with energy intake and eating behaviors in Korean adults. We used a nationally representative sample of 25,122 Korean adults aged ≥19 years, from the Kor...

Energy in Croatia 2011, Annual Energy Report

International Nuclear Information System (INIS)

2012-01-01

With the twentieth edition of the Review Energy in Croatia, Ministry of Economy, Labour and Entrepreneurship continues the practice of informing domestic and foreign public on relations and trends within the Croatian energy sector. This Review gives, in a recognizable and comprehensible way, data and characteristic values relevant to the Croatian energy sector, providing an overview on energy production and consumption at all levels. There is a detailed analysis of the trends present in the energy sector as well as a number of information on capacities, reserves, prices and energy balances for crude oil, all petroleum products, natural gas, electricity, heat energy, coal and renewable energy sources. The Review also brings the main economic and financial indicators, data on air pollutant emissions and main energy efficiancy indicators. It also gives the ODEX energy efficiency index, which is determined according to the methodology used in the European Union. This indicator monitors the energy efficiancy trends over a period of time in the sectors of industry, transport, households and in total consumption. Finally, the Review brings the energy balances of the Republic of Croatia for the years 2010 and 2011, made following the EUROSTAT and IEA methodologies. In 2011 total primary energy supply in Croatia was 6.8 percent lower than the year before. At the same time, gross domestic product slightly decreased by 0.01 percent, which resulted in lowering energy intensity of total energy consumption by a 6.8 percent. When compared to the average energy intensity level in the EU (EU27), the energy intensity in Croatia was only 1.2 percent higher. The primary energy production in 2011 decreased by 18 percent from the previous year. Also, due to unfavorable hydrological situation the hydropower utilization was as much as 46.6 percent lower than in 2010. The energy from renewable sources increased by 13.3 percent and the energy from fuel wood, ondustrial waste wood, energy

Total energy analysis of nuclear and fossil fueled power plants

International Nuclear Information System (INIS)

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

1971-01-01

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

Energy load in low energy residences. An analysis of the total energy use in 5 versions of a Norwegian residence; Energibelastninger ved lavenergiboliger. En analyse av totalenergiforbruket i 5 versjoner av en norsk bolig

Energy Technology Data Exchange (ETDEWEB)

Winther, Beate Nemeth

1997-12-31

advanced solar energy residence and a house with more traditional solar energy use have in total a lower energy consumption when both energy content and energy consumption for operation are considered than in a traditionally built house of the same type. Generally most of the buildings both use solar energy and energy conservation measures combined with materials with low energy content. 41 refs., 186 tabs., 42 figs., 5 ills.

Positron interactions with water–total elastic, total inelastic, and elastic differential cross section measurements

International Nuclear Information System (INIS)

Tattersall, Wade; Chiari, Luca; Machacek, J. R.; Anderson, Emma; Sullivan, James P.; White, Ron D.; Brunger, M. J.; Buckman, Stephen J.; Garcia, Gustavo; Blanco, Francisco

2014-01-01

Utilising a high-resolution, trap-based positron beam, we have measured both elastic and inelastic scattering of positrons from water vapour. The measurements comprise differential elastic, total elastic, and total inelastic (not including positronium formation) absolute cross sections. The energy range investigated is from 1 eV to 60 eV. Comparison with theory is made with both R-Matrix and distorted wave calculations, and with our own application of the Independent Atom Model for positron interactions

Calculated Electronic Behavior and Spectrum of Mg+@C60 Using a Simple Jellium-shell Model

Directory of Open Access Journals (Sweden)

H. A. Schuessler

2004-11-01

Full Text Available Abstract: We present a method for calculating the energy levels and wave functions of any atom or ion with a single valence electron encapsulated in a Fullerene cage using a jelluim-shell model. The valence electron-core interaction is represented by a one-body pseudo-potential obtained through density functional theory with strikingly accurate parameters for Mg+ and which reduces to a purely Coulombic interaction in the case of H. We find that most energy states are affected little by encapsulation. However, when either the electron in the non-encapsulated species has a high probability of being near the jellium cage, or when the cage induces a maximum electron probability density within it, the energy levels shift considerably. Mg+ shows behavior similar to that of H, but since its wave functions are broader, the changes in its energy levels from encapsulation are slightly more pronounced. Agreement with other computational work as well as experiment is excellent and the method presented here is generalizable to any encapsulated species where a one-body electronic pseudo-potential for the free atom (or ion is available. Results are also presented for off-center hydrogen, where a ground state energy minimum of -14.01 eV is found at a nuclear displacement of around 0.1 Å.

Low energy total cross section of 36Ar

International Nuclear Information System (INIS)

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

1975-01-01

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

Asymptotic behaviour of pion-pion total cross-sections

Energy Technology Data Exchange (ETDEWEB)

Greynat, David [Dipartimento di Scienze Fisiche, Universita di Napoli “Federico II”,Via Cintia, 80126 Napoli (Italy); Rafael, Eduardo de [Aix-Marseille Université, CNRS,CPT, UMR 7332, 13288 Marseille (France); Université de Toulon, CNRS,CPT, UMR 7332, 83957 La Garde (France); Vulvert, Grégory [Departament de Física Teórica, IFIC,CSIC - Universitat de València, Apt. Correus 22085, E-46071 València (Spain)

2014-03-24

We derive a sum rule which shows that the Froissart-Martin bound for the asymptotic behaviour of the ππ total cross sections at high energies, if modulated by the Lukaszuk-Martin coefficient of the leading log{sup 2} s behaviour, cannot be an optimal bound in QCD. We next compute the total cross sections for π{sup +}π{sup −}, π{sup ±}π{sup 0} and π{sup 0}π{sup 0} scattering within the framework of the constituent chiral quark model (CχQM) in the limit of a large number of colours N{sub c} and discuss their asymptotic behaviours. The same ππ cross sections are also discussed within the general framework of Large-N{sub c} QCD and we show that it is possible to make an Ansatz for the isospin I=1 and I=0 spectrum which satisfy the Froissart-Martin bound with coefficients which, contrary to the Lukaszuk-Martin coefficient, are not singular in the chiral limit and have the correct Large-N{sub c} counting. We finally propose a simple phenomenological model which matches the low energy behaviours of the σ{sub π{sup ±}π{sup 0total}}(s) cross section predicted by the CχQM with the high energy behaviour predicted by the Large-N{sub c} Ansatz. The magnitude of these cross sections at very high energies is of the order of those observed for the pp and pp-bar scattering total cross sections.

Total Energy Expenditure by the doubly labelled water method in rural pre-school children in Cuba

International Nuclear Information System (INIS)

Hernandez-Triana, M.H.; Gonzalez-Calderin, S.; Sanchez, V.; Basabe-Tuero, B.; Salazar, G.; Diaz, E.

2002-01-01

Aim: Total Energy Expenditure (TEE) was measured by the doubly labelled water method in nineteen 5 y old children of a rural mountain community in Cuba. Materials and Methods. Ten males and nine females (18.4 and 18.5 kg average weight) with mean BMI values of 16.3 and 16.1 kg/m2 were included in the study. RMR was previously measured in year 2000 by indirect calorimetry in a sample of 11 children and values correlated properly with the estimations using the proposed equations of Henry and Rees. This estimate was used then for the whole group. Energy intake measured by 3-day weighed dietary record was 3.73 MJ/day. Tee was measured by the doubly labelled water method. Results: TEE values of well nourished children were 7.15 and 5.77 MJ/d for boys and girls, respectively. These findings imply that well nourished boys and girls are having a moderate to heavy physical activity requiring 93 and 75 kcal/kg per day. Physical activity of normal Cuban boys and girls living in rural areas was 1.88 and 1.59 METS, which is much higher than those values reported for children from developed countries using DLW. Energy intake was 1639 ± 381 in boys and 1230 ± 355 kcal/d in girls. Conclusions: TEE and physical activity level of rural Cuban children was higher than reported values of children living in developed countries

Calculations of H+ + Cs→H(2s or 2p) + Cs+ reaction cross sections

International Nuclear Information System (INIS)

Valance, A.; Spiess, G.

1975-01-01

The H(2s) and H(2p) atom production cross-sections are calculated and compared with experimental results in the incident proton energy range 250-2400eV. The calculation method used involves a perturbation of the stationary molecular states, these adiabatic potentials being obtained from a pseudo-potential describing the core of cesium [fr

A Gaussian quadrature method for total energy analysis in electronic state calculations

Science.gov (United States)

Fukushima, Kimichika

This article reports studies by Fukushima and coworkers since 1980 concerning their highly accurate numerical integral method using Gaussian quadratures to evaluate the total energy in electronic state calculations. Gauss-Legendre and Gauss-Laguerre quadratures were used for integrals in the finite and infinite regions, respectively. Our previous article showed that, for diatomic molecules such as CO and FeO, elliptic coordinates efficiently achieved high numerical integral accuracy even with a numerical basis set including transition metal atomic orbitals. This article will generalize straightforward details for multiatomic systems with direct integrals in each decomposed elliptic coordinate determined from the nuclear positions of picked-up atom pairs. Sample calculations were performed for the molecules O3 and H2O. This article will also try to present, in another coordinate, a numerical integral by partially using the Becke's decomposition published in 1988, but without the Becke's fuzzy cell generated by the polynomials of internuclear distance between the pair atoms. Instead, simple nuclear weights comprising exponential functions around nuclei are used. The one-center integral is performed with a Gaussian quadrature pack in a spherical coordinate, included in the author's original program in around 1980. As for this decomposition into one-center integrals, sample calculations are carried out for Li2.

Association of total energy intake and macronutrient consumption with colorectal cancer risk: results from a large population-based case-control study in Newfoundland and Labrador and Ontario, Canada.

Science.gov (United States)

Sun, Zhuoyu; Liu, Lin; Wang, Peizhong Peter; Roebothan, Barbara; Zhao, Jin; Dicks, Elizabeth; Cotterchio, Michelle; Buehler, Sharon; Campbell, Peter T; McLaughlin, John R; Parfrey, Patrick S

2012-03-26

Diet is regarded as one of the most important environmental factors associated with colorectal cancer (CRC) risk. A recent report comprehensively concluded that total energy intake does not have a simple relationship with CRC risk, and that the data were inconsistent for carbohydrate, cholesterol and protein. The objective of this study was to identify the associations of CRC risk with dietary intakes of total energy, protein, fat, carbohydrate, fiber, and alcohol using data from a large case-control study conducted in Newfoundland and Labrador (NL) and Ontario (ON), Canada. Incident colorectal cancer cases (n = 1760) were identified from population-based cancer registries in the provinces of ON (1997-2000) and NL (1999-2003). Controls (n = 2481) were a random sample of residents in each province, aged 20-74 years. Family history questionnaire (FHQ), personal history questionnaire (PHQ), and food frequency questionnaire (FFQ) were used to collect study data. Logistic regression was used to evaluate the association of intakes of total energy, macronutrients and alcohol with CRC risk. Total energy intake was associated with higher risk of CRC (OR: 1.56; 95% CI: 1.21-2.01, p-trend = 0.02, 5th versus 1st quintile), whereas inverse associations emerged for intakes of protein (OR: 0.85, 95%CI: 0.69-1.00, p-trend = 0.06, 5th versus 1st quintile), carbohydrate (OR: 0.81, 95%CI: 0.63-1.00, p-trend = 0.05, 5th versus 1st quintile) and total dietary fiber (OR: 0.84, 95% CI:0.67-0.99, p-trend = 0.04, 5th versus 1st quintile). Total fat, alcohol, saturated fatty acids, monounsaturated fatty acids, polyunsaturated fatty acids, and cholesterol were not associated with CRC risk. This study provides further evidence that high energy intake may increase risk of incident CRC, whereas diets high in protein, fiber, and carbohydrate may reduce the risk of the disease.

Association of total energy intake and macronutrient consumption with colorectal cancer risk: results from a large population-based case-control study in Newfoundland and Labrador and Ontario, Canada

Directory of Open Access Journals (Sweden)

Sun Zhuoyu

2012-03-01

Full Text Available Abstract Background Diet is regarded as one of the most important environmental factors associated with colorectal cancer (CRC risk. A recent report comprehensively concluded that total energy intake does not have a simple relationship with CRC risk, and that the data were inconsistent for carbohydrate, cholesterol and protein. The objective of this study was to identify the associations of CRC risk with dietary intakes of total energy, protein, fat, carbohydrate, fiber, and alcohol using data from a large case-control study conducted in Newfoundland and Labrador (NL and Ontario (ON, Canada. Methods Incident colorectal cancer cases (n = 1760 were identified from population-based cancer registries in the provinces of ON (1997-2000 and NL (1999-2003. Controls (n = 2481 were a random sample of residents in each province, aged 20-74 years. Family history questionnaire (FHQ, personal history questionnaire (PHQ, and food frequency questionnaire (FFQ were used to collect study data. Logistic regression was used to evaluate the association of intakes of total energy, macronutrients and alcohol with CRC risk. Results Total energy intake was associated with higher risk of CRC (OR: 1.56; 95% CI: 1.21-2.01, p-trend = 0.02, 5th versus 1st quintile, whereas inverse associations emerged for intakes of protein (OR: 0.85, 95%CI: 0.69-1.00, p-trend = 0.06, 5th versus 1st quintile, carbohydrate (OR: 0.81, 95%CI: 0.63-1.00, p-trend = 0.05, 5th versus 1st quintile and total dietary fiber (OR: 0.84, 95% CI:0.67-0.99, p-trend = 0.04, 5th versus 1st quintile. Total fat, alcohol, saturated fatty acids, monounsaturated fatty acids, polyunsaturated fatty acids, and cholesterol were not associated with CRC risk. Conclusion This study provides further evidence that high energy intake may increase risk of incident CRC, whereas diets high in protein, fiber, and carbohydrate may reduce the risk of the disease.

Monthly energy review, May 1995

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-05-24

Energy production during Feb 95 totaled 5.4 quadrillion Btu (Q), 3.1% over Feb 94. Energy consumption totaled 7.4 Q, 0.7% below Feb 94. Net imports of energy totaled 1.3 Q, 5.6% below Feb 94. This publication is divided into energy overview, energy consumption, petroleum, natural gas, oil and gas resource development, coal, electricity, nuclear energy, energy prices, and international energy.

Energy in Croatia 2004, Annual Energy Report

International Nuclear Information System (INIS)

2005-11-01

Report represents a continuous information source for both national and international public on relations and trends in the Croatian energy system. This edition brings certain changes in the energy topics' outline and broader scope of information compared to the previous editions. However, the representative features of the Croatian energy sector, related to supply and demand of energy at all levels, kept the familiar outlook of presentation.Besides the detailed analysis of energy trends, this edition provides numerous information on capacity, reserves and prices of energy as well as individual energy sources' balances - crude oil and oil derivates, natural gas, electricity, heat, coal and renewable energy sources. In addition, Croatian basic and economic and financial indicators, emission of air pollutants plus basic energy efficiency indicators were presented in order to give better understanding of the Croatian energy sector environment. Finally, there is a special novelty of representing energy balances of the Republic of Croatia made in the compliance with EUROSTAT and IEA methodology for years 2003 and 2004. Total primary energy supply in the Republic of Croatia in 2004 was 4.1 percent higher compared to the previous year. The gross domestic product increased by 3.8 percent over the same period. This means that energy intensity, primary energy supply per unit of gross domestic product, increased by 0.3 percent. Compared to the European Union average Croatian energy intensity was approximately 24 percent higher. Total primary energy production, on the other hand, increased by 11.2 percent due to extremely favourable hydrological conditions. The raise i n hydropower by 48.5 percent improved Croatian primary energy self-supply to 49.6 percent. In the structure of total primary energy supply for 2004, the losses of transmission and distribution of energy were reduced only while the rest of the categories of energy consumption increased. The 3.3 percent increase

Origin of d{sup 0} half-metallic characteristic in DO{sub 3}-type XO{sub 3} (X=Li, Na, K and Rb) compounds

Energy Technology Data Exchange (ETDEWEB)

Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting and Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting and Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Wang, Jianli [Institute for Superconducting and Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Yang, Juntao [School of Science, Hubei University of Automotive Technology, Shiyan Hubei 442002 (China); Yu, Zheyin [Institute for Superconducting and Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

2016-08-15

Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, magnetic properties of newly designed DO{sub 3}-type XO{sub 3} (X=Li, Na, K and Rb) compounds. Result shows they are d{sup 0} HM ferromagnets with total magnetic moment of 5.00 μ{sub B}. Importantly, the d{sup 0} HM characteristic is originated from the polarization of the p-orbitals of O atoms in these hypothetical compounds. The structure stability in the aspects of cohesion energy and formation energy of these four compounds have been tested. The spin-flip gaps of the four XO{sub 3} compounds are quite large (>1.00 eV). Furthermore, the d{sup 0} HM behavior can be maintained in a wide range of lattice constants. - Highlights: • In an attempt to combine the properties of DO{sub 3}-type and d{sup 0} HMFs, XO{sub 3} have been designed. • The electronic structures and magnetism of the XO{sub 3} have been studied. • The effect of uniform strain on the spin polarization ratio have been tested. • The origin of the d{sup 0} HM character have been explained. • Total energy calculation and structure stability have been performed.

K-shell photoionizations in classical nonideal plasmas

International Nuclear Information System (INIS)

Jung, Young-Dae

2001-01-01

Collective and plasma screening effects on photoionization cross sections from the 1s state of hydrogenic ions in classical nonideal plasmas are investigated. An effective pseudopotential model taking into account the collective and plasma screening effects is applied to describe the interaction potential in nonideal plasmas. The screened atomic wave function and energy eigenvalue for the ground state of the hydrogenic ion in classical nonideal plasmas are obtained by the Ritz variational method. The photoionization cross section is obtained by the acceleration form of the transition matrix element in order to investigate the collective and plasma screening effects on the interaction potential. The retardation and Coulomb correction effects are also considered in nonideal plasmas. The total correlation effect is obtained as a function of the nonideality plasma parameter, Debye length, and incident photon energy. The result shows that the collective effect significantly reduces the photoionization cross section. It is also found that the collective effect on the photoionization cross section is increased with increasing the incident photon energy

Trends in elasticity and electronic structure of 5d transition metal diborides: first-principles calculations

International Nuclear Information System (INIS)

Hao Xianfeng; Wu Zhijian; Xu Yuanhui; Zhou Defeng; Liu Xiaojuan; Meng Jian

2007-01-01

We investigate the cohesive energy, heat of formation, elastic constant and electronic band structure of transition metal diborides TMB 2 (TM = Hf, Ta, W, Re, Os and Ir, Pt) in the Pmmn space group using the ab initio pseudopotential total energy method. Our calculations indicate that there is a relationship between elastic constant and valence electron concentration (VEC): the bulk modulus and shear modulus achieve their maximum when the VEC is in the range of 6.8-7.2. In addition, trends in the elastic constant are well explained in terms of electronic band structure analysis, e.g., occupation of valence electrons in states near the Fermi level, which determines the cohesive energy and elastic properties. The maximum in bulk modulus and shear modulus is attributed to the nearly complete filling of TM d-B p bonding states without filling the antibonding states. On the basis of the observed relationship, we predict that alloying W and Re in the orthorhombic structure OsB 2 might be harder than alloying the Ir element. Indeed, the further calculations confirmed this expectation

Trends in elasticity and electronic structure of 5d transition metal diborides: first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Hao Xianfeng [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Wu Zhijian [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Xu Yuanhui [School of Biological Engineering, Changchun University of Technology, Changchun 130012 (China); Zhou Defeng [School of Biological Engineering, Changchun University of Technology, Changchun 130012 (China); Liu Xiaojuan [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2007-05-16

We investigate the cohesive energy, heat of formation, elastic constant and electronic band structure of transition metal diborides TMB{sub 2} (TM = Hf, Ta, W, Re, Os and Ir, Pt) in the Pmmn space group using the ab initio pseudopotential total energy method. Our calculations indicate that there is a relationship between elastic constant and valence electron concentration (VEC): the bulk modulus and shear modulus achieve their maximum when the VEC is in the range of 6.8-7.2. In addition, trends in the elastic constant are well explained in terms of electronic band structure analysis, e.g., occupation of valence electrons in states near the Fermi level, which determines the cohesive energy and elastic properties. The maximum in bulk modulus and shear modulus is attributed to the nearly complete filling of TM d-B p bonding states without filling the antibonding states. On the basis of the observed relationship, we predict that alloying W and Re in the orthorhombic structure OsB{sub 2} might be harder than alloying the Ir element. Indeed, the further calculations confirmed this expectation.

Lattice Dynamics of Beryllium from a First-Principles Nonlocal Pseudopotential Approach

DEFF Research Database (Denmark)

Walter, F. King; Cutler, P. H.

1970-01-01

dielectric-screening function employing the Kohn-Sham approximation for exchange among the conduction electrons. The energy-wave-number characteristic F(q) is constructed from the Hartree-Fock-Slater (HFS) wave function for Be++; this is used to calculate the phonon dispersion relations in the [0001], [011̅...

Solar total energy-large scale experiment, Shenandoah, Georgia site. Annual report, June 1977--June 1978. [For Bleyle Knitwear Plant

Energy Technology Data Exchange (ETDEWEB)

None,

1978-06-01

The site was described in terms of location, suitably, accessibility, and other factors. Detailed descriptions of the Solar Total Energy-Large Scale Experiment Application (STE-LSE) (Bleyle of America, Inc., Knitwear Plant), the DOE owned Meteorology Station operating at the site, and the instrumentation provided by the Georgia Power Company to measure energy usage within the knitwear plant are included. A detailed report of progress is given at the Shenandoah Site, introduced by the STE-LSE schedule and the Cooperative Agreement work tasks. Progress is described in terms of the following major task areas: site/application; instrumentation/data acquisition; meteorology station; site to STES interface; information dissemination. A brief overview of milestones to be accomplished is given, followed by these appendices: solar easement agreement, interface drawing set, and additional site background data. (MHR)

Market analysis Fukushima. Renewable energy, energy efficiency and energy conservation in Fukushima prefecture

International Nuclear Information System (INIS)

2015-01-01

The use of renewable energy has experienced in Fukushima Prefecture in the years after the reactor accident in March 2011, a substantial upswing. In total 500 MW of renewable energy capacity have been installed. According to the plans of the prefecture this capacity should be increased in 2020 to a total of just over 8 gigawatts. As in the rest of the country parts also, the solar energy was primarily used; this accounted 295 MW alone. In future, the priorities but more are in the areas of wind energy and hydropower. [de

Total Absorption Spectroscopy

International Nuclear Information System (INIS)

Rubio, B.; Gelletly, W.

2007-01-01

The problem of determining the distribution of beta decay strength (B(GT)) as a function of excitation energy in the daughter nucleus is discussed. Total Absorption Spectroscopy is shown to provide a way of determining the B(GT) precisely. A brief history of such measurements and a discussion of the advantages and disadvantages of this technique, is followed by examples of two recent studies using the technique. (authors)

FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2,6-diphenylpiperidin-4-one: DFT method.

Science.gov (United States)

Subashchandrabose, S; Saleem, H; Erdogdu, Y; Rajarajan, G; Thanikachalam, V

2011-11-01

FT-Raman and FT-IR spectra were recorded for 3-pentyl-2,6-diphenylpiperidin-4-one (PDPO) sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, infrared and the Raman scattering intensities were computed using DFT/6-31G(d,p) level. Results obtained at this level of theory were used for a detailed interpretation of the infrared and Raman spectra, based on the total energy distribution (TED) of the normal modes. Molecular parameters such as bond lengths, bond angles and dihedral angles were calculated and compared with X-ray diffraction data. This comparison was good agreement. The intra-molecular charge transfer was calculated by means of natural bond orbital analysis (NBO). Hyperconjugative interaction energy was more during the π-π* transition. Energy gap of the molecule was found using HOMO and LUMO calculation, hence the less band gap, which seems to be more stable. Atomic charges of the carbon, nitrogen and oxygen were calculated using same level of calculation. Copyright © 2011 Elsevier B.V. All rights reserved.

Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

Science.gov (United States)

Hill, J. Grant; Peterson, Kirk A.

2017-12-01

New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

Science.gov (United States)

Hill, J Grant; Peterson, Kirk A

2017-12-28

New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

Phenotypic Stability of Energy Balance Responses to Experimental Total Sleep Deprivation and Sleep Restriction in Healthy Adults.

Science.gov (United States)

Dennis, Laura E; Spaeth, Andrea M; Goel, Namni

2016-12-19

Experimental studies have shown that sleep restriction (SR) and total sleep deprivation (TSD) produce increased caloric intake, greater fat consumption, and increased late-night eating. However, whether individuals show similar energy intake responses to both SR and TSD remains unknown. A total of N = 66 healthy adults (aged 21-50 years, 48.5% women, 72.7% African American) participated in a within-subjects laboratory protocol to compare daily and late-night intake between one night of SR (4 h time in bed, 04:00-08:00) and one night of TSD (0 h time in bed) conditions. We also examined intake responses during subsequent recovery from SR or TSD and investigated gender differences. Caloric and macronutrient intake during the day following SR and TSD were moderately to substantially consistent within individuals (Intraclass Correlation Coefficients: 0.34-0.75). During the late-night period of SR (22:00-04:00) and TSD (22:00-06:00), such consistency was slight to moderate, and participants consumed a greater percentage of calories from protein ( p = 0.01) and saturated fat ( p = 0.02) during SR, despite comparable caloric intake ( p = 0.12). Similarly, participants consumed a greater percentage of calories from saturated fat during the day following SR than TSD ( p = 0.03). Participants also consumed a greater percentage of calories from protein during recovery after TSD ( p sleep loss. This is the first evidence of phenotypic trait-like stability and differential vulnerability of energy balance responses to two commonly experienced types of sleep loss: our findings open the door for biomarker discovery and countermeasure development to predict and mitigate this critical health-related vulnerability.

Total Energy Expenditure (TEE) measured with the doubly labeled water technique in women from 60 to 70 years of age from Havana City, Cuba

International Nuclear Information System (INIS)

Hernandez-Triana, M.H.; Porrata, C.; Estrada, G.; Diaz, M.E.; Martin, I.; Bayley, H.; McCormack, B.A.; Jones, P.J.H.

2002-01-01

Aim: With the purpose to measure the Total Energy Expenditure (TEE) and to validate the Cuban Dietary Energy Allowance for elderly subjects, energy expenditure was assessed by the doubly labeled water technique in 11 women aged 65.9 ± 2.8 y with a mean BMI of 21.4 ± 4.2 kg/m2 during 14 days under free-living conditions in their own environment in Havana City. Materials and Methods: After taking a basal urine sample, the women received an oral dose of 2.5 g H218O (10%) and 0.12 g 2H2O (99.8%) body weight and samples of saliva and urine were collected 14 days after. Resting Metabolic Rate (RMR) was estimated by the Schofield equations proposed by the 1985 FAO/WHO/UNU Expert Committee Report and energy intake was measured by trained dietitians using the 3-day weighed dietary record. A mean value of the food quotient of 0.85 was used for the calculations of the CO2 production by the isotopic method. Results: In spite of the expected variability, the differences between TEE measured by the isotopic method (7.57 MJ/d) and estimated according to FAO/WHO/UNU, 1985 (7.24 MJ/d) were not significant (0.625). The recommended dietary allowance for energy valid for Cuban elderly subjects (7.66 MJ/d) was only slight over the value of the measured TEE. The value of energy expenditure measured in free-living elderly women from Havana City was in the range of acceptable values (6-8 MJ/d) for this group of age. Conclusions: The total energy expenditure of elderly women from Havana City was lower than reported values for women living in developed countries but coincident with those of women of the developing world. The differences between dietary energy intake and TEE measured by the isotopic method were around 27% and coincident with previous reports in elderly people. The Cuban allowance for dietary energy for elderly women was enough for covering their energy requirements

A study of events with large total transverse energy produced in proton-antiproton collisions at √s = 1.8 TeV

International Nuclear Information System (INIS)

Piekarz, H.

1994-09-01

Properties of events originating from proton-antiproton interactions in which the total transverse energy, Σ|E T |, of the event exceeded 400 GeV are presented. These events were produced at the Fermilab Tevatron Collider operating at a center-of-mass energy of 1.8 TeV and recorded in the D0 detector. The authors describe their analysis method which minimizes the effect of multiple interactions in the data sample. Based on a data sample of 5.45 ± 0.65 pb -1 , the topology of these hard scattering events as well as preliminary results for the cross-section, dσ/dΣ|E T |, are presented and discussed

Universal Laws and the Structure of the “Total Universe”

Directory of Open Access Journals (Sweden)

David McGraw Jr

2017-09-01

Full Text Available Recent developments in Particle Physics and Cosmology lead one naturally to the existence of many universes. Although direct confi rmation of other universes is diffi cult, it is not impossible. This paper is a look at a new theory of multiple universes. The idea of t = 0, goes back long before the creation of our universe. The “Total Universe’ contains many universes like our universe. The number of universes is infi nite, so some universes are far older than our universe. These ultimate areas of space were our universe started, is still creating new universes. Many big bangs have occurred in the past, and many big bangs will occur in the future. Big bangs are not something that happens just once or twice. Many diff erent universes exist; in this larger area of space we can call the ‘Total Universe’. In the ‘Total Universe’ the second law of thermodynamics is violated. The second Law of thermodynamics is a general law; it is not a universal law. The level of disorder in the ‘Total Universe’ is both increasing, and decreasing. In the ‘Total Universe’, entropy can increase, decrease, or remain constant. Individual universes are being created in the ‘Total Universe’; in these areas of the ‘Total Universe’ energy is not conserved. The ‘Total Universe’ is an energy creating machine. The conservation of energy is a general law because there are areas where external forces are being created so that the conservation of energy would not be valid.

Geothermal energy in the world energy scenario

International Nuclear Information System (INIS)

Barbier, E.

1989-01-01

This paper reports on the world energy consumption between 1960 and 1984 from primary energy sources (coal, natural gas, oil, hydropower, nuclear energy) and the same in percentages from 1925. This highlights the diminishing role of coal and the increased consumption of gas and oil. The latter has stabilized around 42% of the total after the drop in demand resulting from the oil crisis of 1973. The world energy consumption has then been divided into industrialized and developing countries. It appears that the latter, with a population equal to 68% of the total world population, consumed 23% of the world energy in 1982. Furthermore, the consumption figures show that the demand for domestic energy is much smaller in developing countries, and it is well-known that domestic energy consumed is one of the parameters used to assess standard of living. The total installed electric capacity throughout the world is then reported, divided between developed and developing countries, showing that the latter consumed 11% of all the electricity generated in the world in 1981. The world installed electric power of geothermal origin at the end of 1985 is shown, along with estimates for 1990. Geothermal energy represents 0.2% of the world electric power. This is obviously a small figure and indicates that geothermal energy plays a minor role on the world energy scene. However, if we distinguish between industrialized and developing countries, we can observe that, with their currently limited electrical consumption but good geothermal prospects, the developing countries could achieve quite a significant contribution to their total electric energy from that of geothermal origin, increasing at the moment from 3 to 19%. Finally, a comparison is made between electricity generating costs of different sources, showing that geothermal energy is competitive. A table illustrates the world evolution in installed geothermal capacity from 1950 to 1985. The non-electric uses of geothermal energy

Achievement report on research and development in the Sunshine Project in fiscal 1977. Studies on hydrogen energy total systems and the safety assuring technologies thereon (Studies on preparing criteria for the safety assuring technologies for hydrogen energy total systems); 1977 nendo suiso energy total system to sono hoan gijutsu ni kansuru kenkyu seika hokokusho. Suiso energy total system no hoan gijutsu kijun no sakusei ni kansuru kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1978-03-01

Studies have been made on preparing criteria for the safety assuring technologies for hydrogen energy total systems. The outline of the technological guideline for hydrogen manufacturing processes in the high temperature and pressure water decomposition method is the same as that in the normal pressure water decomposition method. However, its high temperature and pressure environment can cause new safety problems. Considerations should be given on, for example, material problems in structural materials and insulation materials including electrodes and membranes, introduction of gas-liquid separation and pressure balancing devices, problems in electrolyte circulation, and safety problems that may occur because of generation of hydrogen and oxygen under high temperature and pressure conditions. This paper summarizes these matters by surveying literature data. In order to provide basic information to prepare criteria for safety assuring technologies for the gaseous hydrogen liquefaction process, surveys and studies were made based on different items of technological information and experimental study results. Safety assuring technologies were discussed on metal hydrides (promising means for storing hydrogen). Powder is used to enhance hydrogen absorbing performance, whereas the metal hydrides are pulverized as a result of repetition of absorption and discharge of hydrogen. This paper describes also metal dust explosion disaster and its risk of occurrence. (NEDO)

Total quality management implementation guidelines

Energy Technology Data Exchange (ETDEWEB)

1993-12-01

These Guidelines were designed by the Energy Quality Council to help managers and supervisors in the Department of Energy Complex bring Total Quality Management to their organizations. Because the Department is composed of a rich mixture of diverse organizations, each with its own distinctive culture and quality history, these Guidelines are intended to be adapted by users to meet the particular needs of their organizations. For example, for organizations that are well along on their quality journeys and may already have achieved quality results, these Guidelines will provide a consistent methodology and terminology reference to foster their alignment with the overall Energy quality initiative. For organizations that are just beginning their quality journeys, these Guidelines will serve as a startup manual on quality principles applied in the Energy context.

Measurement of the Total Cross Section for Hadronic Production by e+e- Annihilation at Energies between 2.6-5 GeV