WorldWideScience

Sample records for energy displacement function

  1. Displacement functions for diatomic materials

    International Nuclear Information System (INIS)

    Panrkin, D.M.; Coulter, C.A.

    1979-01-01

    An extension of the methods of Lindhard et at. was used to calculate the total displacement function n/sub ij/(E) for a number of diatomic materials, where n/sub ij/(E) is defined to be the average number of atoms of type j which are displaced from their sites in a displacement cascade initiated by a PKA of type i and energy E. From the n/sub ij/(E) one can calculate the fraction n/sub ij/(E) of the displacements produced by a type i PKA with energy E which are of type j. Values of the n/sub ij/ for MgO, CaO, Al 2 O 3 , and TaO are presented. It is shown that for diatomic materials with mass ratios reasonably near one (e.g., MgO, Al 2 O 3 ) and equal displacement thresholds for the two species the n/sub ij/ become independent of the PKA type i at energies only a few times threshold. However, for larger mass ratios the n/sub ij/ do not become independent of i until much larger, energies are reached - e.g. > 10 5 eV for TaO. In addition, it is found that the n/sub ij/ depend sensitively on the displacement thresholds, with very dramatic charges occuring when the two thresholds become significantly different from one another

  2. On the Coulomb displacement energy

    International Nuclear Information System (INIS)

    Sato, H.

    1976-01-01

    The Coulomb displacement energies of the T=1/2 mirror nuclei (A=15,17,27,29,31,33,39 and 41) are re-examined with the best available HF wave functions (the DME and the Skyrme II interaction), with the inclusion of all electromagnetic corrections. The results are compared with the experimental s.p. charge dependent energies extracted from the experimental data taking into account admixtures of core-excitation corrections with the help of present shell-model and co-existence model calculations. Although the so-called Nolen-Schiffer anomaly is not removed by these improvements, it is found that the remaining observed anomalies in the ground states of s.p. and s.h. systems can be resolved with the introduction of a simple, phenomenological charge symmetry breaking nucleon-nucleon force. This force can also account for the observed anomalies in the higher excited s.p. states, while those of the deeper s.h. states need further explanation. (Auth.)

  3. Nuclear sizes and the Coulomb Displacement Energy

    International Nuclear Information System (INIS)

    Van der Werf, S.Y.

    1997-01-01

    Data on Coulomb Displacement Energies in the mass range A = 40 - 240 are analyzed in the deformed Liquid Drop model and in the independent particle model. Reduced half-widths of Woods-Saxon mean-field potential of the resulting neutron-excess distributions are deduced. It is argued that the Nolen-Schiffer anomaly may be lifted by allowing for a slight binding-energy dependence of the mean-field potential geometry. (author)

  4. Core polarization and Coulomb displacement energies

    International Nuclear Information System (INIS)

    Shlomo, S.; Love, W.G.

    1982-01-01

    The contributions of core polarization terms (other than the Auerbach-Kahana-Weneser (AKW) effect) to Coulomb displacement energies of mirror nuclei near A = 16 and A = 40 are examined within the particle-vibration coupling model. The parameters of the model are determined using updated data on the locations and strengths of multipole core excitations. In the absence of relevant data an energy-weighted sum rule (EWSR) is exploited. Taking into account multipole excitations up to L = 5 and subtracting the contributions which are due to short-range correlations, significant contributions (1-3%) to ΔEsub(c) are found. These corrections arise from particle coupling to low-lying collective states (long-range correlations). The implications of these results on the Coulomb energy problem are discussed. (Auth.)

  5. Mirror displacement energies and neutron skins

    International Nuclear Information System (INIS)

    Duflo, J.; Zuker, A.P.

    2002-01-01

    A gross estimate of the neutron skin [0.80(5)(N-Z)/A fm] is extracted from experimental proton radii, represented by a four parameter fit, and observed mirror displacement energies (CDE). The calculation of the latter relies on an accurately derived Coulomb energy and smooth averages of the charge symmetry breaking potentials constrained to state of the art values. The only free parameter is the neutron skin itself. The Nolen Schiffer anomaly is reduced to small deviations (rms=127 keV) that exhibit a secular trend. It is argued that with state of the art shell model calculations the anomaly should disappear. Highly accurate fits to proton radii emerge as a fringe benefit

  6. Computer simulation of high energy displacement cascades

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1990-01-01

    A methodology developed for modeling many aspects of high energy displacement cascades with molecular level computer simulations is reviewed. The initial damage state is modeled in the binary collision approximation (using the MARLOWE computer code), and the subsequent disposition of the defects within a cascade is modeled with a Monte Carlo annealing simulation (the ALSOME code). There are few adjustable parameters, and none are set to physically unreasonable values. The basic configurations of the simulated high energy cascades in copper, i.e., the number, size and shape of damage regions, compare well with observations, as do the measured numbers of residual defects and the fractions of freely migrating defects. The success of these simulations is somewhat remarkable, given the relatively simple models of defects and their interactions that are employed. The reason for this success is that the behavior of the defects is very strongly influenced by their initial spatial distributions, which the binary collision approximation adequately models. The MARLOWE/ALSOME system, with input from molecular dynamics and experiments, provides a framework for investigating the influence of high energy cascades on microstructure evolution. (author)

  7. Coulomb displacement energies and neutron density distributions

    International Nuclear Information System (INIS)

    Shlomo, S.

    1979-01-01

    We present a short review of the present status of the theory of Coulomb displacement energies, ΔEsub(c), discussing the Okamoto-Nolem-Schiffer anomaly and its solution. We emphasize, in particular, that contrary to previous hopes, ΔEsub(c) does not determine rsub(ex), the root-mean square (rms) radius of the excess (valence) neutron density distribution. Instead, ΔEsub(c) is very sensitive to the value of Δr = rsub(n) - rsub(p), the difference between the rms radii of the density distributions of all neutrons and all protons. For neutron rich nuclei, such as 48 Ca and 208 Pb, a value of Δr = 0.1 fm is found to be consistent with ΔEsub(c). This value of Δr, which is considerably smaller than that (of 0.2 - 0.3 fm) predicted by some common Hartree-Fock calculations, seems to be confirmed by very recent experimental results. (orig.)

  8. Nucleon-nucleon correlations and the Coulomb Displacement Energy

    International Nuclear Information System (INIS)

    Van Neck, D.; Waroquier, M.; Heyde, K.

    1997-01-01

    Coulomb Displacement Energies (CDE) are accurately known for a wide range of nuclear masses. Assuming isospin independence in the nuclear Hamiltonian, the CDE can in first instance be interpreted as the Coulomb interaction energy between the density of the excess neutrons and the proton charge density in the parent nucleus. However, when using reasonable mean-field models for the proton and neutron density one underestimates the CDE by about 8% on average. This discrepancy is known as the Nolen-Schiffer anomaly, and various explanations have been put forward in the past. In this work the role of nucleon-nucleon correlations are re-examined. Calculations for the pair density functions in various nuclei are presented. Preliminary results suggest that the modifications to the mean-field pair density functions cause an enhancement of the CDE in the order of 4%, which is rather A-independent. (author)

  9. Displacement energies for Zr measured in a HVEM

    International Nuclear Information System (INIS)

    Griffiths, M.

    1989-01-01

    This paper describes direct measurements of threshold displacement energies for Zr obtained by electron irradiation in a high voltage microscope (HVEM) and compares the measurements with the earlier data.

  10. Damage energy and displacement cross sections: survey and sensitivity. [Neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Doran, D.G.; Parkin, D.M.; Robinson, M.T.

    1976-10-01

    Calculations of damage energy and displacement cross sections using the recommendations of a 1972 IAEA Specialists' Meeting are reviewed. The sensitivity of the results to assumptions about electronic energy losses in cascade development and to different choices respecting the nuclear cross sections is indicated. For many metals, relative uncertainties and sensitivities in these areas are sufficiently small that adoption of standard displacement cross sections for neutron irradiations can be recommended.

  11. Damage energy and displacement cross sections: survey and sensitivity

    International Nuclear Information System (INIS)

    Doran, D.G.; Parkin, D.M.; Robinson, M.T.

    1976-10-01

    Calculations of damage energy and displacement cross sections using the recommendations of a 1972 IAEA Specialists' Meeting are reviewed. The sensitivity of the results to assumptions about electronic energy losses in cascade development and to different choices respecting the nuclear cross sections is indicated. For many metals, relative uncertainties and sensitivities in these areas are sufficiently small that adoption of standard displacement cross sections for neutron irradiations can be recommended

  12. Effects of threshold displacement energy on defect production by displacement cascades in α, β and γ-LiAlO2

    International Nuclear Information System (INIS)

    Tsuchihira, H.; Oda, T.; Tanaka, S.

    2013-01-01

    Threshold displacement energy evaluation and a series of displacement cascade simulations in α, β, and γ-LiAlO 2 were performed using molecular dynamics. Threshold displacement energy evaluations indicated that higher absolute ionic charge values and larger densities both increase threshold displacement energy. The displacement cascade simulations suggest that the influence of different crystal structures on the number of interstitial atoms generated in a displacement cascade is explainable almost entirely by the difference of the threshold displacement energy

  13. Coulomb displacement energies in nuclei: a new approach

    International Nuclear Information System (INIS)

    Auerbach, N.; Tel Aviv Univ.; Bernard, V.; Nguyen, V.G.

    1978-04-01

    The neutron core polarization gives rise to an important correction to the direct Coulomb contribution when one calculates the Coulomb displacement energies. In the Hartree-Fock model it is shown that this correction is about 2% to 4.5% in medium and heavy nuclei. The core polarization as well as other higher order effects can be included by using a selfconsistent description of the analog state in a complete proton particle-neutron hole space. The Coulomb displacement energies in 48 Ca, 88 Sr and 208 Pb have been calculated using Skyrme interactions SIII and SIV. A good agreement with experiment is obtained

  14. Directional dependence of the threshold displacement energies in metal oxides

    Science.gov (United States)

    Cowen, Benjamin J.; El-Genk, Mohamed S.

    2017-12-01

    Molecular dynamics (MD) simulations are performed to investigate the directional dependence and the values of the threshold energies (TDEs) for the displacements of the oxygen and metal atoms and for producing stable Frenkel pairs in five metal oxides of Cr2O3, Al2O3, TiO2, SiO2, and MgO. The TDEs for the Frenkel pairs and atoms displacement are calculated in 66 crystallographic directions, on both the anion and cation sublattices. The performed simulations are for metal and oxygen PKA energies up to 350 and 400 eV, respectively. The calculated probability distributions for the atoms displacement and average number of Frenkel pairs produced in the different oxides are compared. The results revealed unique symmetrical patterns of the TDEs for the displacement of the atoms and the formation of stable Frenkel pairs, confirming the strong dependence on the direction and the crystalline structure of the oxides. Results also showed that the formation of stable Frenkel pairs is associated with the displacements of the PKAs and/or of the SKAs. The probabilities of the TDEs for the displacement of the oxygen and metal PKAs are consistently lower than those of the atoms in the crystal. In SiO2, TDEs for the displacement of oxygen and metal atoms and those for the formation of stable Frenkel pairs are the lowest, while those in TiO2 are among the highest. The results for Cr2O3 and Al2O3, which have the same crystal structure, are similar. The calculated TDEs for MgO, Al2O3 and TiO2 are generally in good agreement with the experimental values and the probability distributions of the TDEs for the PKAs in TiO2 are in good agreement with reported MD simulation results.

  15. Potential displacement of petroleum imports by solar energy technologies

    Energy Technology Data Exchange (ETDEWEB)

    DeLeon, P.; Jackson, B.L.; McNown, R.F.; Mahrenholz, G.J.

    1980-05-01

    The United States currently imports close to half of its petroleum requirements. This report delineates the economic, social, and political costs of such a foreign oil dependency. These costs are often intangible, but combined they clearly constitute a greater price for imported petroleum than the strictly economic cost. If we can assume that imported oil imposes significant socioeconomic costs upon the American economy and society, one way to reduce these costs is to develop alternative, domestic energy sources - such as solar energy technologies - which can displace foreign petroleum. The second half of this report estimates that by the year 2000, solar energy technologies can displace 3.6 quads of petroleum. This figure includes solar energy applications in utilities, industrial and agricultural process heat, and transportation. The estimate can be treated as a lower bound; if the United States were to achieve the proposed goal of 20 quads by 2000, the amount of displaced oil probably would be greater. Although all the displaced oil would not be imported, the reduction in imported petroleum would relieve many of the conditions that increase the present cost of foreign oil to the American consumer.

  16. Coulomb displacement energies between analog levels for 44 < = A < = 239

    International Nuclear Information System (INIS)

    Antony, M.S.; Britz, J.; Pape, A.

    1985-08-01

    Experimental Coulomb displacement energie ΔEsub(C) between isobaric analog levels are tabulated for 44 <- A <- 239, extending recent work in which similar data were presented for 3 <- A <- 45. An overall parametrization in anti-Z/A sup(1/3) and uniform radius parameters rsub(o) are given

  17. Coulomb displacement energies of the T=1, J=0 states of A=42 nuclei

    International Nuclear Information System (INIS)

    Sato, H.

    1978-01-01

    Coulomb displacement energies of the T=1, J=0 + and 6 1 + states of A=42 nuclei are analyzed with previously known charge dependent forces and effects, and with the available Hartree-Fock single-particle wave functions. From the study of the Coulomb displacement energies of the 6 1 + states it is found that the present knowledge on the charge dependence, including a phenomenological charge symmetry breaking force previously introduced so as to help explain the Nolen-Schiffer anomaly, gives a sufficient and consistent explanation for both single-particle and two-particle systems. From the study of the 0 + states, it is found that the Coulomb displacement energies of the second 0 2 + states can be explained with a compensation between the smaller Coulomb energies of the second lowest two-particle state and larger ones of the deformed 4p-2h state. (Auth.)

  18. Wave function collapse implies divergence of average displacement

    OpenAIRE

    Marchewka, A.; Schuss, Z.

    2005-01-01

    We show that propagating a truncated discontinuous wave function by Schr\\"odinger's equation, as asserted by the collapse axiom, gives rise to non-existence of the average displacement of the particle on the line. It also implies that there is no Zeno effect. On the other hand, if the truncation is done so that the reduced wave function is continuous, the average coordinate is finite and there is a Zeno effect. Therefore the collapse axiom of measurement needs to be revised.

  19. Primary defect production by high energy displacement cascades in molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Selby, Aaron P. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Xu, Donghua, E-mail: xudh@utk.edu [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Juslin, Niklas; Capps, Nathan A. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Wirth, Brian D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Oak Ridge National Laboratory, P.O. Box 2008, MS6003, Oak Ridge, TN 37831 (United States)

    2013-06-15

    We report molecular dynamics simulations of primary damage in molybdenum produced by high energy displacement cascades on the femto- to pico-second and Angstrom to nanometer scales. Clustering directly occurred for both interstitials and vacancies in the 1–50 keV cascade energy range explored. Point defect survival efficiency and partitioning probabilities into different sized clusters were quantified. The results will provide an important reference for kinetic models to describe the microstructural evolution in Mo under ion or neutron irradiations over much longer time and length scales.

  20. First-principles and classical molecular dynamics study of threshold displacement energy in beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Vladimirov, P.V. [Institute for Applied Materials – Applied Materials Physics, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Borodin, V.A., E-mail: Borodin_VA@nrcki.ru [National Research Center “Kurchatov Institute”, 123182 Moscow (Russian Federation); NRNU MEPhI, 115409 Moscow (Russian Federation)

    2017-02-15

    Highlights: • Beryllium is a functional material of future fusion reactors. • The threshold displacement energy by fast particles is studied. • Classical and first principles simulations are used. - Abstract: Beryllium selected as a neutron multiplier material for the tritium breeding blanket of fusion reactor should withstand high doses of fast neutron irradiation. The damage produced by irradiation is usually evaluated assuming that the number of atomic displacements to the threshold displacement energy, E{sub d}, which is considered as an intrinsic material parameter. In this work the value of E{sub d} for hcp beryllium is estimated simultaneously from classical and first-principles molecular dynamics simulations. Quite similar quantitative pictures of defect production are observed in both simulation types, though the predicted displacement threshold values seem to be approximately two times higher in the first-principles approach. We expect that, after more detailed first-principles investigations, this approach can be used for scaling the damage prediction predictions by classical molecular dynamics, opening a way for more consistent calculations of displacement damage in materials.

  1. Emittance growth in displaced, space-charge-dominated beams with energy spread

    International Nuclear Information System (INIS)

    Barnard, J.J.; Miller, J.; Haber, I.

    1993-01-01

    Conversion of transverse energy associated with the coherent motion of displaced beams into thermal energy, and thus emittance growth, has been predicted theoretically by a number of authors. Here, they authors show, using 2-D particle-in-cell simulations, that emittance growth is inhibited for tune depressed beams, if the energy spread of the beam is not too large. Further, using a uniform density model to calculate the space charge field of the beam, they numerically determine the criteria for emittance growth as a function of tune depression, energy spread, and beam displacement over a wide range of parameters. A theoretical interpretation of the results is presented. This study is applicable to an inertial fusion reactor driven by a heavy ion accelerator

  2. Determination of displacement threshold energies in pure Ti and in γ-TiAl alloys by electron irradiation

    International Nuclear Information System (INIS)

    Sattonnay, G.; Dimitrov, O.

    1999-01-01

    Resistivity damage rates, determined during low-temperature electron irradiations in the energy range 0.3-2.5 MeV, were used for evaluating displacement threshold energies of titanium in high purity hcp titanium, and of titanium and aluminium in γ-TiAl intermetallic compounds. These parameters were deduced from a comparison of experimental displacement cross-section variations as a function of electron energy, with theoretical curves based on a displacement model for diatomic materials. The displacement energy of titanium in hcp titanium appears to depend on the electron energy. A threshold value of 21±1 eV was obtained in the range 0.3-0.5 MeV, and a larger value of 30±2 eV is determined in the range 0.5-2.5 MeV. In γ-TiAl, aluminium atoms are displaced first, with a threshold displacement energy (34±2 eV) larger than the one of titanium atoms, and much higher than the value in pure aluminium. The displacement energy of Ti atoms is 28±2 eV, close to the one obtained in pure titanium under similar conditions. These results were used for re-evaluating the Frenkel-pair resistivity of the stoichiometric TiAl compound. (orig.)

  3. Correlations between Energy and Displacement Demands for Performance-Based Seismic Engineering

    Science.gov (United States)

    Mollaioli, Fabrizio; Bruno, Silvia; Decanini, Luis; Saragoni, Rodolfo

    2011-01-01

    The development of a scientific framework for performance-based seismic engineering requires, among other steps, the evaluation of ground motion intensity measures at a site and the characterization of their relationship with suitable engineering demand parameters (EDPs) which describe the performance of a structure. In order to be able to predict the damage resulting from earthquake ground motions in a structural system, it is first necessary to properly identify ground motion parameters that are well correlated with structural response and, in turn, with damage. Since structural damage during an earthquake ground motion may be due to excessive deformation or to cumulative cyclic damage, reliable methods for estimating displacement demands on structures are needed. Even though the seismic performance is directly related to the global and local deformations of the structure, energy-based methodologies appear more helpful in concept, as they permit a rational assessment of the energy absorption and dissipation mechanisms that can be effectively accomplished to balance the energy imparted to the structure. Moreover, energy-based parameters are directly related to cycles of response of the structure and, therefore, they can implicitly capture the effect of ground motion duration, which is ignored by conventional spectral parameters. Therefore, the identification of reliable relationships between energy and displacement demands represents a fundamental issue in both the development of more reliable seismic code provisions and the evaluation of seismic vulnerability aimed at the upgrading of existing hazardous facilities. As these two aspects could become consistently integrated within a performance-based seismic design methodology, understanding how input and dissipated energy are correlated with displacement demands emerges as a decisive prerequisite. The aim of the present study is the establishment of functional relationships between input and dissipated energy

  4. Specific Effects of Ionizing Energy on the Displacement Damage Calculation in Insulators

    International Nuclear Information System (INIS)

    Vila, R.; Mota, F.; Ortiz, C. J.

    2012-01-01

    The level of damage expected in functional materials for future fusion reactors is generally much lower than structural materials, but the degradation of their physical properties is also generally observed at very low dose levels compared to the latter. Normally the properties of interest (DC Electrical resistivity, HF dielectric absorption, optical transmission etc.) degrade long before mechanical integrity is an issue. This weakness is in part related to the more important effects of ionizing energy on both, covalent and ionic, insulators or semiconductors. As irradiation in fission and fusion reactors (even spallation sources) also involves the participation of gamma radiation, it has to be taken into account for total damage calculation. In the case of ions, the energy partition provides the amount of electronic (ionizing) energy lost in the material. In general and regarding radiation, insulating materials can be divided in two groups depending on whether they experience radiolysis, (i.e. purely ionizing radiation can produce noticeable amounts of atomic displacements) or not. First group includes for example alkali halides and fluorides. But, although radiolysis is negligible in the second group (radiation-hard materials), collateral effects of ionizing radiation have been observed (when combined with displacement damage). Therefore it is important to make some comments about the concept and use of dpa (displacements per atom) in this large family of materials

  5. Expansion of a function about a displaced centre

    International Nuclear Information System (INIS)

    Rashid, M.A.

    1981-07-01

    We review the progress recently made in obtaining closed form expressions for the expansion of general orbitals about a displaced centre and establish the equivalence between different expansions. We also examine how these expressions do have the desired limit as the displacement approaches zero. (author)

  6. An Evaluation of Neutron Energy Spectrum Effects in Iron Based on Molecular Dynamics Displacement Cascade Simulations

    International Nuclear Information System (INIS)

    Greenwood, L.R.; Stoller, R.E.

    1998-01-01

    The results of molecular dynamics (MD) displacement cascade simulations in bcc iron have been used to obtain effective cross sections for two measures of primary damage production: (1) the number of surviving point defects expressed as a fraction of the displacements calculated using the standard secondary displacement model of Norgett, Robinson, and Torrens (NRT), and (2) the fraction of the surviving interstitials contained in clusters that formed during the cascade event. Primary knockon atom spectra for iron obtained from the SPECTER code have been used to weight these MD-based damage production cross sections in order to obtain spectrally-averaged values for several locations in commercial fission reactors and materials test reactors. An evaluation of these results indicates that neutron energy spectrum differences between the various enviromnents do not lead to significant differences between the average primary damage formation parameters. In particular, the defect production cross sections obtained for PWR and BWR neutron spectra were not significantly different. The variation of the defect production cross sections as a function of depth into the reactor pressure vessel wall is used as a sample application of the cross sections. A slight difference between the attenuation behavior of the PWR and BWR was noted; this difference could be explained by a subtle difference in the energy dependence of the neutron spectra. Overall, the simulations support the continued use of dpa as a damage correlation parameter

  7. Structural dependence of threshold displacement energies in rutile, anatase and brookite TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, M., E-mail: marc.robinson@curtin.edu.au [Nanochemistry Research Institute, Curtin University, GPO Box U1987, Perth, WA 6845 (Australia); Marks, N.A. [Discipline of Physics and Astronomy, Curtin University, Perth, WA 6845 (Australia); Lumpkin, G.R. [Australian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia)

    2014-09-15

    Systematic molecular dynamics simulations of low energy cascades have been performed to examine how threshold displacement events are effected by changes in crystal structure. Exploiting the structural proximity of the rutile, anatase and brookite polymorphs of TiO{sub 2}, a quantitative examination of defect production has been carried out including detailed defect analysis and the determination of values of the threshold displacement energy (E{sub d}). Across all polymorphs comparable values of E{sub d} are reported for oxygen at around 20 eV, with the value for Ti in rutile (73 ± 2 eV) significantly higher than that in brookite (34 ± 1 eV) and anatase (39 ± 1 eV). Quantifying defect formation probability as a function of Primary Knock-on Atom (PKA) energy, simulations in rutile indicate a consistent reduction in defect formation at energies higher than E{sub d} relative to anatase and brookite. Defect cluster analysis reveals a significant proportion of di-Frenkel pairs in anatase at Ti PKA energies around E{sub d}. These clusters, which are stabilised by the localisation of two Frenkel pairs, are associated with a recombination barrier of approximately 0.19 eV. As such, annihilation is likely under typical experimental conditions which suggests an expected increase in the measured Ti value of E{sub d}. Identical O defect populations produced at the threshold by the O PKA in both rutile and anatase explain the comparable values of E{sub d}. At higher O PKA energies, the commencement of defect production on both sublattices in anatase is observed in contrast to the confinement of defects to the O sublattice in rutile. The overall trends reported are consistent with in-situ irradiation experiments and thermal spike simulations, suggesting the contrasting radiation response of the polymorphs of TiO{sub 2} is apparent during the initial stages of defect production. - Highlights: • Systematic calculation of threshold displacement energies (E{sub d

  8. Characterization of the energy-dependent uncertainty and correlation in silicon neutron displacement damage metrics

    Directory of Open Access Journals (Sweden)

    Griffin Patrick

    2017-01-01

    Full Text Available A rigorous treatment of the uncertainty in the underlying nuclear data on silicon displacement damage metrics is presented. The uncertainty in the cross sections and recoil atom spectra are propagated into the energy-dependent uncertainty contribution in the silicon displacement kerma and damage energy using a Total Monte Carlo treatment. An energy-dependent covariance matrix is used to characterize the resulting uncertainty. A strong correlation between different reaction channels is observed in the high energy neutron contributions to the displacement damage metrics which supports the necessity of using a Monte Carlo based method to address the nonlinear nature of the uncertainty propagation.

  9. Influence of subcascade formation on displacement damage at high PKA energies

    Energy Technology Data Exchange (ETDEWEB)

    Stoller, R.E. [Oak Ridge National Lab., TN (United States); Greenwood, L.R. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-08-01

    The design of first generation fusion reactors will have to be rely on radiation effects data obtained from experiments conducted in fission reactors. Two issues must be addressed to use this data with confidence. The first is differences in the neutron energy spectrum, and the second is differences in nuclear transmutation rates. Differences in the neutron energy spectra are reflected in the energy spectra of the primary knockon atoms (PKA). The issue of PKA energy effects has been addressed through the use of displacement cascade simulations using the method of molecular dynamics (MD). Although MD simulations can provide a detailed picture of the formation and evolution of displacement cascades, they impose a substantial computational burden. However, recent advances in computing equipment permit the simulation of high energy displacement events involving more than one-million atoms; the results presented here encompass MD cascade simulation energies from near the displacement threshold to as high as 40 keV. Two parameters have been extracted from the MD simulations: the number of point defects that remain after the displacement event is completed and the fraction of the surviving interstitials that are contained in clusters. The MD values have been normalized to the number of atomic displacements calculated with the secondary displacement model by Norgett, Robinson, and Torrens (NRT).

  10. [Correlation analysis between residual displacement and hip function after reconstruction of acetabular fractures].

    Science.gov (United States)

    Ma, Kunlong; Fang, Yue; Luan, Fujun; Tu, Chongqi; Yang, Tianfu

    2012-03-01

    To investigate the relationships between residual displacement of weight-bearing and non weight-bearing zones (gap displacement and step displacement) and hip function by analyzing the CT images after reconstruction of acetabular fractures. The CT measures and clinical outcome were retrospectively analyzed from 48 patients with displaced acetabular fracture between June 2004 and June 2009. All patients were treated by open reduction and internal fixation, and were followed up 24 to 72 months (mean, 36 months); all fractures healed after operation. The residual displacement involved the weight-bearing zone in 30 cases (weight-bearing group), and involved the non weight-bearing zone in 18 cases (non weight-bearing group). The clinical outcomes were evaluated by Merle d'Aubigné-Postel criteria, and the reduction of articular surface by CT images, including the maximums of two indexes (gap displacement and step displacement). All the data were analyzed in accordance with the Spearman rank correlation coefficient analysis. There was strong negative correlation between the hip function and the residual displacement values in weight-bearing group (r(s) = -0.722, P = 0.001). But there was no correlation between the hip function and the residual displacement values in non weight-bearing group (r(s) = 0.481, P = 0.059). The results of clinical follow-up were similar to the correlation analysis results. In weight-bearing group, the hip function had strong negative correlation with step displacement (r(s) = 0.825, P = 0.002), but it had no correlation with gap displacement (r(s) = 0.577, P = 0.134). In patients with acetabular fracture, the hip function has correlation not only with the extent of the residual displacement but also with the location of the residual displacement, so the residual displacement of weight-bearing zone is a key factor to affect the hip function. In patients with residual displacement in weight-bearing zone, the bigger the step displacement is, the

  11. Neutron cross sections for defect production by high-energy displacement cascades in copper

    International Nuclear Information System (INIS)

    Heinisch, H.L.; Mann, F.M.

    1983-08-01

    Defect production cross sections for copper have been devised, based on computer simulations of displacement cascades. One thousand cascades ranging in energy from 200 eV to 200 keV were generated with the MARLOWE computer code. The cascades were subjected to a semi-empirical cascade quenching procedure and to short-term annealing with the ALSOME computer code. Functions were fitted to the numbers of defects produced as a function of primary knock-on atom (PKA) damage energy for the following defect types: 1) the total number of point defects after quenching and after short-term annealing, 2) the numbers of free interstitials and free vacancies after shortterm annealing, and 3) the numbers and sizes of vacancy and interstitial clusters after shortterm annealing. In addition, a function describing the number of distinct damage regions (lobes) per cascade was fitted to results of a graphical analysis of the cascade configurations. The defect production functions have been folded into PKA spectra using the NJOY nuclear data processing code system with ENDF/B-V nuclear data to yield neutron cross sections for defect production in copper. The free vacancy cross section displays much less variation with neutron energy than the cross sections for damage energy or total point defects

  12. Neutron cross sections for defect production by high energy displacement cascades in copper

    International Nuclear Information System (INIS)

    Heinisch, H.L.; Mann, F.M.

    1984-01-01

    Defect production cross sections for copper have been devised, based on computer simulations of displacement cascades. One thousand cascades ranging in energy from 200 eV to 200 keV were generated with the MARLOWE computer code. The cascades were subjected to a semi-empirical cascade quenching procedure and to short-term annealing with the ALSOME computer code. Functions were fitted to the numbers of defects produced as a function of primary knock-on atom (PKA) damage energy for the following defect types: 1) the total number of point defects after quenching and after short-term annealing, 2) the numbers of free interstitials and free vacancies after short-term annealing, and 3) the numbers and sizes of vacancy and interstitial clusters after short-term annealing. In addition, a function describing the number of distinct damage regions (lobes) per cascade was fitted to results of a graphical analysis of the cascade configurations. The defect production functions have been folded into PKA spectra using the NJOY nuclear data processing code system with ENDF/B-V nuclear data to yield neutron cross sections for defect production in copper. The free vacancy cross section displays much less variation with neutron energy than the cross sections for damage energy or total point defects. (orig.)

  13. Customizing Structure-Function Displacements in the Macula for Individual Differences.

    Science.gov (United States)

    Turpin, Andrew; Chen, Siyuan; Sepulveda, Juan A; McKendrick, Allison M

    2015-09-01

    In the macula, retinal ganglion cells (RGCs) are displaced from their receptive fields. We used optical coherence tomography (OCT) to customize displacements for individual eyes by taking into account macular shape parameters, and determined the likely effect of individual anatomical differences on structure-function mapping in the central visual field. Using the population average model of Drasdo et al. as a starting point, we altered the RGC count in that model based on the ratio of an individual's RGC layer plus inner plexiform layer thickness to the population average on a pointwise basis as a function of eccentricity from the fovea. For 20 adults (age, 24-33; median age, 28) with normal vision, we computed displacements with the original model and our customized approach. We report the variance in displacements among individuals and compare the effects of such displacements on structure-function mapping of the commonly used the 10-2 visual field pattern. As expected, customizing the displacement using individual OCT data made only a small difference on average from the population-based values predicted by the Drasdo et al. model. However, the range between individuals was over 1° at many locations, and closer to 2° at some locations in the superior visual field. Individualizing macular displacement measurements based on OCT data for an individual can result in large spatial shifts in the retinal area corresponding to 10-2 locations, which may be important for clinical structure-function analysis when performed on a local, spatial scale.

  14. Computer simulations of low energy displacement cascades in a face centered cubic lattice

    International Nuclear Information System (INIS)

    Schiffgens, J.O.; Bourquin, R.D.

    1976-09-01

    Computer simulations of atomic motion in a copper lattice following the production of primary knock-on atoms (PKAs) with energies from 25 to 200 eV are discussed. In this study, a mixed Moliere-Englert pair potential is used to model the copper lattice. The computer code COMENT, which employs the dynamical method, is used to analyze the motion of up to 6000 atoms per time step during cascade evolution. The atoms are specified as initially at rest on the sites of an ideal lattice. A matrix of 12 PKA directions and 6 PKA energies is investigated. Displacement thresholds in the [110] and [100] are calculated to be approximately 17 and 20 eV, respectively. A table showing the stability of isolated Frenkel pairs with different vacancy and interstitial orientations and separations is presented. The numbers of Frenkel pairs and atomic replacements are tabulated as a function of PKA direction for each energy. For PKA energies of 25, 50, 75, 100, 150, and 200 eV, the average number of Frenkel pairs per PKA are 0.4, 0.6, 1.0, 1.2, 1.4, and 2.2 and the average numbers of replacements per PKA are 2.4, 4.0, 3.3, 4.9, 9.3, and 15.8

  15. Displacement efficiency of alternative energy and trans-provincial imported electricity in China.

    Science.gov (United States)

    Hu, Yuanan; Cheng, Hefa

    2017-02-17

    China has invested heavily on alternative energy, but the effectiveness of such energy sources at substituting the dominant coal-fired generation remains unknown. Here we analyse the displacement of fossil-fuel-generated electricity by alternative energy, primarily hydropower, and by trans-provincial imported electricity in China between 1995 and 2014 using two-way fixed-effects panel regression models. Nationwide, each unit of alternative energy displaces nearly one-quarter of a unit of fossil-fuel-generated electricity, while each unit of imported electricity (regardless of the generation source) displaces ∼0.3 unit of fossil-fuel electricity generated locally. Results from the six regional grids indicate that significant displacement of fossil-fuel-generated electricity occurs once the share of alternative energy in the electricity supply mix exceeds ∼10%, which is accompanied by 10-50% rebound in the consumption of fossil-fuel-generated electricity. These findings indicate the need for a policy that integrates carbon taxation, alternative energy and energy efficiency to facilitate China's transition towards a low-carbon economy.

  16. Displacement efficiency of alternative energy and trans-provincial imported electricity in China

    Science.gov (United States)

    Hu, Yuanan; Cheng, Hefa

    2017-02-01

    China has invested heavily on alternative energy, but the effectiveness of such energy sources at substituting the dominant coal-fired generation remains unknown. Here we analyse the displacement of fossil-fuel-generated electricity by alternative energy, primarily hydropower, and by trans-provincial imported electricity in China between 1995 and 2014 using two-way fixed-effects panel regression models. Nationwide, each unit of alternative energy displaces nearly one-quarter of a unit of fossil-fuel-generated electricity, while each unit of imported electricity (regardless of the generation source) displaces ~0.3 unit of fossil-fuel electricity generated locally. Results from the six regional grids indicate that significant displacement of fossil-fuel-generated electricity occurs once the share of alternative energy in the electricity supply mix exceeds ~10%, which is accompanied by 10-50% rebound in the consumption of fossil-fuel-generated electricity. These findings indicate the need for a policy that integrates carbon taxation, alternative energy and energy efficiency to facilitate China's transition towards a low-carbon economy.

  17. A New Triangular Hybrid Displacement Function Element for Static and Free Vibration Analyses of Mindlin-Reissner Plate

    Directory of Open Access Journals (Sweden)

    Jun-Bin Huang

    Full Text Available Abstract A new 3-node triangular hybrid displacement function Mindlin-Reissner plate element is developed. Firstly, the modified variational functional of complementary energy for Mindlin-Reissner plate, which is eventually expressed by a so-called displacement function F, is proposed. Secondly, the locking-free formulae of Timoshenko’s beam theory are chosen as the deflection, rotation, and shear strain along each element boundary. Thirdly, seven fundamental analytical solutions of the displacement function F are selected as the trial functions for the assumed resultant fields, so that the assumed resultant fields satisfy all governing equations in advance. Finally, the element stiffness matrix of the new element, denoted by HDF-P3-7β, is derived from the modified principle of complementary energy. Together with the diagonal inertia matrix of the 3-node triangular isoparametric element, the proposed element is also successfully generalized to the free vibration problems. Numerical results show that the proposed element exhibits overall remarkable performance in all benchmark problems, especially in the free vibration analyses.

  18. Effects of temperature in binary-collision simulations of high-energy displacement cascades

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1981-10-01

    Several hundred cascades ranging from 1 to 500 keV were generated using the binary collision code MARLOWE for primary knock-on atoms (PKAs) with randomly chosen directions in both a non-thermal copper lattice and one having atomic displacements representative of room temperature. To simulate the recombination occurring during localized quenching of the highly excited cascade region, an effective spontaneous recombination radius was applied to reduce the number of defect pairs to be consistent with values extracted from resistivity measurements at 4 0 K. At room temperature fewer widely separated pairs are produced, thus the recombination radius is smaller, however, the recombination radii were found to be independent of energy over the entire energy range investigated for both the cold and room temperature cases. The sizes and other features of the point defect distributions were determined as a function of energy. Differences between cold and room temperature cascade dimensions are small. The room temperature cascades tend to have a greater number of distinct damage regions per cascade, with about the same frequency of widely separated subcascades

  19. Modified Displacement Transfer Functions for Deformed Shape Predictions of Slender Curved Structures with Varying Curvatives

    Science.gov (United States)

    Ko, William L.; Fleischer, Van Tran

    2014-01-01

    To eliminate the need to use finite-element modeling for structure shape predictions, a new method was invented. This method is to use the Displacement Transfer Functions to transform the measured surface strains into deflections for mapping out overall structural deformed shapes. The Displacement Transfer Functions are expressed in terms of rectilinearly distributed surface strains, and contain no material properties. This report is to apply the patented method to the shape predictions of non-symmetrically loaded slender curved structures with different curvatures up to a full circle. Because the measured surface strains are not available, finite-element analysis had to be used to analytically generate the surface strains. Previously formulated straight-beam Displacement Transfer Functions were modified by introducing the curvature-effect correction terms. Through single-point or dual-point collocations with finite-elementgenerated deflection curves, functional forms of the curvature-effect correction terms were empirically established. The resulting modified Displacement Transfer Functions can then provide quite accurate shape predictions. Also, the uniform straight-beam Displacement Transfer Function was applied to the shape predictions of a section-cut of a generic capsule (GC) outer curved sandwich wall. The resulting GC shape predictions are quite accurate in partial regions where the radius of curvature does not change sharply.

  20. PV microgrid business models for energy-delivery services in camps for displaced peoples

    Directory of Open Access Journals (Sweden)

    Marta Irene Feria Cerrada

    2017-11-01

    Full Text Available Energy services are essential for the protection of basic human rights and dignity. Since 2014, energy issues have been incorporated in United Nations High Commissioner for Refugees global protection strategies. Off-grid solar photovoltaics power solutions can now provide cost-effective clean electricity in camps comprised large populations of displaced peoples, internally displaced and/or refugees. Through microgrid modelling and risk analysis, we outline business models that could provide affordable and appropriate energy to displaced communities. Our proposed PV microgrid build-own-operate business models for camps of displaced populations consider providing household demands, institutional demands, and a combination of the two. We find that sustainable energy services can be provided to humanitarian agencies to power their compounds and community services such as health clinics and administrative centres. A fixed tariff of US$ 1 /kWh is viable provided: the local fuel prices are greater than US$ 0.6 /L at the point of use, and the capital costs of a backup or existing diesel generator are already covered. A fixed price tariff, mitigates running costs for humanitarian agencies. In addition, by leveraging the institutional energy demands, basic electricity services to up to 500 households for mobile phone charging and lighting could be provided for a monthly tariff of US$ 1.5 per household, which is favourable compared to the estimated of US$ 4 monthly cost of kerosene for a typical refugee household. The solutions we propose will reduce costs and improve the sustainability of humanitarian operations while achieving the United Nations High Commissioner for Refugees goals by providing electricity to displaced persons for lighting and communications.

  1. Sequential strand displacement beacon for detection of DNA coverage on functionalized gold nanoparticles.

    Science.gov (United States)

    Paliwoda, Rebecca E; Li, Feng; Reid, Michael S; Lin, Yanwen; Le, X Chris

    2014-06-17

    Functionalizing nanomaterials for diverse analytical, biomedical, and therapeutic applications requires determination of surface coverage (or density) of DNA on nanomaterials. We describe a sequential strand displacement beacon assay that is able to quantify specific DNA sequences conjugated or coconjugated onto gold nanoparticles (AuNPs). Unlike the conventional fluorescence assay that requires the target DNA to be fluorescently labeled, the sequential strand displacement beacon method is able to quantify multiple unlabeled DNA oligonucleotides using a single (universal) strand displacement beacon. This unique feature is achieved by introducing two short unlabeled DNA probes for each specific DNA sequence and by performing sequential DNA strand displacement reactions. Varying the relative amounts of the specific DNA sequences and spacing DNA sequences during their coconjugation onto AuNPs results in different densities of the specific DNA on AuNP, ranging from 90 to 230 DNA molecules per AuNP. Results obtained from our sequential strand displacement beacon assay are consistent with those obtained from the conventional fluorescence assays. However, labeling of DNA with some fluorescent dyes, e.g., tetramethylrhodamine, alters DNA density on AuNP. The strand displacement strategy overcomes this problem by obviating direct labeling of the target DNA. This method has broad potential to facilitate more efficient design and characterization of novel multifunctional materials for diverse applications.

  2. Fall with linear drag and Wien's displacement law: approximate solution and Lambert function

    International Nuclear Information System (INIS)

    Vial, Alexandre

    2012-01-01

    We present an approximate solution for the downward time of travel in the case of a mass falling with a linear drag force. We show how a quasi-analytical solution implying the Lambert function can be found. We also show that solving the previous problem is equivalent to the search for Wien's displacement law. These results can be of interest for undergraduate students, as they show that some transcendental equations found in physics may be solved without purely numerical methods. Moreover, as will be seen in the case of Wien's displacement law, solutions based on series expansion can be very accurate even with few terms. (paper)

  3. Mortality displacement as a function of heat event strength in 7 US cities.

    Science.gov (United States)

    Saha, Michael V; Davis, Robert E; Hondula, David M

    2014-02-15

    Mortality rates increase immediately after periods of high air temperature. In the days and weeks after heat events, time series may exhibit mortality displacement-periods of lower than expected mortality. We examined all-cause mortality and meteorological data from 1980 to 2009 in the cities of Atlanta, Georgia; Boston, Massachusetts; Minneapolis-St. Paul, Minnesota; Philadelphia, Pennsylvania; Phoenix, Arizona; Seattle, Washington; and St. Louis, Missouri. We modeled baseline mortality using a generalized additive model. Heat waves were defined as periods of 3 or more consecutive days in which the apparent temperature exceeded a variable percentile. For each heat wave, we calculated the sum of excess and deficit mortality. Mortality displacement, which is the ratio of grand sum deficit to grand sum excess mortality, decreased as a function of event strength in all cities. Displacement was close to 1.00 for the weakest events. At the highest temperatures, displacement varied from 0.35 (95% confidence interval: 0.21, 0.55) to 0.75 (95% confidence interval: 0.54, 0.97). We found strong evidence of acclimatization across cities. Without consideration of displacement effects, the net impacts of heat-wave mortality are likely to be significant overestimations. A statistically significant positive relationship between the onset temperature of nondisplaced heat mortality and mean warm-season temperature (R(2) = 0.78, P < 0.01) suggests that heat mortality thresholds may be predictable across cities.

  4. Coulomb displacement energy of the f sub(7/2) state of the 48Ca

    International Nuclear Information System (INIS)

    Sato, Hiroshi.

    1979-11-01

    The Coulomb displacement energy of the T = 4, J = 0 state of the 48 Ca is analyzed. Modifying a previous method of the calculation of the core polarization correction, it is found that the charge symmetry breaking force, which is introduced previously so as to help explain the Nolen-Schiffer anomaly of the T = 1/2 system, is also needed in this system, while there still exists an ambituity in the type of the force. (author)

  5. Modeling of damage generation mechanisms in silicon at energies below the displacement threshold

    International Nuclear Information System (INIS)

    Santos, Ivan; Marques, Luis A.; Pelaz, Lourdes

    2006-01-01

    We have used molecular dynamics simulation techniques to study the generation of damage in Si within the low-energy deposition regime. We have demonstrated that energy transfers below the displacement threshold can produce a significant amount of damage, usually neglected in traditional radiation damage calculations. The formation of amorphous pockets agrees with the thermal spike concept of local melting. However, we have found that the order-disorder transition is not instantaneous, but it requires some time to reach the appropriate kinetic-potential energy redistribution for melting. The competition between the rate of this energy redistribution and the energy diffusion to the surrounding atoms determines the amount of damage generated by a given deposited energy. Our findings explain the diverse damage morphology produced by ions of different masses

  6. Validity of displacement energy evaluation using molecular statics simulation in Li2O

    International Nuclear Information System (INIS)

    Oda, Takuji; Tanaka, Satoru

    2007-01-01

    Understanding on radiation damage processes in Li-containing oxides has been regarded as an important subject in fusion blanket engineering, because radiation defects significantly affect the tritium behavior and the material property. The displacement energy is a key parameter that determines the number of defects created by radiation, and thus should be evaluated. However, its determination by experiments has not been done, probably due to difficulties arising from insulating property and complicated crystalline structures of Li-containing oxides. Molecular simulation is an alternative method to evaluate the displacement energy. Two techniques have been used; one is molecular dynamics simulation (MD) and the other is molecular statics simulation (MS) with the sudden approximation. MD can provide atomic-scale views of radiation events in the dynamics and has been more widely applied. MS seems to provide less reliable results than MD for lack of the dynamics. Nevertheless, its low computational cost could be attractive for application to ternary Li-containing oxides of complicated structures. In the present work, therefore, we aimed to verify how reliable values MS can provide in comparison with MD. Li2O was chosen to be a test material, because Li2O has the simplest structure among Li-containing oxides, which facilitates verification of MS results. We evaluated threshold displacement energies by MS for a few tens of different irradiation direction, and compared with previous MD results. DL-POLY code was used for MD, while GULP code for MS. In MD, lower threshold energies have been observed for Li than O (20 eV for Li and 50 eV for O on average). This tendency was also realized in MS (15 eV for Li and 40 eV for O), although values were often underestimated by a few tens %. As for dependence of displacement energy on irradiation direction, MS basically gave results different from MD, not only in quantity but also in quality. It was considered that MS is useful to

  7. Mechanisms of defect production and atomic mixing in high energy displacement cascades: A molecular dynamics study

    International Nuclear Information System (INIS)

    Diaz de la Rubia, T.; Guinan, M.W.

    1991-01-01

    We have performed molecular dynamics computer simulation studies of displacement cascades in Cu at low temperature. For 25 keV recoils we observe the splitting of a cascade into subcascades and show that cascades in Cu may lead to the formation of vacancy and interstitial dislocation loops. We discuss a new mechanism of defect production based on the observation of interstitial prismatic dislocation loop punching from cascades at 10 K. We also show that below the subcascade threshold, atomic mixing in the cascade is recoil-energy dependent and obtain a mixing efficiency that scales as the square root of the primary recoil energy. 44 refs., 12 figs

  8. Coulomb displacement energies in relativistic and non-relativistic self-consistent models

    International Nuclear Information System (INIS)

    Marcos, S.; Savushkin, L.N.; Giai, N. van.

    1992-03-01

    Coulomb displacement energies in mirror nuclei are comparatively analyzed in Dirac-Hartree and Skyrme-Hartree-Fock models. Using a non-linear effective Lagrangian fitted on ground state properties of finite nuclei, it is found that the predictions of relativistic models are lower than those of Hartree-Fock calculations with Skyrme force. The main sources of reduction are the kinetic energy and the Coulomb-nuclear interference potential. The discrepancy with the data is larger than in the Skyrme-Hartree-Fock case. (author) 24 refs., 3 tabs

  9. Resonant neutron-induced atomic displacements

    Energy Technology Data Exchange (ETDEWEB)

    Elmaghraby, Elsayed K., E-mail: e.m.k.elmaghraby@gmail.com

    2017-05-01

    Highlights: • Neutron induced atomic displacements was investigated based on scattering of energy of neutron. • Model for cascade function (multiplication of displacements with increasing energy transfer) was proposed and justified. • Parameterizations for the dpa induced in all elements were performed. • Table containing all necessary parameters to calculate the displacement density induced by neutron is given. • Contribution of non resonance displacement and resonant-neutron induced displacements are distinguished. - Abstract: A model for displacement cascade function was modified to account for the continuous variation of displacement density in the material in response to neutron exposure. The model is based on the Gaussian distribution of displacement energies of atoms in a material. Analytical treatment for moderated epithermal neutron field was given in which the displacement density was divided into two terms, discrete-resonance term and continuum term. Calculation are done for all isotopes using ENDF/B VII.1 data files and temperature dependent cross section library. Weighted elemental values were reported a fitting was performed to obtain energy-dependent formula of displacement density and reduce the number of parameters. Results relevant the present specification of the cascade function are tabulated for each element to enable calculation of displacement density at any value of displacement energy in the between 5 eV and 55 eV.

  10. A variance analysis of the capacity displaced by wind energy in Europe

    DEFF Research Database (Denmark)

    Giebel, Gregor

    2007-01-01

    into a longer-term context. The results are that wind energy can contribute more than 20% of the European demand without significant changes in the system and can replace conventional capacity worth about 10% of the installed wind power capacity. The long-term reference shows that the analysed year is the worst...... simulating the scheduling of the European power plants to cover the demand at every hour of the year. The wind power generation was modelled using wind speed measurements from 60 meteorological stations, for 1 year. The distributed wind power also displaces fossil-fuelled capacity. However, every assessment...... of the displaced capacity (or a capacity credit) by means of a chronological model is highly sensitive to single events. Therefore the wind time series was shifted by integer days against the load time series, and the different results were aggregated. The some set of results is shown for two other options, one...

  11. Displacement cascades in diatomic materials

    International Nuclear Information System (INIS)

    Parkin, D.M.; Coulter, C.A.

    1981-01-01

    A new function, the specified-projectile displacement function p/sub ijk/ (E), is introduced to describe displacement cascades in polyatomic materials. This function describes the specific collision events that produce displacements and hence adds new information not previously available. Calculations of p/sub ijk/ (E) for MgO, Al 2 O 3 and TaO are presented and discussed. Results show that the parameters that have the largest effect on displacement collision events are the PKA energy and the mass ratio of the atom types in the material. It is further shown that the microscopic nature of the displacement events changes over the entire recoil energy range relevant to fusion neutron spectra and that these changes are different in materials whose mass ratio is near one than in those where it is far from one

  12. Resolution Effects on the Mean Square Displacement as Obtained by the Self-Distribution-Function Procedure

    International Nuclear Information System (INIS)

    Benedetto, A; Magazù, S; Migliardo, F; Mondelli, C; Gonzalez, M A

    2012-01-01

    In the present contribution, a procedure for molecular motion characterization based on the evaluation of the Mean Square Displacement (MSD), through the Self-Distribution Function (SDF), is presented. It is shown how MSD, which represents an important observable for the characterization of dynamical properties, can be decomposed into different partial contributions associated to system dynamical processes within a specific spatial scale. It is also shown how the SDF procedure allows us to evaluate both total MSD and partial MSDs through total and partial SDFs. As a result, total MSD is the weighed sum of partial MSDs in which the weights are obtained by the fitting procedure of measured Elastic Incoherent Neutron Scattering (EINS) intensity. We apply SDF procedure to data collected,by IN13, IN10 and IN4 spectrometers (Institute Laue Langevin), on aqueous mixtures of two homologous disaccharides (sucrose and trehalose) and on dry and hydrated (H 2 O and D 2 O) lysozyme with and without disaccharides. It emerges that the hydrogen bond imposed network of the water-trehalose mixture appears to be stronger with respect to that of the water-sucrose mixture. This result can justify the higher bioprotectant effectiveness of trehalose. Furthermore, it emerges that partial MSDs of sucrose and trehalose are equivalent in the low Q domain (0÷1.7) Å −1 whereas they are different in the high Q domain (1.7÷4) Å −1 . This suggests that the higher structure sensitivity of sucrose should be related to the small spatial observation windows. Moreover, the role of the instrumental resolution in EINS is considered. The nature of the dynamical transition is highlighted and it is shown that it occurs when the system relaxation time becomes shorter than the instrumental energy time. Finally, the bioprotectants effect on protein dynamics and the amplitude of vibrations in lysozyme are presented.

  13. Exonuclease of human DNA polymerase gamma disengages its strand displacement function.

    Science.gov (United States)

    He, Quan; Shumate, Christie K; White, Mark A; Molineux, Ian J; Yin, Y Whitney

    2013-11-01

    Pol γ, the only DNA polymerase found in human mitochondria, functions in both mtDNA repair and replication. During mtDNA base-excision repair, gaps are created after damaged base excision. Here we show that Pol γ efficiently gap-fills except when the gap is only a single nucleotide. Although wild-type Pol γ has very limited ability for strand displacement DNA synthesis, exo(-) (3'-5' exonuclease-deficient) Pol γ has significantly high activity and rapidly unwinds downstream DNA, synthesizing DNA at a rate comparable to that of the wild-type enzyme on a primer-template. The catalytic subunit Pol γA alone, even when exo(-), is unable to synthesize by strand displacement, making this the only known reaction of Pol γ holoenzyme that has an absolute requirement for the accessory subunit Pol γB. © 2013. Published by Elsevier B.V.

  14. Inductor-Free Wireless Energy Delivery via Maxwell's Displacement Current from an Electrodeless Triboelectric Nanogenerator.

    Science.gov (United States)

    Cao, Xia; Zhang, Meng; Huang, Jinrong; Jiang, Tao; Zou, Jingdian; Wang, Ning; Wang, Zhong Lin

    2018-02-01

    Wireless power delivery has been a dream technology for applications in medical science, security, radio frequency identification (RFID), and the internet of things, and is usually based on induction coils and/or antenna. Here, a new approach is demonstrated for wireless power delivery by using the Maxwell's displacement current generated by an electrodeless triboelectric nanogenerator (TENG) that directly harvests ambient mechanical energy. A rotary electrodeless TENG is fabricated using the contact and sliding mode with a segmented structure. Due to the leakage of electric field between the segments during relative rotation, the generated Maxwell's displacement current in free space is collected by metal collectors. At a gap distance of 3 cm, the output wireless current density and voltage can reach 7 µA cm -2 and 65 V, respectively. A larger rotary electrodeless TENG and flexible wearable electrodeless TENG are demonstrated to power light-emitting diodes (LEDs) through wireless energy delivery. This innovative discovery opens a new avenue for noncontact, wireless energy transmission for applications in portable and wearable electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. The Energy and Water Emergency Module; A containerized solution for meeting the energy and water needs in protracted displacement situations

    DEFF Research Database (Denmark)

    Nerini, Francesco Fuso; Valentini, Francesco; Modi, Anish

    2015-01-01

    The world has faced many natural and man-made disasters in the past few years, resulting in millions of people living in temporary camps across the globe. The energy and clean water needs of the relief operators in such emergency situations are primarily satisfied by diesel engine based generators...... and importing clean water to the site, in certain cases even for several years after the emergency. This approach results in problems such as low security of supply and high costs. Especially targeting the prolonged displacement situations, this paper presents an alternative solution – the Energy and Water...

  16. Effects of translation-rotation coupling on the displacement probability distribution functions of boomerang colloidal particles

    Science.gov (United States)

    Chakrabarty, Ayan; Wang, Feng; Sun, Kai; Wei, Qi-Huo

    Prior studies have shown that low symmetry particles such as micro-boomerangs exhibit behaviour of Brownian motion rather different from that of high symmetry particles because convenient tracking points (TPs) are usually inconsistent with the center of hydrodynamic stress (CoH) where the translational and rotational motions are decoupled. In this paper we study the effects of the translation-rotation coupling on the displacement probability distribution functions (PDFs) of the boomerang colloid particles with symmetric arms. By tracking the motions of different points on the particle symmetry axis, we show that as the distance between the TP and the CoH is increased, the effects of translation-rotation coupling becomes pronounced, making the short-time 2D PDF for fixed initial orientation to change from elliptical to crescent shape and the angle averaged PDFs from ellipsoidal-particle-like PDF to a shape with a Gaussian top and long displacement tails. We also observed that at long times the PDFs revert to Gaussian. This crescent shape of 2D PDF provides a clear physical picture of the non-zero mean displacements observed in boomerangs particles.

  17. Displaced trochanteric fragments lead to poor functional outcome in pertrochanteric fractures treated by cephalomedullary nails.

    Science.gov (United States)

    Studer, Patrick; Suhm, Norbert; Wang, Qing; Rosenthal, Rachel; Saleh, Hatem Al-Fadel; Jakob, Marcel

    2015-12-01

    The importance of the greater trochanter and its attached abductor muscles for physiological gait is well accepted. However the influence of a displaced greater trochanter fracture after a pertrochanteric fracture is unknown. The aim of this study is to determine if there is an association between the greater trochanter position and the level of patient mobility following internal fixation of pertrochanteric fractures. One hundred and thirty-three consecutive elderly patients with a median age of 85 (interquartile range [IQR] 79-91) years, who were treated for pertrochanteric fractures at a level I trauma centre, were recruited. AO 31 A3.1 and A3.2 fracture types were excluded from the statistical analysis. Patient mobility was prospectively assessed before the fracture and one year following fracture treatment using the Parker mobility score. In a multivariable analysis, the influence of a displaced greater trochanter on patient mobility at one-year follow-up was assessed. The analysis was adjusted for age, gender, body mass index, Charlson comorbidity index, AO fracture classification, varus-/valgus malposition of the neck-shaft fragments, and Parker mobility score before fracture. Post-operative X-rays were available in 125 patients, out of which 66 (53%) patients were identified with a displaced or migrated greater trochanter. One year mortality rate was 22% (n=27). In the 82 patients who had functional assessment one year post-operatively, the median Parker mobility score before fracture and at one-year follow-up was 7 (IQR 4-9) and 7 (IQR 3-9) in patients without, and 7 (IQR 4-9) and 3 (IQR 2-5) in patients with a displaced greater trochanter. In multivariable analysis, a displaced greater trochanter was significantly associated with a lower Parker mobility score (-1.74, 95% confidence interval -2.37, -1.12, pfractures with a cephalomedullary nail is associated with a poor functional outcome. Greater attention to achieve adequate reduction and stabilisation

  18. Discrete Displacement Hydraulic Power Take-Off System for the Wavestar Wave Energy Converter

    Directory of Open Access Journals (Sweden)

    Enrique Vidal

    2013-08-01

    Full Text Available The Wavestar Wave Energy Converter (WEC is a multiple absorber concept, consisting of 20 hemisphere shaped floats attached to a single platform. The heart of the Wavestar WEC is the Power Take-Off (PTO system, converting the wave induced motion of the floats into a steady power output to the grid. In the present work, a PTO based on a novel discrete displacement fluid power technology is explored for the Wavestar WEC. Absorption of power from the floats is performed by hydraulic cylinders, supplying power to a common fixed pressure system with accumulators for energy smoothing. The stored pressure energy is converted into electricity at a steady pace by hydraulic motors and generators. The storage, thereby, decouples the complicated process of wave power absorption from power generation. The core for enabling this PTO technology is implementing a near loss-free force control of the energy absorbing cylinders. This is achieved by using special multi-chambered cylinders, where the different chambers may be connected to the available system pressures using fast on/off valves. Resultantly, a Discrete Displacement Cylinder (DDC is created, allowing near loss free discrete force control. This paper presents a complete PTO system for a 20 float Wavestar based on the DDC. The WEC and PTO is rigorously modeled from incident waves to the electric output to the grid. The resulting model of +600 states is simulated in different irregular seas, showing that power conversion efficiencies above 70% from input power to electrical power is achievable for all relevant sea conditions.

  19. FUNCTIONAL OUTCOME OF INTERNAL FIXATION FOR DISPLACED INTRA-ARTICULAR CALCANEAL FRACTURE

    Directory of Open Access Journals (Sweden)

    Saket Jati

    2016-12-01

    Full Text Available BACKGROUND There are always difference of opinion in the importance of Bohler’s angle in evaluating the severity of displaced intra-articular calcaneal fractures and predicting the functional outcome following surgical fixation. The purpose of this research, the relationship exists between Bohler’s angle and the injury severity of displaced calcaneal fractures and between surgical improvement of Bohler’s angle and its practical outcome. MATERIALS AND METHODS Patients were treated surgically for unilateral closed displaced intra-articular calcaneal fractures from May 2014 to October 2016 were identified. The Bohler’s angles of bilateral calcaneus were measured and was compared to the dimension of the uninjured foot was used as its normal control. The difference in the value of Bohler’s angle measured preoperatively or after surgery between the angle of the damaged foot and that of the contralateral calcaneus was calculated, respectively. The change in Bohler’s angle by ratio was calculated by dividing the variation in the value of Bohler’s angle between bilateral calcaneus by its typical control. The injury severity was assessed according to Sanders classification. The functional outcomes were assessed using American Orthopaedic Foot and Ankle Society hindfoot scores. RESULTS 30 patients were included into the study with a mean follow-up duration of 30 months. According to Sanders classification, the fracture pattern included 12 type II, 10 type III and 8 type IV fractures. According to American Orthopaedic Foot and Ankle Society hindfoot scoring system, the excellent, good, fair and poor results were achieved in 10, 8, 4 and 2 patients, respectively. The preoperative Bohler’s angle, difference value of Bohler’s angle between bilateral calcaneus and change in Bohler’s angle by ratio each has a significant relationship with Sanders classification (P=0.003; P=0.004; P=0.005, respectively, however, is not correlated with

  20. Universal time-dependence of the mean-square displacement in extremely rugged energy landscapes with equal minima

    DEFF Research Database (Denmark)

    Dyre, Jeppe; Jacobsen, Jacob M.

    1995-01-01

    This paper presents a calculation of the time dependence of the mean-square displacement for symmetric random energy barrier hopping models at low temperatures, where the frequency dependence of the normalized diffusion constant D-tilde becomes universal, i.e., independent of the energy barrier...... probability distribution [J. C. Dyre, Phys. Rev. B 49, 11 709 (1994)]. The universal time dependence of the mean-square displacement is calculated from the effective medium approximation (EMA) universality equation, D-tilde lnD-tilde=s-tilde, where s-tilde is the dimensionless imaginary frequency, as well...... as for the approximation to the EMA universality equation D-tilde~=s-tilde/ln(1+s-tilde). At long times the universal mean-square displacement is linear in time, corresponding to ordinary diffusion, whereas the mean-square displacement at short times t in dimensionless units varies as 2/ln(t-1)....

  1. The Energy and Water Emergency Module; A containerized solution for meeting the energy and water needs in protracted displacement situations

    International Nuclear Information System (INIS)

    Fuso Nerini, Francesco; Valentini, Francesco; Modi, Anish; Upadhyay, Govinda; Abeysekera, Muditha; Salehin, Sayedus; Appleyard, Eduardo

    2015-01-01

    Highlights: • Energy and water services are a key need in long-term displacement situations. • At present electricity is supplied mostly with diesel generators and water is imported. • On-site electricity and clean water production can decrease costs and increase security. • The proposed containerized solution produces electricity and purifies water locally. • Model results show the cost-competitiveness and technical potential of the solution. - Abstract: The world has faced many natural and man-made disasters in the past few years, resulting in millions of people living in temporary camps across the globe. The energy and clean water needs of the relief operators in such emergency situations are primarily satisfied by diesel engine based generators and importing clean water to the site, in certain cases even for several years after the emergency. This approach results in problems such as low security of supply and high costs. Especially targeting the prolonged displacement situations, this paper presents an alternative solution – the Energy and Water Emergency Module. The proposed solution aims towards reducing the dependency on fossil fuel in prolonged emergency situations to a minimum while including local energy sources in the energy supply in a flexible and reliable way. The proposed module is built in a standard 20 ft container, and encompasses hybrid generation from solar, wind and biomass, with the possibility of using fossil sources too thanks to a dual fuel gas engine. The module can work both in grid connected and stand-alone mode. In addition the module includes a water purification unit to meet the water needs of displaced population. A demonstration unit was assembled at the Royal Institute of Technology in Stockholm during the year 2012 as a ‘concept proof’, and is now being tested and optimized for future deployment on the field. Preliminary testing and modelling shows that the proposed solution can reliably support emergency

  2. Control of a 420 KN Discrete Displacement Cylinder Drive for the Wavestar Wave Energy Converter

    DEFF Research Database (Denmark)

    Hansen, Rico H.; Andersen, Torben Ole; Pedersen, Henrik C.

    2014-01-01

    absorbers. The system is implemented using multi-chambered cylinders, where the different chambers may be switched between three pressure lines using a manifold with fast on/off valves. Resultantly, a Discrete Displacement Cylinder (DDC) is obtained, where force control is implemented by shifting between...... different area/pressure combinations. Currently, a 420 kN DDC prototype has been implemented and tested at the newly commissioned full size wave energy testbench at Aalborg University. The initial design and control of the DDC had poorly damped switching transients. These issues treated in this paper....... This leads to a new control, which gives a smooth operating DDC, while meeting the requirements to the efficiency of the drive....

  3. Nonlocal kinetic energy functionals by functional integration

    Science.gov (United States)

    Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

    2018-05-01

    Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

  4. Non-operative treatment of displaced distal radius fractures leads to acceptable functional outcomes, however at the expense of 40% subsequent surgeries

    NARCIS (Netherlands)

    Mulders, M. A. M.; van Eerten, P. V.; Goslings, J. C.; Schep, N. W. L.

    2017-01-01

    Background: Although secondary displacement following closed reduction and plaster immobilisation is high, several guidelines still recommend non-operative treatment for displaced distal radius fractures with an adequate closed reduction. Purpose: The purpose of this study was to evaluate functional

  5. Stresses and Displacements in Functionally Graded Materials of Semi-Infinite Extent Induced by Rectangular Loadings

    Directory of Open Access Journals (Sweden)

    Zhong-Qi Yue

    2012-01-01

    Full Text Available This paper presents the stress and displacement fields in a functionally graded material (FGM caused by a load. The FGM is a graded material of Si3N4-based ceramics and is assumed to be of semi-infinite extent. The load is a distributed loading over a rectangular area that is parallel to the external surface of the FGM and either on its external surface or within its interior space. The point-load analytical solutions or so-called Yue’s solutions are used for the numerical integration over the distributed loaded area. The loaded area is discretized into 200 small equal-sized rectangular elements. The numerical integration is carried out with the regular Gaussian quadrature. Weak and strong singular integrations encountered when the field points are located on the loaded plane, are resolved with the classical methods in boundary element analysis. The numerical integration results have high accuracy.

  6. An accurate higher order displacement model with shear and normal deformations effects for functionally graded plates

    International Nuclear Information System (INIS)

    Jha, D.K.; Kant, Tarun; Srinivas, K.; Singh, R.K.

    2013-01-01

    Highlights: • We model through-thickness variation of material properties in functionally graded (FG) plates. • Effect of material grading index on deformations, stresses and natural frequency of FG plates is studied. • Effect of higher order terms in displacement models is studied for plate statics. • The benchmark solutions for the static analysis and free vibration of thick FG plates are presented. -- Abstract: Functionally graded materials (FGMs) are the potential candidates under consideration for designing the first wall of fusion reactors with a view to make best use of potential properties of available materials under severe thermo-mechanical loading conditions. A higher order shear and normal deformations plate theory is employed for stress and free vibration analyses of functionally graded (FG) elastic, rectangular, and simply (diaphragm) supported plates. Although FGMs are highly heterogeneous in nature, they are generally idealized as continua with mechanical properties changing smoothly with respect to spatial coordinates. The material properties of FG plates are assumed here to vary through thickness of plate in a continuous manner. Young's modulii and material densities are considered to be varying continuously in thickness direction according to volume fraction of constituents which are mathematically modeled here as exponential and power law functions. The effects of variation of material properties in terms of material gradation index on deformations, stresses and natural frequency of FG plates are investigated. The accuracy of present numerical solutions has been established with respect to exact three-dimensional (3D) elasticity solutions and the other models’ solutions available in literature

  7. Microscopically Based Nuclear Energy Functionals

    International Nuclear Information System (INIS)

    Bogner, S. K.

    2009-01-01

    A major goal of the SciDAC project 'Building a Universal Nuclear Energy Density Functional' is to develop next-generation nuclear energy density functionals that give controlled extrapolations away from stability with improved performance across the mass table. One strategy is to identify missing physics in phenomenological Skyrme functionals based on our understanding of the underlying internucleon interactions and microscopic many-body theory. In this contribution, I describe ongoing efforts to use the density matrix expansion of Negele and Vautherin to incorporate missing finite-range effects from the underlying two- and three-nucleon interactions into phenomenological Skyrme functionals.

  8. A molecular dynamics study of high-energy displacement cascades in α-zirconium

    International Nuclear Information System (INIS)

    Wooding, S.J.; Howe, L.M.; Gao, F.; Calder, A.F.; Bacon, D.J.

    1998-01-01

    The damage produced in α-zirconium at 100 K by displacement cascades with energy, E p , up to 20 keV has been investigated by molecular dynamics using a many-body interatomic potential. The results are compared with similar data for cascades of energy up to 10 keV in α-titanium. The production efficiency of Frenkel pairs falls to about 25% of the NRT value as E p rises above 10 keV in zirconium, and to about 30% at 10 keV in titanium. The power-law dependence of the number of Frenkel pairs, N F , on E p found previously is obeyed, i.e., N F = A(E p ) m . Interstitial and vacancy clusters with sizes of the same order are created in the cascade process, and clusters containing up to 25 interstitials and 30 vacancies were formed in zirconium by 20 keV cascades. Two thirds of the SIAs are produced in clusters in zirconium at high cascade energy. Most interstitial clusters have dislocation character with perfect Burgers vectors of the form 1/3(11 2 - 0), but a few metastable clusters are formed and are persistent over the timescale of MD simulations. Collapse of the 30-vacancy cluster to a faulted loop on the prism plane was found to occur over a period of more than 100 ps. Annealing over this timescale has a stronger effect on the number and clustering of defects in cascades that are dispersed over a large region of crystal than in cascades that form a compact region of damage. (author)

  9. Effects of vacancies on atom displacement threshold energy calculations through Molecular Dynamics Methods in BaTiO3

    Science.gov (United States)

    Gonzalez Lazo, Eduardo; Cruz Inclán, Carlos M.; Rodríguez Rodríguez, Arturo; Guzmán Martínez, Fernando; Abreu Alfonso, Yamiel; Piñera Hernández, Ibrahin; Leyva Fabelo, Antonio

    2017-09-01

    A primary approach for evaluating the influence of point defects like vacancies on atom displacement threshold energies values Td in BaTiO3 is attempted. For this purpose Molecular Dynamics Methods, MD, were applied based on previous Td calculations on an ideal tetragonal crystalline structure. It is an important issue in achieving more realistic simulations of radiation damage effects in BaTiO3 ceramic materials. It also involves irradiated samples under severe radiation damage effects due to high fluency expositions. In addition to the above mentioned atom displacement events supported by a single primary knock-on atom, PKA, a new mechanism was introduced. It corresponds to the simultaneous excitation of two close primary knock-on atoms in BaTiO3, which might take place under a high flux irradiation. Therefore, two different BaTiO3 Td MD calculation trials were accomplished. Firstly, single PKA excitations in a defective BaTiO3 tetragonal crystalline structure, consisting in a 2×2×2 BaTiO3 perovskite like super cell, were considered. It contains vacancies on Ba and O atomic positions under the requirements of electrical charge balance. Alternatively, double PKA excitations in a perfect BaTiO3 tetragonal unit cell were also simulated. On this basis, the corresponding primary knock-on atom (PKA) defect formation probability functions were calculated at principal crystal directions, and compared with the previous one we calculated and reported at an ideal BaTiO3 tetrahedral crystal structure. As a general result, a diminution of Td values arises in present calculations in comparison with those calculated for single PKA excitation in an ideal BaTiO3 crystal structure.

  10. Molecular dynamics study on threshold displacement energies in Fe-Cr alloys

    Science.gov (United States)

    Fu, Jiawei; Ding, Wenyi; Zheng, Mingjie; Mao, Xiaodong

    2018-03-01

    The threshold displacement energies (Ed) of Fe and Cr atoms in Fe-Cr alloys with Cr contents ranging from 0% to 21% have been obtained with molecular dynamics (MD) method. The values of Ed have been calculated along the three high-symmetry crystallographic directions [0 0 1], [0 1 1] and [1 1 1], a slightly 2° tilt from these directions, and a high-index crystallographic directions [1 3 5]. The results showed that [0 1 1] crystallographic direction had the highest Ed among the three high-symmetry directions in each Cr content alloy. Fe-9Cr had higher weighted average Ed than the other Cr content alloys for both Fe and Cr PKA due to its statistically high Ed along the [0 1 1] crystallographic direction up to 44.3 eV. And the statistical analysis on the primary damage configuration demonstrated that 〈1 1 0〉Fe-Fe dumbbells were the dominant defect structures after relaxation. These data can enrich the database of Ed in Fe-Cr alloys and have potential applications in guiding the optimization design of radiation-resistant RAFM steels.

  11. An accurate higher order displacement model with shear and normal deformations effects for functionally graded plates

    Energy Technology Data Exchange (ETDEWEB)

    Jha, D.K., E-mail: dkjha@barc.gov.in [Civil Engineering Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Kant, Tarun [Department of Civil Engineering, Indian Institute of Technology Bombay, Powai, Mumbai 400 076 (India); Srinivas, K. [Civil Engineering Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Singh, R.K. [Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2013-12-15

    Highlights: • We model through-thickness variation of material properties in functionally graded (FG) plates. • Effect of material grading index on deformations, stresses and natural frequency of FG plates is studied. • Effect of higher order terms in displacement models is studied for plate statics. • The benchmark solutions for the static analysis and free vibration of thick FG plates are presented. -- Abstract: Functionally graded materials (FGMs) are the potential candidates under consideration for designing the first wall of fusion reactors with a view to make best use of potential properties of available materials under severe thermo-mechanical loading conditions. A higher order shear and normal deformations plate theory is employed for stress and free vibration analyses of functionally graded (FG) elastic, rectangular, and simply (diaphragm) supported plates. Although FGMs are highly heterogeneous in nature, they are generally idealized as continua with mechanical properties changing smoothly with respect to spatial coordinates. The material properties of FG plates are assumed here to vary through thickness of plate in a continuous manner. Young's modulii and material densities are considered to be varying continuously in thickness direction according to volume fraction of constituents which are mathematically modeled here as exponential and power law functions. The effects of variation of material properties in terms of material gradation index on deformations, stresses and natural frequency of FG plates are investigated. The accuracy of present numerical solutions has been established with respect to exact three-dimensional (3D) elasticity solutions and the other models’ solutions available in literature.

  12. Charge-dependent and A-dependent effects in isotope shifts of Coulomb displacement energies

    International Nuclear Information System (INIS)

    Sherr, R.

    1977-01-01

    Coulomb displacement energies in a series of isotopes generally decrease with A. This decrease can arise from an increase with A of the average distance of interaction between pairs of protons. In the shell model a decrease can also result from charge-independence-breaking effects if the neutron-proton interaction for the valence nucleons is more attractive than the neutron-neutron interaction. Using the model recently proposed by Sherr and Talmi for the 1d/sub 3/2/ shell, existing data for this shell and also the 1d/sub 5/2/ and 1f/sub 7/2/ shells were analyzed allowing all matrix elements to vary as A/sup -lambda/3/. Least squares calculations of the rms deviation sigma were carried out for varying values of lambda from -2 to +2. It was found that although there was a minimum in sigma vs lambda it was too shallow to exclude any lambda for -1 to +1 in the 1d/sub 3/2/ and 1f/sub 7/2/ shells or 0 to +1 in the 1d/sub 5/2/ shell. It is therefore not possible to distinguish between A dependence and charge dependence in this model. The magnitude of the latter as expressed in terms of (np-nn) matrix elements depends strongly on the former. As lambda increases from -1 to +1, these (np-nn) matrix elements decrease roughly linearly in absolute magnitude and eventually change sign. For lambda = 0 they have appreciable and reasonable magnitudes for the 1d/sub 3/2/ and 1f/sub 7/2/ shells but for the 1d/sub 5/2/ shell the values are too small to be considered significant

  13. Surface displacements and energy release rates for constant stress drop slip zones in joined elastic quarter spaces

    Science.gov (United States)

    Rodgers, Michael J.; Wen, Shengmin; Keer, Leon M.

    2000-08-01

    A three-dimensional quasi-static model of faulting in an elastic half-space with a horizontal change of material properties (i.e., joined elastic quarter spaces) is considered. A boundary element method is used with a stress drop slip zone approach so that the fault surface relative displacements as well as the free surface displacements are approximated in elements over their respective domains. Stress intensity factors and free surface displacements are calculated for a variety of cases to show the phenomenological behavior of faulting in such a medium. These calculations showed that the behavior could be distinguished from a uniform half-space. Slip in a stiffer material increases, while slip in a softer material decreases the energy release rate and the free surface displacements. Also, the 1989 Kalapana earthquake was located on the basis of a series of forward searches using this method and leveling data. The located depth is 8 km, which is the closer to the seismically inferred depth than that determined from other models. Finally, the energy release rate, which can be used as a fracture criterion for fracture at this depth, is calculated to be 11.1×106 J m-2.

  14. A Molecular dynamics study of helium bubble stability during high-energy displacement cascades in alpha-iron

    International Nuclear Information System (INIS)

    Pu, Jin; Yang, Li; Zu, Xiaotao; Gao, Fei

    2007-01-01

    The interactions of high-energy displacement cascades with helium bubbles in a-Fe are investigated using molecular dynamics simulations. Initial bubbles with the volumes of 212 and 636 (angstrom)3 are considered, and the helium-to-vacancy (He/V) ratio in the bubbles varies from 0.5 to 3. Primary knock-on atom (PKA) energy, Ep, is up to 40 keV. The results show that the change of nm-sized He bubbles due to displacement cascade does not depend much on the bubble size, but rather on the He/V ratio and the recoil energy. For the initial He/V ratio less than 1, the size of the bubbles decreases with increasing PKA energy, but the He/V ratio increases. However, for the initial He/V ratio of 3, the size of the bubbles increases, and the He/V ratio decreases with PKA energy. For the initial He/V ratio of 1, the ratio of the small bubble decreases slightly, but the ratio of the large bubble remains unchanged for lower PKA energy, and increases slightly for higher PKA energy. The reasons for these observed phenomena have been explained

  15. Energy functions for regularization algorithms

    Science.gov (United States)

    Delingette, H.; Hebert, M.; Ikeuchi, K.

    1991-01-01

    Regularization techniques are widely used for inverse problem solving in computer vision such as surface reconstruction, edge detection, or optical flow estimation. Energy functions used for regularization algorithms measure how smooth a curve or surface is, and to render acceptable solutions these energies must verify certain properties such as invariance with Euclidean transformations or invariance with parameterization. The notion of smoothness energy is extended here to the notion of a differential stabilizer, and it is shown that to void the systematic underestimation of undercurvature for planar curve fitting, it is necessary that circles be the curves of maximum smoothness. A set of stabilizers is proposed that meet this condition as well as invariance with rotation and parameterization.

  16. Total average diastolic longitudinal displacement by colour tissue doppler imaging as an assessment of diastolic function

    DEFF Research Database (Denmark)

    de Knegt, Martina Chantal; Biering-Sørensen, Tor; Søgaard, Peter

    2016-01-01

    BACKGROUND: The current method for a non-invasive assessment of diastolic dysfunction is complex with the use of algorithms of many different echocardiographic parameters. Total average diastolic longitudinal displacement (LD), determined by colour tissue Doppler imaging (TDI) via the measurement...

  17. Calculations of atomic sputtering and displacement cross-sections in solid elements by electrons with energies from threshold to 1.5 MV

    International Nuclear Information System (INIS)

    Bradley, C.R.

    1988-12-01

    The kinetics of knock-on collisions of relativistic electrons with nuclei and details of the numerical evaluation of differential, recoil, and total Mott cross-sections are reviewed and discussed. The effects of electron beam induced displacement and sputtering, in the transmission electron microscope (TEM) environment, on microanalysis are analyzed with particular emphasis placed on the removal of material by knock-on sputtering. The mass loss predicted due to transmission knock-on sputtering is significant for many elements under conditions frequently encountered in microanalysis. Total Mott cross-sections are tabulated for all naturally occurring solid elements up to Z = 92 at displacement energies of one, two, four, and five times the sublimation energy and for accelerating voltages accessible in the transmission electron microscope. Fortran source code listings for the calculation of the differential Mott cross-section as a function of electron scattering angle (dMottCS), as a function of nuclear recoil angle (RECOIL), and the total Mott cross-section (TOTCS) are included. 48 refs., 21 figs., 12 tabs

  18. Displacing use

    DEFF Research Database (Denmark)

    Kelly, Janet; Matthews, Ben

    2014-01-01

    -centred design process. We identified alternative design-relevant relationships between people and devices that are not specifically tied to the functions/uses of the devices, e.g. relationships between the healthcare professional and the device, between doctors and patients, and between patients and their own......This paper critically discusses the concept of use in design, suggesting that relevant relationships other than use are sometimes obscured by the usercentredness of design processes. We present a design case from the medical device domain that displaced the concept of use from the centre of a human...

  19. Minimal nuclear energy density functional

    Science.gov (United States)

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; Perez, Rodrigo Navarro; Schunck, Nicolas

    2018-04-01

    We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ɛr=0.022 fm and a standard deviation σr=0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body (NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.

  20. Discrete Displacement Hydraulic Power Take-Off System for the Wavestar Wave Energy Converter

    DEFF Research Database (Denmark)

    Hansen, Rico Hjerm; Kramer, Morten; Vidal, Enrique

    2013-01-01

    . This is achieved by using special multi-chambered cylinders, where the different chambers may be connected to the available system pressures using fast on/off valves. Resultantly, a Discrete Displacement Cylinder (DDC) is created, allowing near loss free discrete force control. This paper presents a complete PTO...... system for a 20 float Wavestar based on the DDC. The WEC and PTO is rigorously modeled from incident waves to the electric output to the grid. The resulting model of +600 states is simulated in different irregular seas, showing that power conversion efficiencies above 70% from input power to electrical...

  1. Neutron displacement cross-sections for tantalum and tungsten at energies up to 1 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Broeders, C.H.M. [Institut fuer Reaktorsicherheit, Forschungszentrum Karlsruhe GmbH, Postfach 3640, 76021 Karlsruhe (Germany)]. E-mail: cornelis.broeders@irs.fzk.de; Konobeyev, A.Yu. [Institut fuer Reaktorsicherheit, Forschungszentrum Karlsruhe GmbH, Postfach 3640, 76021 Karlsruhe (Germany); Institute of Nuclear and Power Engineering, 249020 Obninsk (Russian Federation); Villagrasa, C. [Institut fuer Reaktorsicherheit, Forschungszentrum Karlsruhe GmbH, Postfach 3640, 76021 Karlsruhe (Germany)

    2005-06-30

    The neutron displacement cross-section has been evaluated for tantalum and tungsten at energies from 10{sup -5} eV up to 1 GeV. The nuclear optical model, the intranuclear cascade model combined with the pre-equilibrium and evaporation models were used for the calculations. The number of defects produced by recoil atoms nuclei in materials was calculated by the Norgett, Robinson, Torrens model and by the approach combining calculations using the binary collision approximation model and the results of the molecular dynamics simulation. The numerical calculations were done using the NJOY code, the ECIS96 code, the MCNPX code and the IOTA code.

  2. Collision and displacement vulnerability among marine birds of the California Current System associated with offshore wind energy infrastructure

    Science.gov (United States)

    Adams, Josh; Kelsey, Emily C.; Felis, Jonathan J.; Pereksta, David M.

    2016-10-27

    With growing climate change concerns and energy constraints, there is an increasing need for renewable energy sources within the United States and globally. Looking forward, offshore wind-energy infrastructure (OWEI) has the potential to produce a significant proportion of the power needed to reach our Nation’s renewable energy goal. Offshore wind-energy sites can capitalize open areas within Federal waters that have persistent, high winds with large energy production potential. Although there are few locations in the California Current System (CCS) where it would be acceptable to build pile-mounted wind turbines in waters less than 50 m deep, the development of technology able to support deep-water OWEI (>200 m depth) could enable wind-energy production in the CCS. As with all human-use of the marine environment, understanding the potential impacts of wind-energy infrastructure on the marine ecosystem is an integral part of offshore wind-energy research and planning. Herein, we present a comprehensive database to quantify marine bird vulnerability to potential OWEI in the CCS (see https://doi.org/10.5066/F79C6VJ0). These data were used to quantify marine bird vulnerabilities at the population level. For 81 marine bird species present in the CCS, we created three vulnerability indices: Population Vulnerability, Collision Vulnerability, and Displacement Vulnerability. Population Vulnerability was used as a scaling factor to generate two comprehensive indicies: Population Collision Vulnerability (PCV) and Population Displacement Vulnerability (PDV). Within the CCS, pelicans, terns (Forster’s [Sterna forsteri], Caspian [Hydroprogne caspia], Elegant [Thalasseus elegans], and Least Tern [Sternula antillarum]), gulls (Western [Larus occidentalis] and Bonaparte’s Gull [Chroicocephalus philadelphia]), South Polar Skua (Stercorarius maccormicki), and Brandt’s Cormorant (Phalacrocorax penicillatus) had the greatest PCV scores. Brown Pelican (Pelicanus occidentalis

  3. [Intramedullary stabilisation of displaced midshaft clavicular fractures: does the fracture pattern (simple vs. complex) influence the anatomic and functional result].

    Science.gov (United States)

    Langenhan, R; Reimers, N; Probst, A

    2014-12-01

    Displaced midshaft clavicular fractures are often treated operatively. The most common way of treatment is plating. Elastic stable intramedullary nailing (ESIN) is an alternative, but seldom used. Studies showed comparable or even better results for intramedullary nailing than for plating in simple 2- or 3-fragment midshaft fractures. The indication of ESIN for multifragmentary clavicular fractures is discussed critically in the literature because of reduced primary stability and danger of secondary shortening. Until now only few studies report functional results after fracture healing depending on the fracture type. To the best of our knowledge there is no study showing significantly worse functional scores for ESIN in complex displaced midshaft fractures. The objective of this study was to examine anatomic and functional results of simple (2 or 3 fragments, OTA type 15B1 and 15B2) and complex (multifragmentary, OTA type 15B3) displaced midshaft clavicula fractures after internal fixation. Between 2009 and 2012, 40 patients (female/male 10/30; mean age 33 [16-60] years) with closed displaced midshaft clavicular fractures were treated by open reduction and ESIN (Titanium Elastic Nail [TEN], Synthes, Umkirch, Germany). Thirty-seven patients were retrospectively analysed after a mean of 27 (12-43) months. Twenty patients (group A) had simple fractures (OTA type 15B1 and 15B2), 17 patients (group B) had complex fractures (OTA type 15B3). All shoulder joints were postoperatively treated functionally for six weeks without weight limited to 90° abduction/flexion. Both groups were comparable in gender, age, body mass index, months until metal removal, number of physiotherapy sessions and time until follow-up examination. Joint function (neutral zero method) and strength (standing patient with arm in 90° abduction, holding 1-12 kg for 5 sec) in both shoulders were documented. The distance between the centre of the jugulum and the lateral acromial border was measured for

  4. Computer simulation study of the displacement threshold-energy surface in Cu

    International Nuclear Information System (INIS)

    King, W.E.; Benedek, R.

    1981-01-01

    Computer simulations were performed using the molecular-dynamics technique to determine the directional dependence of the threshold energy for production of stable Frenkel pairs in copper. Sharp peaks were observed in the simulated threshold energy surface in between the low-index directions. Threshold energies ranged from approx.25 eV for directions near or to 180 eV at the position of the peak between and . The general topographical features of the simulated threshold-energy surface are in good agreement with those determined from an analysis of recent experiments by King et al. on the basis of a Frenkel-pair resistivity rho/sub F/ = 2.85 x 10 -4 Ω cm. Evidence is presented in favor of this number as opposed to the usually assumed value, rho/sub F/ = 2.00 x 10 -4 Ω cm. The energy dependence of defect production in a number of directions was investigated to determine the importance of nonproductive events above threshold

  5. Displacement ventilation

    DEFF Research Database (Denmark)

    Kosonen, Risto; Melikov, Arsen Krikor; Mundt, Elisabeth

    The aim of this Guidebook is to give the state-of-the art knowledge of the displacement ventilation technology, and to simplify and improve the practical design procedure. The Guidebook discusses methods of total volume ventilation by mixing ventilation and displacement ventilation and it gives...... insights of the performance of the displacement ventilation. It also shows practical case studies in some typical applications and the latest research findings to create good local micro-climatic conditions....

  6. Theoretical relation between halo current-plasma energy displacement/deformation in EAST

    Science.gov (United States)

    Khan, Shahab Ud-Din; Khan, Salah Ud-Din; Song, Yuntao; Dalong, Chen

    2018-04-01

    In this paper, theoretical model for calculating halo current has been developed. This work attained novelty as no theoretical calculations for halo current has been reported so far. This is the first time to use theoretical approach. The research started by calculating points for plasma energy in terms of poloidal and toroidal magnetic field orientations. While calculating these points, it was extended to calculate halo current and to developed theoretical model. Two cases were considered for analyzing the plasma energy when flows down/upward to the diverter. Poloidal as well as toroidal movement of plasma energy was investigated and mathematical formulations were designed as well. Two conducting points with respect to (R, Z) were calculated for halo current calculations and derivations. However, at first, halo current was established on the outer plate in clockwise direction. The maximum generation of halo current was estimated to be about 0.4 times of the plasma current. A Matlab program has been developed to calculate halo current and plasma energy calculation points. The main objective of the research was to establish theoretical relation with experimental results so as to precautionary evaluate the plasma behavior in any Tokamak.

  7. On Maxwell's displacement current for energy and sensors: the origin of nanogenerators

    OpenAIRE

    Wang, Zhong Lin

    2017-01-01

    Self-powered system is a system that can sustainably operate without an external power supply for sensing, detection, data processing and data transmission. Nanogenerators were first developed for self-powered systems based on piezoelectric effect and triboelectrification effect for converting tiny mechanical energy into electricity, which have applications in internet of things, environmental/infrastructural monitoring, medical science and security. In this paper, we present the fundamental ...

  8. Facing the fight for the control. Weight displacements through energy market opening

    International Nuclear Information System (INIS)

    Frey, D. C.

    1999-01-01

    On February 19, 1999 the European power markets opened, in the framework of the new directives of the European Union. According to a new study by Anderson Consulting the greatest advantage from the energy markets' opening in Europe will be earned probably by the natural-gas industry. Up to the year 2015, 30 to 40% of the electrical power in Europe will be produced from natural gas. Distributors of power and gas are moving towards offering new services [de

  9. Effect of a Selected Physical Exercise on the Development of Displacement Movement Skills in Highly Functional Autistic Children

    Directory of Open Access Journals (Sweden)

    Fatemeh Keyhani

    2014-09-01

    Full Text Available Background: The study is about to examine the effect of the selective physical exercises on the development of displacement skills in High Function Autistic (HFA children. Materials and Methods: In this research, 10 children (7.9±1.4 years among of 33 children with HFA in Sahr-e-Kord city (in Iran based on their pre-test scores randomly were selected. The measuring tool was Test of Gross Motor Development-2000 (TGMD-2. Selected motor program (SPARK motor program in this research includes motor strengthening activities, games and sports for children that were performed for 12 sessions by our subjects. Normal distribution of data checked by K-S test and appropriate statistical Levine's and ANOVA tests (dependent and independent types were used for compare mean values (α=0.05. Results: Twelfth sessions of selected physical exercises training in experiment group made significant differences in some research variables but it was not the case for the control group. There were significant differences in running (p=0.002, trotting (p=0.08, jumping (p=0.002 and gliding (p=0.004 and there were non-significant differences in hop (p=0.035 and leaping (p=0.02. Conclusion: According to the results of this research we suggest that the selected physical exercise programs that derived from SPARK motor program can improve displacement motor skills in children with HFA.

  10. Energy dissipation unveils atomic displacement in the noncontact atomic force microscopy imaging of Si(111 )-(7 ×7 )

    Science.gov (United States)

    Arai, Toyoko; Inamura, Ryo; Kura, Daiki; Tomitori, Masahiko

    2018-03-01

    The kinetic energy of the oscillating cantilever of noncontact atomic force microscopy (nc-AFM) at room temperature was considerably dissipated over regions between a Si adatom and its neighboring rest atom for Si(111 )-(7 ×7 ) in close proximity to a Si tip on the cantilever. However, nc-AFM topographic images showed no atomic features over those regions, which were the hollow sites of the (7 ×7 ). This energy dissipation likely originated from displacement of Si adatoms with respect to the tip over the hollow sites, leading to a lateral shift of the adatoms toward the rest atom. This interaction led to hysteresis over each cantilever oscillation cycle; when the tip was retracted, the Si adatom likely returned to its original position. To confirm the atomic processes involved in the force interactions through Si dangling bonds, the Si(111 )-(7 ×7 ) surface was partly terminated with atomic hydrogen (H) and examined by nc-AFM. When the Si adatoms and/or the rest atoms were terminated with H, the hollow sites were not bright (less dissipation) in images of the energy dissipation channels by nc-AFM. The hollow sites acted as metastable sites for Si adatoms in surface diffusion and atom manipulation; thus, the dissipation energy which is saturated on the tip likely corresponds to the difference in the potential energy between the hollow site and the Si adatom site. In this study, we demonstrated the ability of dissipation channels of nc-AFM to enable visualization of the dynamics of atoms and molecules on surfaces, which cannot be revealed by nc-AFM topographic images alone.

  11. Charge-transfer energy in the water-hydrogen molecular aggregate revealed by molecular-beam scattering experiments, charge displacement analysis, and ab initio calculations.

    Science.gov (United States)

    Belpassi, Leonardo; Reca, Michael L; Tarantelli, Francesco; Roncaratti, Luiz F; Pirani, Fernando; Cappelletti, David; Faure, Alexandre; Scribano, Yohann

    2010-09-22

    Integral cross-section measurements for the system water-H(2) in molecular-beam scattering experiments are reported. Their analysis demonstrates that the average attractive component of the water-H(2) intermolecular potential in the well region is about 30% stronger than dispersion and induction forces would imply. An extensive and detailed theoretical analysis of the electron charge displacement accompanying the interaction, over several crucial sections of the potential energy surface (PES), shows that water-H(2) interaction is accompanied by charge transfer (CT) and that the observed stabilization energy correlates quantitatively with CT magnitude at all distances. Based on the experimentally determined potential and the calculated CT, a general theoretical model is devised which reproduces very accurately PES sections obtained at the CCSD(T) level with large basis sets. The energy stabilization associated with CT is calculated to be 2.5 eV per electron transferred. Thus, CT is shown to be a significant, strongly stereospecific component of the interaction, with water functioning as electron donor or acceptor in different orientations. The general relevance of these findings for water's chemistry is discussed.

  12. Complications and functional outcome after internal fixation of dorsally displaced distal radial fractures

    DEFF Research Database (Denmark)

    Bove, Jeppe; Viberg, Bjarke; Wied Greisen, Pernille

    Background: Recently there has been an increasing interest in open reduction and internal fixation of distal radius fractures. Even so further studies are still needed. Purpose: To document the functional outcome and identify complica- tions among patients treated with a volar locking plate (DVR...

  13. Displacement Ventilation

    DEFF Research Database (Denmark)

    Nielsen, Peter Vilhelm

    Displacement ventilation is an interesting new type of air distribution principle which should be considered in connection with design of comfort ventilation in both smal1 and large spaces. Research activities on displacement ventilation are large all over the world and new knowledge of design...... methods appears continuously. This book gives an easy introduction to the basis of displacement ventilation and the chapters are written in the order which is used in a design procedure. The main text is extended by five appendices which show some of the new research activities taking place at Aalborg...

  14. Computer simulation of displacement cascades in copper

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1983-06-01

    More than 500 displacement cascades in copper have been generated with the computer simulation code MARLOWE over an energy range pertinent to both fission and fusion neutron spectra. Three-dimensional graphical depictions of selected cascades, as well as quantitative analysis of cascade shapes and sizes and defect densities, illustrate cascade behavior as a function of energy. With increasing energy, the transition from production of single compact damage regions to widely spaced multiple damage regions is clearly demonstrated

  15. Comparing fracture healing disorders and long-term functional outcome of polytrauma patients and patients with an isolated displaced midshaft clavicle fracture

    NARCIS (Netherlands)

    Ferree, Steven; Hietbrink, Falco; van der Meijden, Olivier A J; Verleisdonk, Egbert Jan M M; Leenen, Luke P.H.; Houwert, Roderick M.

    2017-01-01

    Background Although clavicle fractures are a common injury in polytrauma patients, the functional outcome of displaced midshaft clavicle fractures (DMCFs) in this population is unknown. Our hypothesis was that there would be no differences in fracture healing disorders or functional outcome in

  16. Potential energy function of CN-

    Czech Academy of Sciences Publication Activity Database

    Špirko, Vladimír; Polák, Rudolf

    2008-01-01

    Roč. 248, č. 1 (2008), s. 77-80 ISSN 0022-2852 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550511; GA AV ČR IAA400400504 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : potential energy curve * fundamental transition * spectroscopic constants Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.636, year: 2008

  17. Estimation of uncertainties of displacement cross-sections for iron and tungsten at neutron irradiation energies above 0.1 MeV

    International Nuclear Information System (INIS)

    Konobeyev, A.Yu.; Fischer, U.; Simakov, S.P.

    2016-01-01

    The goal of this work is the evaluation of uncertainties of calculated atomic displacement cross sections for iron and tungsten irradiated with neutrons. Uncertainties were analysed for neutron incident energies above 0.1 MeV, which make the main contribution to the value of radiation damage rate for different types of nuclear or fusion reactors and neutron sources

  18. A Dual Function Energy Store

    Directory of Open Access Journals (Sweden)

    Ron Tolmie

    2014-11-01

    Full Text Available Heat can be collected from local energy sources and concentrated into a relatively small volume, and at a useful working temperature, by using a heat pump as the concentrator. That heat can be stored and utilized at a later date for applications like space heating. The process is doing two things at the same time: storing heat and shifting the power demand. The concentration step can be done at night when there is normally a surplus of power and its timing can be directly controlled by the power grid operator to ensure that the power consumption occurs only when adequate power is available. The sources of heat can be the summer air, the heat extracted from buildings by their cooling systems, natural heat from the ground or solar heat, all of which are free, abundant and readily accessible. Such systems can meet the thermal needs of buildings while at the same time stabilizing the grid power demand, thus reducing the need for using fossil-fuelled peaking power generators. The heat pump maintains the temperature of the periphery at the ambient ground temperature so very little energy is lost during storage.

  19. Does femoral offset recover and affect the functional outcome of patients with displaced femoral neck fracture following hemiarthroplasty?

    Science.gov (United States)

    Ji, Hyung-Min; Won, Seok-Hyung; Han, Jun; Won, Ye-Yeon

    2017-06-01

    Restoring preoperative horizontal femoral offset (FO) promised good functional outcome in patients receiving total hip arthroplasty. However, relatively little was known regarding the clinical relevance of restoring the offset in patients with bipolar hemiarthroplasty to treat displaced femoral neck fracture. Therefore, the objective of this study was to evaluate postoperative FO accurately and verify its relation with functional outcome. One hundred elderly patients who received bipolar hemiarthroplasty to treat displaced femoral neck fracture were identified. Preoperative CT scanning of contralateral hip joint and reconstruction of images led to rotation-free FO. By referencing postoperative implant specification and comparing to measured values in Picture Archive and Communication System, rotation-free postoperative FO and the amount of change were acquired. Postoperative Harris Hip Score (HHS) and Modified Barthel Index (MBI) were evaluated to measure functional outcome at 12-month after the surgery. Patients with significant FO change were identified. Multiple regression analysis was conducted to determine if the FO change might independently affect the outcome regardless of confounding factors. The mean preoperative offset was 37.4±2.5 increased by 12.7±9.6% after the surgery. Only 25.0% of postoperative offset after hemiarthroplasty was changed within ±5% of preoperative offset. A total of 45.0% of postoperative offset changed within ±10% while 77.0% of postoperative offset changed within ±20%. 23% of patients whose FO changed more than 20% showed significantly worse outcome score than the patients whose FO change remained within ±20% of initial value. Mean MBI and HHS were negatively correlated with FO change. After adjusting for confounding factors, significant correlation remained between modification of FO and MBI, but not between FO change and HHS (B=4.576; β=0.235; 95% confidence interval of B: 0.534 to 8.135). FO was not properly restored in 23

  20. Universal Nuclear Energy Density Functional

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, Joseph; Furnstahl, Richard; Horoi, Mihai; Lusk, Rusty; Nazarewicz, Witold; Ng, Esmond; Thompson, Ian; Vary, James

    2012-12-01

    An understanding of the properties of atomic nuclei is crucial for a complete nuclear theory, for element formation, for properties of stars, and for present and future energy and defense applications. During the period of Dec. 1 2006 – Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. Until recently such an undertaking was hard to imagine, and even at the present time such an ambitious endeavor would be far beyond what a single researcher or a traditional research group could carry out.

  1. Building a universal nuclear energy density functional

    International Nuclear Information System (INIS)

    Bertsch, G F

    2007-01-01

    This talk describes a new project in SciDAC II in the area of low-energy nuclear physics. The motivation and goals of the SciDAC are presented as well as an outline of the theoretical and computational methodology that will be employed. An important motivation is to have more accurate and reliable predictions of nuclear properties including their binding energies and low-energy reaction rates. The theoretical basis is provided by density functional theory, which the only available theory that can be systematically applied to all nuclei. However, other methodologies based on wave function methods are needed to refine the functionals and to make applications to dynamic processes

  2. Fermi-Dirac function and energy gap

    OpenAIRE

    Bondarev, Boris

    2013-01-01

    Medium field method is applied for studying valence electron behavior in metals. When different wave-vector electrons are attracted at low temperatures, distribution function gets discontinued. As a result, a specific energy gap occurs.

  3. A framework for siting and dispatch of emerging energy resources to realize environmental and health benefits: Case study on peaker power plant displacement

    International Nuclear Information System (INIS)

    Krieger, Elena M.; Casey, Joan A.; Shonkoff, Seth B.C.

    2016-01-01

    Emerging grid resources such as energy storage and demand response have the potential to provide numerous environmental and societal benefits, but are primarily sited and operated to provide grid-specific services without optimizing these co-benefits. We present a four-metric framework to identify priority regions to deploy and dispatch these technologies to displace marginal grid air emissions with high environmental and health impacts. To the standard metrics of total mass and rate of air pollutant emissions we add location and time, to prioritize emission displacement near densely populated areas with poor air quality, especially at times when air pollutant concentrations exceed regulatory standards. We illustrate our framework with a case study using storage, demand response, and other technologies to displace peaker power plants, the highest-rate marginal emitters on the California grid. We combine spatial-temporal data on plant electricity generation, air quality standard exceedance days, and population characteristics available from environmental justice screening tool CalEnviroScreen 2.0 to determine where emissions reductions may have the greatest marginal benefit. This screening approach can inform grid siting decisions, such as storage in lieu of peaker plants in high impact regions, or dispatch protocol, such as triggering demand response instead of peaker plants on poor air quality days. - Highlights: •We develop a health and environmental framework for siting clean energy resources. •Metrics include total mass, time, rate and location of displaced marginal emissions. •Emission displacement is prioritized near dense populations on poor air quality days. •We apply our framework to the displacement of peaker power plant generation in CA. •We identify optimal places and times to site and dispatch storage and demand response.

  4. Economic modelling of energy services: Rectifying misspecified energy demand functions

    International Nuclear Information System (INIS)

    Hunt, Lester C.; Ryan, David L.

    2015-01-01

    estimation of an aggregate energy demand function for the UK with data over the period 1960–2011. - Highlights: • Introduces explicit modelling of demands for energy services • Derives estimable energy demand equations from energy service demands • Demonstrates the implicit misspecification with typical energy demand equations • Empirical implementation using aggregate and individual energy source data • Illustrative empirical example using UK data and energy efficiency modelling

  5. Beam displacement as a function of temperature and turbulence length scale at two different laser radiation wavelengths.

    Science.gov (United States)

    Isterling, William M; Dally, Bassam B; Alwahabi, Zeyad T; Dubovinsky, Miro; Wright, Daniel

    2012-01-01

    Narrow laser beams directed from aircraft may at times pass through the exhaust plume of the engines and potentially degrade some of the laser beam characteristics. This paper reports on controlled studies of laser beam deviation arising from propagation through turbulent hot gases, in a well-characterized laboratory burner, with conditions of relevance to aircraft engine exhaust plumes. The impact of the temperature, laser wavelength, and turbulence length scale on the beam deviation has been investigated. It was found that the laser beam displacement increases with the turbulent integral length scale. The effect of temperature on the laser beam angular deviation, σ, using two different laser wavelengths, namely 4.67 μm and 632.8 nm, was recorded. It was found that the beam deviation for both wavelengths may be semiempirically modeled using a single function of the form, σ=a(b+(1/T)(2))(-1), with two parameters only, a and b, where σ is in microradians and T is the temperature in °C. © 2012 Optical Society of America

  6. Displacement Ventilation

    DEFF Research Database (Denmark)

    Bjørn, Erik; Mattsson, Magnus; Sandberg, Mats

    Full-scale experiments were made in a displacement ventilated room with two breathing thermal manikins to study the effect of movements and breathing on the vertical contaminant distribution, and on the personal exposure of occupants. Concentrations were measured with tracer gas equipment...

  7. New developments on Monte Carlo simulation code for the calculation of Atom Displacements Induced rates by High Energy Electrons in Solid Materials

    International Nuclear Information System (INIS)

    Damiani, Daniela D.; Cruz, Carlos M.; Pinnera, Ibrahin; Abreu, Yamiel; Leyva, Antonio

    2015-01-01

    New developments and simulations on regard to the interactions of incident gamma radiation over solids materials using the MCSAD (Monte Carlo Simulation of Atom Displacement) code are presented. In this code Monte Carlo algorithms are applied in order to sample all electrons and gamma interaction processes occurring during their transport through a solid target, especially those connected to the output of atom displacements events. Particularly, it is calculated the limit angle to elastic scattering for the electrons on a new approach, which allows correctly the splitting of the electron single processes at higher scattering angles. On this way, the probability of single electron scattering processes transferring high recoil atomic energy leading to atom displacement effects is calculated and consequently sampled in the MCSAD code. In addition, it is considered some other new theoretical aspects in order to improve previous versions, like the one concerning the selection of threshold energy for displacements at a given atom site in dependence of the atom recoil direction. (Author)

  8. Axial displacement of abutments into implants and implant replicas, with the tapered cone-screw internal connection, as a function of tightening torque.

    Science.gov (United States)

    Dailey, Bruno; Jordan, Laurence; Blind, Olivier; Tavernier, Bruno

    2009-01-01

    The passive fit of a superstructure on implant abutments is essential to success. One source of error when using a tapered cone-screw internal connection may be the difference between the tightening torque level applied to the abutments by the laboratory technician compared to that applied by the treating clinician. The purpose of this study was to measure the axial displacement of tapered cone-screw abutments into implants and their replicas as a function of the tightening torque level. Twenty tapered cone-screw abutments were selected. Two groups were created: 10 abutments were secured into 10 implants, and 10 abutments were secured into 10 corresponding implant replicas. Each abutment was tightened in increasing increments of 5 Ncm, from 0 Ncm to 45 Ncm, with a torque controller. The length of each sample was measured repeatedly with an Electronic Digital Micrometer. The mean axial displacement for the implant group and the replica group was calculated. The data were analyzed by the Mann-Whitney and Spearman tests. For both groups, there was always an axial displacement of the abutment upon each incremental application of torque. The mean axial displacement values varied between 7 and 12 microm for the implant group and between 6 and 21 microm for the replica group at each 5-Ncm increment. From 0 to 45 Ncm, the total mean axial displacement values were 89 microm for the implant group and 122 microm for the replica group. There was a continuous axial displacement of the abutments into implants and implant replicas when the applied torque was raised from 0 to 45 Ncm. Torque applied above the level recommended by the manufacturer increased the difference in displacement between the two groups.

  9. Nonlocal kinetic-energy-density functionals

    International Nuclear Information System (INIS)

    Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

    1996-01-01

    In this paper we present nonlocal kinetic-energy functionals T[n] within the average density approximation (ADA) framework, which do not require any extra input when applied to any electron system and recover the exact kinetic energy and the linear response function of a homogeneous system. In contrast with previous ADA functionals, these present good behavior of the long-range tail of the exact weight function. The averaging procedure for the kinetic functional (averaging the Fermi momentum of the electron gas, instead of averaging the electron density) leads to a functional without numerical difficulties in the calculation of extended systems, and it gives excellent results when applied to atoms and jellium surfaces. copyright 1996 The American Physical Society

  10. Energy compensation and nutrient displacement following regular consumption of hazelnuts and other energy-dense snack foods in non-obese individuals.

    Science.gov (United States)

    Pearson, Katherine R; Tey, Siew Ling; Gray, Andrew R; Chisholm, Alexandra; Brown, Rachel C

    2017-04-01

    Regular nut consumption reduces cardiovascular disease risk, partly from improvements to dietary quality. Examining how individuals make dietary changes when consuming nuts may reveal key behavioural eating patterns beneficial for the development of dietary interventions. We examined the effects of nuts in comparison with other energy-dense snacks on energy compensation, nutrient displacement, and food group patterns. This was a 12-week randomised, controlled, parallel study with four arms: ~1100 kJ/day for each of hazelnuts (42 g), chocolate (50 g), potato crisps (50 g), or no added snack food. Diet records, body composition, and physical activity were measured at baseline and week 12, in 102 non-obese participants. Significant improvements in diet quality were observed in the hazelnut group, particularly when consumed as snacks. Intakes of monounsaturated fat (MUFA) and vitamin E were significantly higher (all P snacks in this non-obese population. Regular nut consumption significantly improves nutrient profiles compared to other snacks with changes occurring at the snack level.

  11. Functional materials for energy-efficient buildings

    Science.gov (United States)

    Ebert, H.-P.

    2015-08-01

    The substantial improving of the energy efficiency is essential to meet the ambitious energy goals of the EU. About 40% of the European energy consumption belongs to the building sector. Therefore the reduction of the energy demand of the existing building stock is one of the key measures to deliver a substantial contribution to reduce CO2-emissions of our society. Buildings of the future have to be efficient in respect to energy consumption for construction and operation. Current research activities are focused on the development of functional materials with outstanding thermal and optical properties to provide, for example, slim thermally superinsulated facades, highly integrated heat storage systems or adaptive building components. In this context it is important to consider buildings as entities which fulfill energy and comfort claims as well as aesthetic aspects of a sustainable architecture.

  12. Functional materials for energy-efficient buildings

    Directory of Open Access Journals (Sweden)

    Ebert H.-P

    2015-01-01

    Full Text Available The substantial improving of the energy efficiency is essential to meet the ambitious energy goals of the EU. About 40% of the European energy consumption belongs to the building sector. Therefore the reduction of the energy demand of the existing building stock is one of the key measures to deliver a substantial contribution to reduce CO2-emissions of our society. Buildings of the future have to be efficient in respect to energy consumption for construction and operation. Current research activities are focused on the development of functional materials with outstanding thermal and optical properties to provide, for example, slim thermally superinsulated facades, highly integrated heat storage systems or adaptive building components. In this context it is important to consider buildings as entities which fulfill energy and comfort claims as well as aesthetic aspects of a sustainable architecture.

  13. SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

    Energy Technology Data Exchange (ETDEWEB)

    Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

    2010-12-20

    We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

  14. Effect of oxygen defects on transport properties and Tc of YBa2Cu3O6+x: Displacement energy for plane and chain oxygen and implications for irradiation-induced resistivity and Tc suppression

    International Nuclear Information System (INIS)

    Tolpygo, S.K.; Lin, J.; Gurvitch, M.; Hou, S.Y.; Phillips, J.M.

    1996-01-01

    The effect of electron irradiation with energy from 20 to 120 keV on the resistivity, Hall coefficient, and superconducting critical temperature T c of YBa 2 Cu 3 O 6+x thin films has been studied. The threshold energy of incident electrons for T c suppression has been found, and the displacement energy for oxygen in CuO 2 planes has been evaluated as 8.4 eV for irradiation along the c axis. The kinetics of production of the in-plane oxygen vacancies has been studied and found to be governed by athermal recombination of vacancy-interstitial pairs. The evaluated recombination volume constitutes about 21 unit cells. The increase in the T-linear resistivity slope and Hall coefficient at unchanged T c was observed in irradiations with subthreshold incident energies and was ascribed to the effect of chain oxygen displacements. The upper limit on the displacement energy for chain oxygen has been estimated as 2.8 eV. In x=0.9 samples the T c suppression by in-plane oxygen defects and increase in residual resistivity have been found to be, respectively, -280 K and 1.5 mΩcm per defect in the unit cell. It is shown that T c suppression by in-plane oxygen defects is a universal function of the transport impurity scattering rate and can be described qualitatively by pair-breaking theory for d-wave superconductors with nonmagnetic potential scatterers. Evaluation of scattering and pair-breaking rates as well as the scattering cross section and potential is given. A comparison of the influence of in-plane oxygen defects on transport properties with that of other in-plane defects, such as Zn and Ni substitutions for Cu, is also made. copyright 1996 The American Physical Society

  15. Energy harvesting with functional materials and microsystems

    CERN Document Server

    Bhaskaran, Madhu; Iniewski, Krzysztof

    2013-01-01

    For decades, people have searched for ways to harvest energy from natural sources. Lately, a desire to address the issue of global warming and climate change has popularized solar or photovoltaic technology, while piezoelectric technology is being developed to power handheld devices without batteries, and thermoelectric technology is being explored to convert wasted heat, such as in automobile engine combustion, into electricity. Featuring contributions from international researchers in both academics and industry, Energy Harvesting with Functional Materials and Microsystems explains the growi

  16. Damage energy functions for compounds and alloys

    International Nuclear Information System (INIS)

    Parkin, D.M.; Coulter, C.A.

    1977-01-01

    The concept of the damage energy of an energetic primary knock-on atom in a material is a central component in the procedure used to calculate dpa for metals exposed to neutron and charged particle radiation. Coefficients for analytic fits to the calculated damage energy functions are given for Al 2 O 3 , Si 3 N 4 , Y 2 O 3 , and NbTi. Damage efficiencies are given for Al 2 O 3

  17. Design and Realization of a Three Degrees of Freedom Displacement Measurement System Composed of Hall Sensors Based on Magnetic Field Fitting by an Elliptic Function

    Directory of Open Access Journals (Sweden)

    Bo Zhao

    2015-09-01

    Full Text Available This paper presents the design and realization of a three degrees of freedom (DOFs displacement measurement system composed of Hall sensors, which is built for the XYθz displacement measurement of the short stroke stage of the reticle stage of lithography. The measurement system consists of three pairs of permanent magnets mounted on the same plane on the short stroke stage along the Y, Y, X directions, and three single axis Hall sensors correspondingly mounted on the frame of the reticle stage. The emphasis is placed on the decoupling and magnetic field fitting of the three DOFs measurement system. The model of the measurement system is illustrated, and the XY positions and θZ rotation of the short stroke stage can be obtained by decoupling the sensor outputs. A magnetic field fitting by an elliptic function-based compensation method is proposed. The practical field intensity of a permanent magnet at a certain plane height can be substituted for the output voltage of a Hall sensors, which can be expressed by the elliptic function through experimental data as the crucial issue to calculate the three DOFs displacement. Experimental results of the Hall sensor displacement measurement system are presented to validate the proposed three DOFs measurement system.

  18. Neuroenergetics: How energy constraints shape brain function

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    The nervous system consumes a disproportionate fraction of the resting body’s energy production. In humans, the brain represents 2% of the body’s mass, yet it accounts for ~20% of the total oxygen consumption. Expansion in the size of the brain relative to the body and an increase in the number of connections between neurons during evolution underpin our cognitive powers and are responsible for our brains’ high metabolic rate. The molecules at the center of cellular energy metabolism also act as intercellular signals and constitute an important communication pathway, coordinating for instance the immune surveillance of the brain. Despite the significance of energy consumption in the nervous system, how energy constrains and shapes brain function is often under appreciated. I will illustrate the importance of brain energetics and metabolism with two examples from my recent work. First, I will show how the brain trades information for energy savings in the visual pathway. Indeed, a significant fraction ...

  19. Emittance growth rates for displaced beams

    International Nuclear Information System (INIS)

    Anderson, O.A.

    1993-05-01

    Emittance growth rates have been previously analyzed for nonuniform beams in linear channels and for initially uniform mismatched beams in nonlinear channels. These studies were for centered beams. Additional emittance growth can arise in cases where the beam is initially displaced. The purpose of this study is to obtain growth rates for displaced beams. This work differs from studies involving random displacement of electrodes. Our analysis assumes instead that the focusing system is perfectly aligned but that the beam is initially displaced with respect to the equilibrium axis. If the focusing force is slightly nonlinear, we find a gradual transfer of the potential energy of beam displacement into kinetic energy associated with emittance growth. We present explicit results for the emittance growth distance as a function of the nonlinearity of the channel. These results will have practical importance for designers of accelerators and transport systems when setting realistic tolerances for initial beam alignment. These tolerances will depend on the nonlinearity and the length of the system

  20. Functional data analysis of sleeping energy expenditure

    Science.gov (United States)

    Adequate sleep is crucial during childhood for metabolic health, and physical and cognitive development. Inadequate sleep can disrupt metabolic homeostasis and alter sleeping energy expenditure (SEE). Functional data analysis methods were applied to SEE data to elucidate the population structure of ...

  1. Analysis of the Bogoliubov free energy functional

    DEFF Research Database (Denmark)

    Reuvers, Robin

    In this thesis, we analyse a variational reformulation of the Bogoliubov approximation that is used to describe weakly-interacting translationally-invariant Bose gases. For the resulting model, the `Bogoliubov free energy functional', we demonstrate existence of minimizers as well as the presence...

  2. Electron energy-distribution functions in gases

    International Nuclear Information System (INIS)

    Pitchford, L.C.

    1981-01-01

    Numerical calculation of the electron energy distribution functions in the regime of drift tube experiments is discussed. The discussion is limited to constant applied fields and values of E/N (ratio of electric field strength to neutral density) low enough that electron growth due to ionization can be neglected

  3. Gaas Displacement Damage Dosimeter Based on Diode Dark Currents

    Directory of Open Access Journals (Sweden)

    Warner Jeffrey H.

    2017-01-01

    Full Text Available GaAs diode dark currents are correlated over a very large proton energy range as a function of displacement damage dose (DDD. The linearity of the dark current increase with DDD over a wide range of applied voltage bias deems this device an excellent candidate for a displacement damage dosimeter. Additional proton testing performed in situ enabled error estimate determination to within 10% for simulated space use.

  4. Radiological study of the secondary reduction effect of early functional exercise on displaced intra-articular calcaneal fractures after internal compression fixation.

    Science.gov (United States)

    Chen, Wei; Liu, Bo; Lv, Hongzhi; Su, Yanling; Chen, Xiao; Zhu, Yanbin; Du, Chenguang; Zhang, Xiaolin; Zhang, Yingze

    2017-09-01

    Early post-operative exercise and weight-bearing activities are found to improve the functional recovery of patients with displaced intra-articular calcaneal fractures (DIACFs). We hypothesized that early functional exercise after surgery might have a secondary reduction effect on the subtalar joint, in particular the smaller fracture fragments that were not fixed firmly. A prospective study was conducted to verify this hypothesis. From December 2012 to September 2013, patients with unilateral DIACFs were enrolled and received a treatment consisting of percutaneous leverage and minimally invasive fixation. After surgery, patients in the study group started exercising on days two to three, using partial weight bearing starting week three, and full weight bearing starting week 12. Patients in the control group followed a conventional post-operative protocol of partial weight bearing after week six and full weight bearing after the bone healed. Computed tomography (CT) scanning was performed at post-operative day one, week four, week eight, and week 12 to reconstruct coronal, sagittal, and axial images, on which the maximal residual displacements of the fractures were measured. Function was evaluated using the American Orthopaedic Foot and Ankle Society (AOFAS) scoring scale at the 12th post-operative month. Twenty-eight patients in the study group and 32 in the control group were followed up for more than 12 months; their data were collected and used for the final analysis. Repeated-measures analysis of variance (ANOVA) of the maximal residual displacements of the fracture measured on CT images revealed significant differences between the study and the control groups. There were interaction effects between group and time point. Except for the first time point, the differences between the groups at all studied time points were significant. In the study group, the differences between all studied time points were significant. Strong correlations were observed between

  5. Functional derivative of noninteracting kinetic energy density functional

    International Nuclear Information System (INIS)

    Liu Shubin; Ayers, Paul W.

    2004-01-01

    Proofs from different theoretical frameworks, namely, the Hohenbergh-Kohn theorems, the Kohn-Sham scheme, and the first-order density matrix representation, have been presented in this paper to show that the functional derivative of the noninteracting kinetic energy density functional can uniquely be expressed as the negative of the Kohn-Sham effective potential, arbitrary only to an additive orbital-independent constant. Key points leading to the current result as well as confusion about the quantity in the literature are briefly discussed

  6. Functional Carbon Materials for Electrochemical Energy Storage

    Science.gov (United States)

    Zhou, Huihui

    The ability to harvest and convert solar energy has been associated with the evolution of human civilization. The increasing consumption of fossil fuels since the industrial revolution, however, has brought to concerns in ecological deterioration and depletion of the fossil fuels. Facing these challenges, humankind is forced to seek for clean, sustainable and renewable energy resources, such as biofuels, hydraulic power, wind power, geothermal energy and other kinds of alternative energies. However, most alternative energy sources, generally in the form of electrical energy, could not be made available on a continuous basis. It is, therefore, essential to store such energy into chemical energy, which are portable and various applications. In this context, electrochemical energy-storage devices hold great promises towards this goal. The most common electrochemical energy-storage devices are electrochemical capacitors (ECs, also called supercapacitors) and batteries. In comparison to batteries, ECs posses high power density, high efficiency, long cycling life and low cost. ECs commonly utilize carbon as both (symmetric) or one of the electrodes (asymmetric), of which their performance is generally limited by the capacitance of the carbon electrodes. Therefore, developing better carbon materials with high energy density has been emerging as one the most essential challenges in the field. The primary objective of this dissertation is to design and synthesize functional carbon materials with high energy density at both aqueous and organic electrolyte systems. The energy density (E) of ECs are governed by E = CV 2/2, where C is the total capacitance and V is the voltage of the devices. Carbon electrodes with high capacitance and high working voltage should lead to high energy density. In the first part of this thesis, a new class of nanoporous carbons were synthesized for symmetric supercapacitors using aqueous Li2SO4 as the electrolyte. A unique precursor was adopted to

  7. Assessment of functional displacement of bone marrow by osteoplastic metastases from prostatic carcinoma with bone marrow scintigraphy

    International Nuclear Information System (INIS)

    Venz, S.; Cordes, M.; Friedrichs, R.; Hosten, N.; Neumann, K.; Langer, R.; Nagel, R.; Felix, R.

    1993-01-01

    The detailed examination of the skeleton in prostate cancer has become more critical since surgical treatment requires the non-evidence of bone metastases. The data of 30 patients have been evaluated. All patients had a bone scan and a bone marrow scintigraphy with [ 99m Tc[-anti-NCA95. In this study we compared the degree of bone marrow displacement with the extent of metastatic deposits identified on the bone scan. Six patients showing the criterias of a superscan (maximal avidity of the osteotrope radiatracer) had as a correlate a complete displacement of the hematopoesis in the bone marrow scintigraphy and an increased activity in liver and spleen. The degree of the peripheral extension correlated strongly with the decrease of the haemoglobin in blood samples. The grading was based upon the number of metastatic deposits identified on the scan (0=no metastases; 1≤6 metastases; 2=multiple metastases; 3=superscan). In 28 of 30 patients (93%) we found corresponding results in both the bone scan and the bone marrow scintigraphy. The bone marrow scintigraphy is a sensitive method in the detection of metastatic disease and gives additional information about the extent of bone marrow displacement by osteoplastic metastases. (orig.) [de

  8. MD simulation of atomic displacements in metals and metallic bilayers under low energy ion bombardment at 300 K

    International Nuclear Information System (INIS)

    Kornich, G.V.; Betz, G.; Bazhin, A.I.

    1999-01-01

    MD simulations of 100 eV Ar ion bombardment of (1 0 0) Ni and Al as well as Al/Ni bilayer crystals at 300 K have been performed and compared to previous calculations at 0 K. The Al/Ni bilayer crystal consisted of one Al layer on a (1 0 0) Ni substrate. Sputtering yields for Ni and Al/Ni show no temperature dependence, while for Al a pronounced increase with temperature was observed. The contributions of different mechanisms to the production of surface and bulk defects are discussed. The mean square displacement (MSD) of atoms is in all cases larger at 300 K as compared to 0 K. The larger MSD at 300 K is mainly due to an increase in lateral (perpendicular to the ion beam) motion of displaced atoms. Similar the number of atomic jumps, in which an atom leaves its original Wigner-Seitz cell, increases in all cases with temperature. For the pure elements the production of bulk vacancies and interstitials decreases with temperature, but the number of surface vacancies and ad-atoms increases with temperature. For the bilayer system practically no temperature dependence for defects was observed

  9. Assessment of treatment response to splint therapy and evaluation of TMJ function using joint vibration analysis in patients exhibiting TMJ disc displacement with reduction: A clinical study

    Directory of Open Access Journals (Sweden)

    Jyoti Devi

    2017-01-01

    Full Text Available Context, Aim, and Objectives: Diagnosis of temporomandibular joint (TMJ disc displacement with reduction (DDR is difficult. Literature combining different subjective parameters of TMJ function with an objective evaluation of TMJ function using joint vibration analysis (JVA is limited. Hence, the study was planned to diagnose temporomandibular disorder accurately, to do a subjective and objective evaluation of TMJ function, and to assess the effectiveness of different types of splint therapy over the conventional anterior repositioning appliance (ARA group. Design: Single-blind, randomized, comparative clinical trial conducted in thirty patients, 18–55 years of age, allocated to three groups, i.e., ARA conventional group, centric stabilization splint (CSS, and Soft splint (SS groups. Subjects and Methods: Preoperative values of comfortable mouth opening (CMO in mm, maximum mouth opening (MMO in mm, TMJ clicking and tenderness (grading 0–3, visual analog scale pain score (0–10 cm, and total energy (TE integral values of both TMJs using JVA were recorded. Postoperative values were taken at the time of delivery of splint at 1st, 2nd, 6th, and 10th week. Statistical Analysis and Results: Intergroup comparison – Kruskal–Wallis test showed no statistically significant difference in CMO, MMO, and TE values of right TMJs among three groups at any point. No significant difference was seen in TMJ clicking and tenderness among groups at any point of time except at 10 weeks and at 2 weeks, respectively, by Chi-square test. Intragroup comparison - Wilcoxon signed-rank test showed the significance of difference (P < 0.05* in postoperative visits for CMO, MMO, pain score, and TE values. Clinical effect size, extent, consistency, and percentage of cases showing improvement were maximum for CSS group. Conclusions: The study concludes that the use of JVA for diagnosis along with history and clinical examination increases the accuracy of the diagnosis of

  10. Ultrasound assessment of mitral annular displacement in patients with coronary heart disease and its correlation with left heart function and serum indexes

    Directory of Open Access Journals (Sweden)

    Bing-Yan Lai

    2016-10-01

    Full Text Available Objective: To analyze the ultrasound assessment of mitral annular displacement in patients with coronary heart disease and its correlation with left heart function and serum indexes. Methods: A total of 89 patients with coronary heart disease were divided into angina pectoris group 42 cases and myocardial infarction group 47 cases according to the illness, and 58 cases of healthy subjects were included in control group. Values of mitral annular displacement (MAD parameters, left heart function indexes and serum illness-related indexes of three groups were detected, and the correlation between values of MAD parameters and values of cardiac function indexes and serum illness-related indexes were further analyzed. Results: MAD parameters TMAD1, TMAD2 and TMADmid values, heart function LVEF values and serum CysC level of myocardial infarction group and angina pectoris group were lower than those of control group, and cardiac function LVEDD, LVESD and A/E values as well as serum H-FABP, ICTP, Hcy and vWF levels were higher than those of control group (P<0.05; MAD parameters TMAD1, TMAD2 and TMADmid values of patients with coronary heart disease were negatively correlated with LVEDD, LVESD and A/E values as well as H-FABP, ICTP, Hcy and vWF levels, and were positively correlated with LVEF value and CysC level (P<0.05. Conclusions: Ultrasound assessment of mitral annular displacement in patients with coronary heart disease can early diagnose coronary heart disease and judge the disease severity, and it plays a positive role in optimizing disease prognosis.

  11. Functional materials discovery using energy-structure-function maps.

    Science.gov (United States)

    Pulido, Angeles; Chen, Linjiang; Kaczorowski, Tomasz; Holden, Daniel; Little, Marc A; Chong, Samantha Y; Slater, Benjamin J; McMahon, David P; Bonillo, Baltasar; Stackhouse, Chloe J; Stephenson, Andrew; Kane, Christopher M; Clowes, Rob; Hasell, Tom; Cooper, Andrew I; Day, Graeme M

    2017-03-30

    Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule. Using these maps, we identify a highly porous solid, which has the lowest density reported for a molecular crystal so far. Both the structure of the crystal and its physical properties, such as methane storage capacity and guest-molecule selectivity, are predicted using the molecular structure as the only input. More generally, energy-structure-function maps could be used to guide the experimental discovery of materials with any target function that can be calculated from predicted crystal structures, such as electronic structure or mechanical properties.

  12. The Bogoliubov free energy functional II

    DEFF Research Database (Denmark)

    Napiórkowski, Marcin; Reuvers, Robin; Solovej, Jan Philip

    2018-01-01

    We analyse the canonical Bogoliubov free energy functional at low temperatures in the dilute limit. We prove existence of a first order phase transition and, in the limit $a_0\\to a$, we determine the critical temperature to be $T_{\\rm{c}}=T_{\\rm{fc}}(1+1.49(\\rho^{1/3}a))$ to leading order. Here, $T......_{\\rm{fc}}$ is the critical temperature of the free Bose gas, $\\rho$ is the density of the gas, $a$ is the scattering length of the pair-interaction potential $V$, and $a_0=(8\\pi)^{-1}\\widehat{V}(0)$ its first order approximation. We also prove asymptotic expansions for the free energy. In particular, we recover the Lee...

  13. Functional data analysis of sleeping energy expenditure.

    Science.gov (United States)

    Lee, Jong Soo; Zakeri, Issa F; Butte, Nancy F

    2017-01-01

    Adequate sleep is crucial during childhood for metabolic health, and physical and cognitive development. Inadequate sleep can disrupt metabolic homeostasis and alter sleeping energy expenditure (SEE). Functional data analysis methods were applied to SEE data to elucidate the population structure of SEE and to discriminate SEE between obese and non-obese children. Minute-by-minute SEE in 109 children, ages 5-18, was measured in room respiration calorimeters. A smoothing spline method was applied to the calorimetric data to extract the true smoothing function for each subject. Functional principal component analysis was used to capture the important modes of variation of the functional data and to identify differences in SEE patterns. Combinations of functional principal component analysis and classifier algorithm were used to classify SEE. Smoothing effectively removed instrumentation noise inherent in the room calorimeter data, providing more accurate data for analysis of the dynamics of SEE. SEE exhibited declining but subtly undulating patterns throughout the night. Mean SEE was markedly higher in obese than non-obese children, as expected due to their greater body mass. SEE was higher among the obese than non-obese children (p0.1, after post hoc testing). Functional principal component scores for the first two components explained 77.8% of the variance in SEE and also differed between groups (p = 0.037). Logistic regression, support vector machine or random forest classification methods were able to distinguish weight-adjusted SEE between obese and non-obese participants with good classification rates (62-64%). Our results implicate other factors, yet to be uncovered, that affect the weight-adjusted SEE of obese and non-obese children. Functional data analysis revealed differences in the structure of SEE between obese and non-obese children that may contribute to disruption of metabolic homeostasis.

  14. Multi-functional energy plantation; Multifunktionella bioenergiodlingar

    Energy Technology Data Exchange (ETDEWEB)

    Boerjesson, Paal [Lund Univ. (Sweden). Environmental and Energy Systems Studies; Berndes, Goeran; Fredriksson, Fredrik [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Physical Resource Theory; Kaaberger, Tomas [Ecotraffic, Goeteborg (Sweden)

    2002-02-01

    There exists a significant potential for utilising perennial energy plantations in protecting and restoring polluted water and land resources in Sweden. By optimising the design, location and management, several additional environmental services could be obtained which will increase the value of the energy plantations, thereby improving future market conditions for biomass. Multi-functional energy plantations (mainly Salix but also energy grass) can be divided into two categories, those designed for dedicated environmental services (e.g. vegetation filters for wastewater and sewage sludge treatment and shelter belts against soil erosion), and those generating more general benefits (e.g. soil carbon accumulation, increased soil fertility, cadmium removal and increased hunting potential). The practical potential of those two categories is estimated to be equivalent to up to 3% and more than 20% of the total Swedish arable land, respectively. The regional conditions of utilising multi-functional plantations vary, however, with the best possibilities in densely populated areas dominated by farmland. The economic value of multi-functional plantations is normally highest for those designed for dedicated environmental services. Purification of wastewater has the highest value, which could exceed the production cost in conventional Salix plantations, followed by treatment of polluted drainage water in vegetation filters and buffer zones (equivalent to more than half of the production cost), recirculation of sewage sludge (around half of the production cost), erosion control (around one fourth) and increased hunting potential (up to 15% of the production cost). The value of increased hunting potential varies due to nearness to larger cities and in which part of Sweden the plantation is located. The economic value of cadmium removal and increased soil fertility is equivalent to a few percent of the production cost, but the value of cadmium removal might increase in the

  15. Synthesis of polyaniline (PANI) and functionalized polyaniline (F-PANI) nanoparticles with controlled size by solvent displacement method. Application in fluorescence detection and bacteria killing by photothermal effect

    Science.gov (United States)

    Bongiovanni Abel, Silvestre; Yslas, Edith I.; Rivarola, Claudia R.; Barbero, Cesar A.

    2018-03-01

    Polyaniline nanoparticles (PANI-NPs) were easily obtained applying the solvent displacement method by using N-methylpyrrolidone (NMP) as good solvent and water as poor solvent. Different polymers such as polyvinylpyrrolidone (PVP), chondroitin sulfate (ChS), polyvinyl alcohol (PVA), and polyacrylic acid (PAA) were used as stabilizers. Dynamic light scattering and scanning electron microscopy corroborated the size and morphology of the formed NPs. It was demonstrated that the size of nanoparticles could be controlled by setting the concentration of PANI in NMP, the NMP to water ratio, and the stabilizer’s nature. The functionalization and fluorescence of NPs were checked by spectroscopic techniques. Since polyaniline show only weak intrinsic luminescence, fluorescent groups were linked to the polyaniline chains prior to the nanoparticle formation using a linker. Polyaniline chains were functionalized by nucleophilic addition of cysteamine trough the thiol group thereby incorporating pendant primary aliphatic amine groups to the polyaniline backbone. Then, dansyl chloride (DNS-Cl), which could act as an extrinsic chromophore, was conjugated to the amine pendant groups. Later, the functionalized polyaniline was used to produce nanoparticles by solvent displacement. The optical and functional properties of fluorescent nanoparticles (F-PANI-NPs) were determined. F-PANI-NPs in the conductive state (pH causes bacterial death. Therefore, the F-PANI-NPs could be tracked and applied to inhibit different diseases caused by pathogenic microorganisms and resistant to antibiotics as well as a new disinfection method to surgical materials.

  16. Bohler's angle's role in assessing the injury severity and functional outcome of internal fixation for displaced intra-articular calcaneal fractures: a retrospective study.

    Science.gov (United States)

    Su, Yanling; Chen, Wei; Zhang, Tao; Wu, Xingwang; Wu, Zhanpo; Zhang, Yingze

    2013-09-24

    Controversy exits over the role of Böhler's angle in assessing the injury severity of displaced intra-articular calcaneal fractures and predicting the functional outcome following internal fixation. This study aims to investigate whether a correlation exists between Böhler's angle and the injury severity of displaced calcaneal fractures, and between surgical improvement of Böhler's angle and functional outcome. Patients treated operatively for unilateral closed displaced intra-articular calcaneal fractures from January 1, 2004 to March 31, 2008 were identified. The Böhler's angles of both calcaneus were measured, and the measurement of the uninjured foot was used as its normal control. The difference in the value of Böhler's angle measured preoperatively or postoperatively between the angle of the injured foot and that of the contralateral calcaneus were calculated, respectively. The change in Böhler's angle by ratio was calculated by dividing the difference value of Böhler's angle between bilateral calcaneus by its normal control. The injury severity was assessed according to Sanders classification. The functional outcomes were assessed using American Orthopaedic Foot & Ankle Society hindfoot scores. 274 patients were included into the study with a mean follow-up duration of 71 months. According to Sanders classification, the fracture pattern included 105 type II, 121 type III and 48 type IV fractures. According to American Orthopaedic Foot & Ankle Society hindfoot scoring system, the excellent, good, fair and poor results were achieved in 104, 132, 27, and 11 patients, respectively. The preoperative Böhler's angle, difference value of Böhler's angle between bilateral calcaneus, and change in Böhler's angle by ratio each has a significant correlation with Sanders classification (rs=-0.178, P=0.003; rs=-0.174, P=0.004; rs=-0.172, P=0.005, respectively), however, is not correlated with functional outcome individually. The three postoperative measurements

  17. Balance Function in High-Energy Collisions

    International Nuclear Information System (INIS)

    Tawfik, A.; Shalaby, Asmaa G.

    2015-01-01

    Aspects and implications of the balance functions (BF) in high-energy physics are reviewed. The various calculations and measurements depending on different quantities, for example, system size, collisions centrality, and beam energy, are discussed. First, the different definitions including advantages and even short-comings are highlighted. It is found that BF, which are mainly presented in terms of relative rapidity, and relative azimuthal and invariant relative momentum, are sensitive to the interaction centrality but not to the beam energy and can be used in estimating the hadronization time and the hadron-quark phase transition. Furthermore, the quark chemistry can be determined. The chemical evolution of the new-state-of-matter, the quark-gluon plasma, and its temporal-spatial evolution, femtoscopy of two-particle correlations, are accessible. The production time of positive-negative pair of charges can be determined from the widths of BF. Due to the reduction in the diffusion time, narrowed widths refer to delayed hadronization. It is concluded that BF are powerful tools characterizing hadron-quark phase transition and estimating some essential properties

  18. Energy functionals for Calabi-Yau metrics

    International Nuclear Information System (INIS)

    Headrick, M; Nassar, A

    2013-01-01

    We identify a set of ''energy'' functionals on the space of metrics in a given Kähler class on a Calabi-Yau manifold, which are bounded below and minimized uniquely on the Ricci-flat metric in that class. Using these functionals, we recast the problem of numerically solving the Einstein equation as an optimization problem. We apply this strategy, using the ''algebraic'' metrics (metrics for which the Kähler potential is given in terms of a polynomial in the projective coordinates), to the Fermat quartic and to a one-parameter family of quintics that includes the Fermat and conifold quintics. We show that this method yields approximations to the Ricci-flat metric that are exponentially accurate in the degree of the polynomial (except at the conifold point, where the convergence is polynomial), and therefore orders of magnitude more accurate than the balanced metrics, previously studied as approximations to the Ricci-flat metric. The method is relatively fast and easy to implement. On the theoretical side, we also show that the functionals can be used to give a heuristic proof of Yau's theorem

  19. Combined effects of Mass and Velocity on forward displacement and phenomenological ratings: a functional measurement approach to the Momentum metaphor

    Directory of Open Access Journals (Sweden)

    Michel-Ange Amorim

    2010-01-01

    Full Text Available Representational Momentum (RepMo refers to the phenomenon that the vanishing position of a moving target is perceived as displaced ahead in the direction of movement. Originally taken to reflect a strict internalization of physical momentum, the finding that the target implied mass did not have an effect led to its subsequent reinterpretation as a second-order isomorphism between mental representations and principles of the physical world. However, very few studies have addressed the effects of mass on RepMo, and consistent replications of the null effect are lacking. The extent of motor engagement of the observers in RepMo tasks has, on the other hand, been suggested to determine the occurrence of the phenomenon; however, no systematic investigations were made of the degree to which it might modulate the effect of target mass. In the present work, we use Information Integration Theory to study the joint effects of different motor responses, target velocity and target mass on RepMo, and also of velocity and target mass on rating responses. Outcomes point not only to an effect of mass on RepMo, as to a differential effect of response modality on kinematic (e.g., velocity and dynamic (e.g., mass variables. Comparisons of patterns of mislocalisation with phenomenological ratings suggest that simplification of physical principles, rather than strict internalization or isomorphism per se, might underlie RepMo.

  20. Modelling Toehold-Mediated RNA Strand Displacement

    OpenAIRE

    Šulc, Petr; Ouldridge, Thomas E.; Romano, Flavio; Doye, Jonathan P.K.; Louis, Ard A.

    2015-01-01

    We study the thermodynamics and kinetics of an RNA toehold-mediated strand displacement reaction with a recently developed coarse-grained model of RNA. Strand displacement, during which a single strand displaces a different strand previously bound to a complementary substrate strand, is an essential mechanism in active nucleic acid nanotechnology and has also been hypothesized to occur in vivo. We study the rate of displacement reactions as a function of the length of the toehold and temperat...

  1. Building a Universal Nuclear Energy Density Functional

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, Joe A. [Michigan State Univ., East Lansing, MI (United States); Furnstahl, Dick; Horoi, Mihai; Lust, Rusty; Nazaewicc, Witek; Ng, Esmond; Thompson, Ian; Vary, James

    2012-12-30

    During the period of Dec. 1 2006 – Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold: First, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties; Second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data; Third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

  2. Electroweak splitting functions and high energy showering

    Science.gov (United States)

    Chen, Junmou; Han, Tao; Tweedie, Brock

    2017-11-01

    We derive the electroweak (EW) collinear splitting functions for the Standard Model, including the massive fermions, gauge bosons and the Higgs boson. We first present the splitting functions in the limit of unbroken SU(2) L × U(1) Y and discuss their general features in the collinear and soft-collinear regimes. These are the leading contributions at a splitting scale ( k T ) far above the EW scale ( v). We then systematically incorporate EW symmetry breaking (EWSB), which leads to the emergence of additional "ultra-collinear" splitting phenomena and naive violations of the Goldstone-boson Equivalence Theorem. We suggest a particularly convenient choice of non-covariant gauge (dubbed "Goldstone Equivalence Gauge") that disentangles the effects of Goldstone bosons and gauge fields in the presence of EWSB, and allows trivial book-keeping of leading power corrections in v/ k T . We implement a comprehensive, practical EW showering scheme based on these splitting functions using a Sudakov evolution formalism. Novel features in the implementation include a complete accounting of ultra-collinear effects, matching between shower and decay, kinematic back-reaction corrections in multi-stage showers, and mixed-state evolution of neutral bosons ( γ/ Z/ h) using density-matrices. We employ the EW showering formalism to study a number of important physical processes at O (1-10 TeV) energies. They include (a) electroweak partons in the initial state as the basis for vector-boson-fusion; (b) the emergence of "weak jets" such as those initiated by transverse gauge bosons, with individual splitting probabilities as large as O (35%); (c) EW showers initiated by top quarks, including Higgs bosons in the final state; (d) the occurrence of O (1) interference effects within EW showers involving the neutral bosons; and (e) EW corrections to new physics processes, as illustrated by production of a heavy vector boson ( W ') and the subsequent showering of its decay products.

  3. Performance of an agricultural tractor in no tillage as a function of displacement speed and the seeders' tire inflation pressure

    Energy Technology Data Exchange (ETDEWEB)

    Furlani, Carlos Eduardo Angeli; Cortez, Jorge Wilson; Silva, Rouverson Pereira da; Grotta, Danilo Cesar Checchio; Toledo, Anderson de [Universidade Estadual Paulista (UNESP), Jaboticabal, SP (Brazil)], E-mail: furlani@fcav.unesp.br

    2008-07-01

    The performance of an agricultural tractor under field conditions results from the tire wheel interaction together with its displacement speed. This work was developed to assess the performance of an agricultural tractor under the (75, 70, and 60 psi) tire inflation pressure conditions of a seeder and in two different gears providing speeds of 3.0 and 6.0 km h{sup -1}. The experiment took place at Sao Paulo State University (UNESP), at the Jaboticabal Campus, and was conducted by Laboratory of Machines and Agricultural Mechanization (LAMMA) at the Department of Rural Engineering. The delineation used was entirely randomized in a 2-factor factorial scheme (3 x 2) with 4 repetitions. We also observed that fuel consumption was influenced only by the tractor gear. Energy consumption was greater as speed increased, caused by gear shifting. The displacement speed was greater for the 75-psi pressure due to a lesser slippage in the seeder when under this pressure. Tractor slippage and initial stand did not change with the tested factors. (author)

  4. Displacement of diesel fuel with wind energy in rural Alaskan villages. Final progress and project closeout report

    Energy Technology Data Exchange (ETDEWEB)

    Meiners, Dennis [Alaska Industrial Development and Export Authority, Anchorage, AK (United States); Drouhilet, Steve [National Renewable Energy Lab. (NREL), Golden, CO (United States); Reeve, Brad [Alaska Industrial Development and Export Authority, Anchorage, AK (United States); Bergen, Matt [Kotzebue Electric Association, Kotzebue, AK (United States)

    2002-03-11

    The basic concept behind this project was to construct a wind diesel hybrid power system which combines and maximizes the intermittent and variable energy output of wind turbine(s) with diesel generator(s) to provide continuous high quality electric power to weak isolated mini-grids.

  5. DISPLACEMENT CASCADE SIMULATION IN TUNGSTEN UP TO 200 KEV OF DAMAGE ENERGY AT 300, 1025, AND 2050 K

    Energy Technology Data Exchange (ETDEWEB)

    Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-09-22

    We generated molecular dynamics database of primary defects that adequately covers the range of tungsten recoil energy imparted by 14-MeV neutrons. During this semi annual period, cascades at 150 and 200 keV at 300 and 1025 K were simulated. Overall, we included damage energy up to 200 keV at 300 and 1025 K, and up to 100 keV at 2050 K. We report the number of surviving Frenkel pairs (NF) and the size distribution of defect clusters. The slope of the NF curve versus cascade damage energy (EMD), on a log-log scale, changes at a transition energy (μ). For EMD > μ, the cascade forms interconnected damage regions that facilitate the formation of large clusters of defects. At 300 K and EMD = 200 keV, the largest size of interstitial cluster and vacancy cluster is 266 and 335, respectively. Similarly, at 1025 K and EMD = 200 keV, the largest size of interstitial cluster and vacancy cluster is 296 and 338, respectively. At 2050 K, large interstitial clusters also routinely form, but practically no large vacancy clusters do

  6. Drill baby drill: An analysis of how energy development displaced ranching's dominance over the BLM's subgovernment policymaking environment

    Science.gov (United States)

    Forbis, Robert Earl, Jr.

    Academic literature analyzing the Bureau of Land Management (BLM) land-use subgovernment stops at the Taylor Grazing Act and concludes that the historical development of administering grazing on public lands led to the capture of the BLM by ranching interests. Using a two-pronged methodological approach of process tracing and elite interviews this dissertation seeks to advance our collective knowledge of subgovernment theory by (a) clarifying the impact executive decision-making has on subgovernments and (b) identifying the conditions under which strategically competitive behavior between two competing subgovernment actors occurs. The dissertation seeks to update the literature by explaining what has caused the BLM to shift from a rancher-dominated agency to an energy dominated agency by identifying conditions under which subgovernment actors strategically respond to a political conflict. The research poses two questions: (1) how have executive actions disrupted an existing balance of power in a so-called "strong corner" of an entrenched subgovernment system and (2) what happens when conflict and competition break out between allied members of the system? Analysis indicates that as the BLM responded to Executive actions emphasizing domestic energy production, a conflict emerged between traditional allies: ranching and energy. Triggered by the unintended consequence of awakening long-dormant legislation, split-estate energy development---where property rights are severed between private surface and federal mineral estates---expanded across the West. In turn, this expansion helped establish the conditions for conflict and in doing so disrupted the balance of power between large public resource use interests in the relatively stable land-use subgovernment of the BLM. Indicative of energy's emerging dominance of the BLM's subgovernment, split-estate energy development led ranching interests to seek the protection of their Western state legislatures. This shift in

  7. From free energy to expected energy: Improving energy-based value function approximation in reinforcement learning.

    Science.gov (United States)

    Elfwing, Stefan; Uchibe, Eiji; Doya, Kenji

    2016-12-01

    Free-energy based reinforcement learning (FERL) was proposed for learning in high-dimensional state and action spaces. However, the FERL method does only really work well with binary, or close to binary, state input, where the number of active states is fewer than the number of non-active states. In the FERL method, the value function is approximated by the negative free energy of a restricted Boltzmann machine (RBM). In our earlier study, we demonstrated that the performance and the robustness of the FERL method can be improved by scaling the free energy by a constant that is related to the size of network. In this study, we propose that RBM function approximation can be further improved by approximating the value function by the negative expected energy (EERL), instead of the negative free energy, as well as being able to handle continuous state input. We validate our proposed method by demonstrating that EERL: (1) outperforms FERL, as well as standard neural network and linear function approximation, for three versions of a gridworld task with high-dimensional image state input; (2) achieves new state-of-the-art results in stochastic SZ-Tetris in both model-free and model-based learning settings; and (3) significantly outperforms FERL and standard neural network function approximation for a robot navigation task with raw and noisy RGB images as state input and a large number of actions. Copyright © 2016 The Author(s). Published by Elsevier Ltd.. All rights reserved.

  8. Medium-energy ion-beam simulation of the effect of ionizing radiation and displacement damage on SiO{sub 2}-based memristive nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Belov, Alexey; Mikhaylov, Alexey; Korolev, Dmitry; Guseinov, Davud; Gryaznov, Eugeny; Okulich, Eugenia; Sergeev, Victor; Antonov, Ivan; Kasatkin, Alexandr; Gorshkov, Oleg [Lobachevsky University, 23/3 Gagarin prospect, 603950 Nizhny Novgorod (Russian Federation); Tetelbaum, David, E-mail: tetelbaum@phys.unn.ru [Lobachevsky University, 23/3 Gagarin prospect, 603950 Nizhny Novgorod (Russian Federation); Kozlovski, Vitali [St. Petersburg State Polytechnic University, 29 Polytechnicheskaya street, 195251 St. Petersburg (Russian Federation)

    2016-07-15

    The principles of ion-beam simulation of the effect of fast (fission) neutrons and high-energy protons based on medium-energy ion irradiation have been developed for the Au/Zr/SiO{sub 2}/TiN/Ti capacitor-like memristive nanostructures demonstrating the repeatable resistive switching phenomenon. By using the Monte-Carlo approach, the irradiation fluences of H{sup +}, Si{sup +} and O{sup +} ions at the energy of 150 keV are determined that provide the ionization and displacement damage equivalent to the cases of space protons (15 MeV) and fission neutrons (1 MeV) irradiation. No significant change in the resistive switching parameters is observed under ion irradiation up to the fluences corresponding to the extreme fluence of 10{sup 17} cm{sup −2} of space protons or fission neutrons. The high-level radiation tolerance of the memristive nanostructures is experimentally confirmed with the application of 15 MeV proton irradiation and is interpreted as related to the local nature of conducting filaments and high concentration of the initial field-induced defects in oxide film.

  9. New angles on energy correlation functions

    Science.gov (United States)

    Moult, Ian; Necib, Lina; Thaler, Jesse

    2016-12-01

    Jet substructure observables, designed to identify specific features within jets, play an essential role at the Large Hadron Collider (LHC), both for searching for signals beyond the Standard Model and for testing QCD in extreme phase space regions. In this paper, we systematically study the structure of infrared and collinear safe substructure observables, defining a generalization of the energy correlation functions to probe n-particle correlations within a jet. These generalized correlators provide a flexible basis for constructing new substructure observables optimized for specific purposes. Focusing on three major targets of the jet substructure community — boosted top tagging, boosted W/Z/H tagging, and quark/gluon discrimination — we use power-counting techniques to identify three new series of powerful discriminants: M i , N i , and U i . The M i series is designed for use on groomed jets, providing a novel example of observables with improved discrimination power after the removal of soft radiation. The N i series behave parametrically like the N -subjettiness ratio observables, but are defined without respect to subjet axes, exhibiting improved behavior in the unresolved limit. Finally, the U i series improves quark/gluon discrimination by using higher-point correlators to simultaneously probe multiple emissions within a jet. Taken together, these observables broaden the scope for jet substructure studies at the LHC.

  10. New angles on energy correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Moult, Ian [Berkeley Center for Theoretical Physics, University of California,Berkeley, CA 94720 (United States); Theoretical Physics Group, Lawrence Berkeley National Laboratory,Berkeley, CA 94720 (United States); Center for Theoretical Physics, Massachusetts Institute of Technology,Cambridge, MA 02139 (United States); Necib, Lina; Thaler, Jesse [Center for Theoretical Physics, Massachusetts Institute of Technology,Cambridge, MA 02139 (United States)

    2016-12-29

    Jet substructure observables, designed to identify specific features within jets, play an essential role at the Large Hadron Collider (LHC), both for searching for signals beyond the Standard Model and for testing QCD in extreme phase space regions. In this paper, we systematically study the structure of infrared and collinear safe substructure observables, defining a generalization of the energy correlation functions to probe n-particle correlations within a jet. These generalized correlators provide a flexible basis for constructing new substructure observables optimized for specific purposes. Focusing on three major targets of the jet substructure community — boosted top tagging, boosted W/Z/H tagging, and quark/gluon discrimination — we use power-counting techniques to identify three new series of powerful discriminants: M{sub i}, N{sub i}, and U{sub i}. The M{sub i} series is designed for use on groomed jets, providing a novel example of observables with improved discrimination power after the removal of soft radiation. The N{sub i} series behave parametrically like the N-subjettiness ratio observables, but are defined without respect to subjet axes, exhibiting improved behavior in the unresolved limit. Finally, the U{sub i} series improves quark/gluon discrimination by using higher-point correlators to simultaneously probe multiple emissions within a jet. Taken together, these observables broaden the scope for jet substructure studies at the LHC.

  11. A numerical study on the effects of exhaust locations on energy consumption and thermal environment in an office room served by displacement ventilation

    International Nuclear Information System (INIS)

    Ahmed, Ahmed Qasim; Gao, Shian; Kareem, Ali Khaleel

    2016-01-01

    Highlights: • An advanced CFD program was developed and validated successfully. • The relation between the exhaust positions and heat sources was analysed. • Energy saving, thermal comfort and inhaled air quality were studied for 5 cases. • By combining the exhaust with office lamps, a 25% of energy saving was achieved. - Abstract: In an office room, many factors affect the pattern of airflow, thermal comfort, indoor air quality and energy saving. In this study, the effects of the location of exhaust diffusers where the warm and contaminant air is extracted and their relation to room heat sources on thermal comfort and energy saving were investigated numerically for an office served by a displacement ventilation system. The indoor air quality in the breathing level and the inhaled zone were also evaluated. The contaminants were released from window and door frames in order to simulate the contaminants coming from outside. The amount of energy consumption and the indoor thermal environment for various exhaust locations were investigated numerically using the computational fluid dynamics techniques. The results showed that the thermal indoor environment, thermal comfort, quality of indoor air and energy saving were greatly improved by combining the exhaust outlets with some of the room’s heat sources such as ceiling lamps and external walls. In particular, a 25.0% of energy saving was achieved by combining the exhaust diffuser with room’s ceiling lamps. In addition, locating the exhaust diffuser near the heat sources also reduced the cooling coil load by 13.8%. The risk of a large difference in temperature between the head and foot levels, increased particle concentration in the occupied zone, as well as increased energy consumption was also clearly demonstrated when the exhaust and recirculated air outlet (return opening) were combined in one unit in the occupied boundary area that is located at 2 m away from the occupants. Thus, for the optimum energy

  12. Clavicle hook plate fixation for displaced lateral-third clavicle fractures (Neer type II): a functional outcome study.

    LENUS (Irish Health Repository)

    Good, Daniel W

    2012-08-01

    Controversy exists with the use of the acromioclavicular hook plate for the treatment of lateral-third clavicle fractures (Neer type II). This is thought to stem from problems associated with the hook plate causing impingement symptoms, which can cause long-term limitation of movement and pain. Our aim was to evaluate the functional outcomes of patients with lateral-third clavicle fractures treated with the hook plate.

  13. Energy density functional analysis of shape coexistence in 44S

    International Nuclear Information System (INIS)

    Li, Z. P.; Yao, J. M.; Vretenar, D.; Nikšić, T.; Meng, J.

    2012-01-01

    The structure of low-energy collective states in the neutron-rich nucleus 44 S is analyzed using a microscopic collective Hamiltonian model based on energy density functionals (EDFs). The calculated triaxial energy map, low-energy spectrum and corresponding probability distributions indicate a coexistence of prolate and oblate shapes in this nucleus.

  14. A Cellular Perspective on Brain Energy Metabolism and Functional Imaging

    KAUST Repository

    Magistretti, Pierre J.; Allaman, Igor

    2015-01-01

    The energy demands of the brain are high: they account for at least 20% of the body's energy consumption. Evolutionary studies indicate that the emergence of higher cognitive functions in humans is associated with an increased glucose utilization

  15. Generation of plastic influence functions for J-integral and crack opening displacement of thin-walled pipes with a short circumferential through-wall crack

    International Nuclear Information System (INIS)

    Park, Jeong Soon; Choi, Young Hwan; Im, Seyoung

    2014-01-01

    Fracture mechanics parameters such as the J-integral and crack opening displacement (COD), are necessary for Leak-Before-Break (LBB) evaluation. The famous two estimation methods, the GE/EPRI and the Reference Stress Method (RSM), have their applicability limit with regard to the ratio of a pipe mean radius to thickness (R m /t). In order to extend their applicability limit to a thin walled pipe, several finite element analyses are performed for the J-integral and COD, and then new plastic influence functions are developed for thin-walled pipes with a short circumferential through-wall crack. With the newly generated plastic influence functions, the GE/EPRI and the RSM give closer results with those obtained from detailed finite element analyses. In addition, C*-integral and COD rate are estimated by using the new plastic influence functions and they are well matched with elastic–creep finite element analysis results under the power-law creep condition. Since the LBB concept can be applied to a piping system in a Korean Sodium-cooled Fast Reactor (SFR) which is designed to have thin-walled pipes and to operate in high temperature enough to cause creep, this paper can be applied for the LBB assessment of thin-walled pipes with a short through-wall crack in the SFR

  16. Enhancement of biodiversity in energy farming: towards a functional approach

    International Nuclear Information System (INIS)

    Londo, M.; Dekker, J.

    1997-01-01

    When biomass is a substantial sustainable energy source, and special energy crops are grown on a large scale, land use and the environment of agriculture will be affected. Of these effects, biodiversity deserves special attention. The enhancement of biodiversity in energy farming via standard setting is the overall purpose of this project. In this study, the potential functionality of biodiversity in energy farming is proposed as a way of operationalising the rather abstract and broad concept of biodiversity. Functions of biodiversity are reviewed, and examples of functions are worked out, based on the current literature of nature in energy farming systems. (author)

  17. Comparing fracture healing disorders and long-term functional outcome of polytrauma patients and patients with an isolated displaced midshaft clavicle fracture.

    Science.gov (United States)

    Ferree, Steven; Hietbrink, Falco; van der Meijden, Olivier A J; Verleisdonk, Egbert Jan M M; Leenen, Luke P H; Houwert, Roderick M

    2017-01-01

    Although clavicle fractures are a common injury in polytrauma patients, the functional outcome of displaced midshaft clavicle fractures (DMCFs) in this population is unknown. Our hypothesis was that there would be no differences in fracture healing disorders or functional outcome in polytrauma patients with a DMCF compared with patients with an isolated DMCF, regardless of the treatment modality. A retrospective cohort study of patients (treated at our level I trauma center) with a DMCF was performed and a follow-up questionnaire was administered. Polytrauma patients, defined as an Injury Severity Score ≥16, and those with an isolated clavicle fracture were compared. Fracture healing disorders (nonunion and delayed union) and delayed fixation rates were determined. Functional outcome was assessed by the Quick Disability of the Arm, Shoulder, and Hand questionnaire. A total of 152 patients were analyzed, 71 polytrauma patients and 81 patients with an isolated DMCF. Questionnaire response of 121 patients (80%) was available (mean, 53 months; standard deviation, 22 months). No differences were found between polytrauma patients and those with an isolated DMCF with regard to nonunion (7% vs. 5%, respectively), delayed union (4% vs. 4%), and delayed fixation rate (13% vs. 13%). Polytrauma patients had an overall worse functional outcome, regardless of initial nonoperative treatment or delayed operative fixation. Polytrauma patients had a similar nonunion and delayed fixation rate but had an overall worse functional outcome compared with patients with an isolated DMCF. For polytrauma patients, a wait and see approach can be advocated without the risk of decreased upper extremity function after delayed fixation. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

  18. Functionally graded biomimetic energy absorption concept development for transportation systems.

    Science.gov (United States)

    2014-02-01

    Mechanics of a functionally graded cylinder subject to static or dynamic axial loading is considered, including a potential application as energy absorber. The mass density and stiffness are power functions of the radial coordinate as may be the case...

  19. Job Displacement and Crime

    DEFF Research Database (Denmark)

    Bennett, Patrick; Ouazad, Amine

    We use a detailed employer-employee data set matched with detailed crime information (timing of crime, fines, convictions, crime type) to estimate the impact of job loss on an individual's probability to commit crime. We focus on job losses due to displacement, i.e. job losses in firms losing...... a substantial share of their workers, for workers with at least three years of tenure. Displaced workers are more likely to commit offenses leading to conviction (probation, prison terms) for property crimes and for alcohol-related traffic violations in the two years following displacement. We find no evidence...... that displaced workers' propensity to commit crime is higher than non-displaced workers before the displacement event; but it is significantly higher afterwards. Displacement impacts crime over and above what is explained by earnings losses and weeks of unemployment following displacement....

  20. Three-dimensional linear fracture mechanics analysis by a displacement-hybrid finite-element model

    International Nuclear Information System (INIS)

    Atluri, S.N.; Kathiresan, K.; Kobayashi, A.S.

    1975-01-01

    This paper deals with a finite-element procedures for the calculation of modes I, II and III stress intensity factors, which vary, along an arbitrarily curved three-dimensional crack front in a structural component. The finite-element model is based on a modified variational principle of potential energy with relaxed continuity requirements for displacements at the inter-element boundary. The variational principle is a three-field principle, with the arbitrary interior displacements for the element, interelement boundary displacements, and element boundary tractions as variables. The unknowns in the final algebraic system of equations, in the present displacement hybrid finite element model, are the nodal displacements and the three elastic stress intensity factors. Special elements, which contain proper square root and inverse square root crack front variations in displacements and stresses, respectively, are used in a fixed region near the crack front. Interelement displacement compatibility is satisfied by assuming an independent interelement boundary displacement field, and using a Lagrange multiplier technique to enforce such interelement compatibility. These Lagrangean multipliers, which are physically the boundary tractions, are assumed from an equilibrated stress field derived from three-dimensional Beltrami (or Maxwell-Morera) stress functions that are complete. However, considerable care should be exercised in the use of these stress functions such that the stresses produced by any of these stress function components are not linearly dependent

  1. Job Displacement and Crime

    DEFF Research Database (Denmark)

    Bennett, Patrick; Ouazad, Amine

    theory of crime. Marital dissolution is more likely post-displacement, and we find small intra-family externalities of adult displacement on younger family members’ crime. The impact of displacement on crime is stronger in municipalities with higher capital and labor income inequalities....

  2. Potential for Worldwide Displacement of Fossil-Fuel Electricity by Nuclear Energy in Three Decades Based on Extrapolation of Regional Deployment Data

    Science.gov (United States)

    Qvist, Staffan A.; Brook, Barry W.

    2015-01-01

    There is an ongoing debate about the deployment rates and composition of alternative energy plans that could feasibly displace fossil fuels globally by mid-century, as required to avoid the more extreme impacts of climate change. Here we demonstrate the potential for a large-scale expansion of global nuclear power to replace fossil-fuel electricity production, based on empirical data from the Swedish and French light water reactor programs of the 1960s to 1990s. Analysis of these historical deployments show that if the world built nuclear power at no more than the per capita rate of these exemplar nations during their national expansion, then coal- and gas-fired electricity could be replaced worldwide in less than a decade. Under more conservative projections that take into account probable constraints and uncertainties such as differing relative economic output across regions, current and past unit construction time and costs, future electricity demand growth forecasts and the retiring of existing aging nuclear plants, our modelling estimates that the global share of fossil-fuel-derived electricity could be replaced within 25–34 years. This would allow the world to meet the most stringent greenhouse-gas mitigation targets. PMID:25970621

  3. Potential for worldwide displacement of fossil-fuel electricity by nuclear energy in three decades based on extrapolation of regional deployment data.

    Science.gov (United States)

    Qvist, Staffan A; Brook, Barry W

    2015-01-01

    There is an ongoing debate about the deployment rates and composition of alternative energy plans that could feasibly displace fossil fuels globally by mid-century, as required to avoid the more extreme impacts of climate change. Here we demonstrate the potential for a large-scale expansion of global nuclear power to replace fossil-fuel electricity production, based on empirical data from the Swedish and French light water reactor programs of the 1960s to 1990s. Analysis of these historical deployments show that if the world built nuclear power at no more than the per capita rate of these exemplar nations during their national expansion, then coal- and gas-fired electricity could be replaced worldwide in less than a decade. Under more conservative projections that take into account probable constraints and uncertainties such as differing relative economic output across regions, current and past unit construction time and costs, future electricity demand growth forecasts and the retiring of existing aging nuclear plants, our modelling estimates that the global share of fossil-fuel-derived electricity could be replaced within 25-34 years. This would allow the world to meet the most stringent greenhouse-gas mitigation targets.

  4. Deducing the form factors for shear used in the calculus of the displacements based on strain energy methods. Mathematical approach for currently used shapes

    Science.gov (United States)

    Constantinescu, E.; Oanta, E.; Panait, C.

    2017-08-01

    The paper presents an initial study concerning the form factors for shear, for a rectangular and for a circular cross section, being used an analytical method and a numerical study. The numerical study considers a division of the cross section in small areas and uses the power of the definitions in order to compute the according integrals. The accurate values of the form factors are increasing the accuracy of the displacements computed by the use of the strain energy methods. The knowledge resulted from this study will be used for several directions of development: calculus of the form factors for a ring-type cross section of variable ratio of the inner and outer diameters, calculus of the geometrical characteristics of an inclined circular segment and, using a Bool algebra that operates with geometrical shapes, for an inclined circular ring segment. These shapes may be used to analytically define the geometrical model of a complex composite section, i.e. a ship hull cross section. The according calculus relations are also useful for the development of customized design commands in CAD commercial applications. The paper is a result of the long run development of original computer based instruments in engineering of the authors.

  5. Potential for worldwide displacement of fossil-fuel electricity by nuclear energy in three decades based on extrapolation of regional deployment data.

    Directory of Open Access Journals (Sweden)

    Staffan A Qvist

    Full Text Available There is an ongoing debate about the deployment rates and composition of alternative energy plans that could feasibly displace fossil fuels globally by mid-century, as required to avoid the more extreme impacts of climate change. Here we demonstrate the potential for a large-scale expansion of global nuclear power to replace fossil-fuel electricity production, based on empirical data from the Swedish and French light water reactor programs of the 1960s to 1990s. Analysis of these historical deployments show that if the world built nuclear power at no more than the per capita rate of these exemplar nations during their national expansion, then coal- and gas-fired electricity could be replaced worldwide in less than a decade. Under more conservative projections that take into account probable constraints and uncertainties such as differing relative economic output across regions, current and past unit construction time and costs, future electricity demand growth forecasts and the retiring of existing aging nuclear plants, our modelling estimates that the global share of fossil-fuel-derived electricity could be replaced within 25-34 years. This would allow the world to meet the most stringent greenhouse-gas mitigation targets.

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  7. Liver Function Status in some Nigerian Children with Protein Energy ...

    African Journals Online (AJOL)

    Objective: To ascertain functional status of the liver in Nigeria Children with Protein energy malnutrition. Materials and Methods: Liver function tests were performed on a total of 88 children with protein energy malnutrition (PEM). These were compared with 22 apparently well-nourished children who served as controls.

  8. Energy expressions in density-functional theory using line integrals.

    NARCIS (Netherlands)

    van Leeuwen, R.; Baerends, E.J.

    1995-01-01

    In this paper we will address the question of how to obtain energies from functionals when only the functional derivative is given. It is shown that one can obtain explicit expressions for the exchange-correlation energy from approximate exchange-correlation potentials using line integrals along

  9. Earthquake related displacement fields near underground facilities

    International Nuclear Information System (INIS)

    Pratt, H.R.; Zandt, G.; Bouchon, M.

    1979-04-01

    Relative displacements of rock masses are evaluated in terms of geological evidence, seismological evidence, data from simulation experiments, and analytical predictive models. Numerical models have been developed to determine displacement fields as a function of depth, distance, and azimuth from an earthquake source. Computer calculations for several types of faults indicate that displacements decrease rapidly with distance from the fault, but that displacements can either increase or decrease as a function of depth depending on the type and geometry of the fault. For long shallow vertical strike-slip faults the displacement decreases markedly with depth. For square strike slip faults and for dip slip faults displacement does not decrease as markedly with depth. Geologic structure, material properties, and depth affect the seismic source spectrum. Amplification of the high frequencies of shear waves is larger by a factor of about 2 for layered geologic models than for an elastic half space

  10. New airborne pathogen transport model for upper-room UVGI spaces conditioned by chilled ceiling and mixed displacement ventilation: Enhancing air quality and energy performance

    International Nuclear Information System (INIS)

    Kanaan, Mohamad; Ghaddar, Nesreen; Ghali, Kamel; Araj, Georges

    2014-01-01

    Highlights: • A model of bacteria transport is developed in CC/DV conditioned spaces with UVGI. • The model identifies buoyant, partially mixed, and fully mixed transport zones. • The predicted bacteria concentration agreed well with CFD results. • The higher the supply flow rate, the more restrictive is return air mixing ratio. • Upper-room UVGI results in higher return mixing and 33% in energy savings. - Abstract: The maximum allowable return air ratio in chilled ceiling (CC) and mixed displacement ventilation (DV) system for good air quality is regulated by acceptable levels of CO 2 concentration not to exceed 700 ppm and airborne bacterial count to satisfy World Health Organization (WHO) requirement for bacterial count not to exceed 500 CFU/m 3 . Since the CC/DV system relies on buoyancy effects for driving the contaminated air upwards, infectious particles will recirculate in the upper zone allowing effective utilization of upper-room ultraviolet germicidal irradiation (UVGI) to clean return air. The aim of this work is to develop a new airborne bacteria transport plume-multi-layer zonal model at low computational cost to predict bacteria concentration distribution in mixed CC/DV conditioned room without and with upper-room UVGI installed. The results of the simplified model were compared with layer-averaged concentration predictions of a detailed and experimentally-validated 3-D computational fluid dynamics (CFD) model. The comparison showed good agreement between bacteria transport model results and CFD predictions of room air bacteria concentration with maximum error of ±10.4 CFU/m 3 in exhaust air. The simplified model captured the vertical bacteria concentration distribution in room air as well as the locking effect of highest concentration happening at the stratification level. The developed bacteria transport model was used in a case study to determine the return air mixing ratio that minimizes energy consumption and maintains acceptable IAQ

  11. Analytical potential energy function for the Br + H2 system

    International Nuclear Information System (INIS)

    Kurosaki, Yuzuru

    2001-01-01

    Analytical functions with a many-body expansion for the ground and first-excited-state potential energy surfaces for the Br+H 2 system are newly presented in this work. These functions describe the abstraction and exchange reactions qualitatively well, although it has been found that the function for the ground-state potential surface is still quantitatively unsatisfactory. (author)

  12. Structure and potential energy function for Pu22+ ion

    International Nuclear Information System (INIS)

    Li Quan; Huang Hui; Li Daohua

    2003-01-01

    The theoretical study on Pu 2 2+ using density functional method shows that the molecular ion is metastable. Ground electronic state is 13 Σ g for Pu 2 2+ , the analytic potential energy function is in well agreement with the Z-W function, and the force constants and spectroscopic data have been worked out for the first time

  13. Green close-quote s function method with energy-independent vertex functions

    International Nuclear Information System (INIS)

    Tsay Tzeng, S.Y.; Kuo, T.T.; Tzeng, Y.; Geyer, H.B.; Navratil, P.

    1996-01-01

    In conventional Green close-quote s function methods the vertex function Γ is generally energy dependent. However, a model-space Green close-quote s function method where the vertex function is manifestly energy independent can be formulated using energy-independent effective interaction theories based on folded diagrams and/or similarity transformations. This is discussed in general and then illustrated for a 1p1h model-space Green close-quote s function applied to a solvable Lipkin many-fermion model. The poles of the conventional Green close-quote s function are obtained by solving a self-consistent Dyson equation and model space calculations may lead to unphysical poles. For the energy-independent model-space Green close-quote s function only the physical poles of the model problem are reproduced and are in satisfactory agreement with the exact excitation energies. copyright 1996 The American Physical Society

  14. Modelling toehold-mediated RNA strand displacement.

    Science.gov (United States)

    Šulc, Petr; Ouldridge, Thomas E; Romano, Flavio; Doye, Jonathan P K; Louis, Ard A

    2015-03-10

    We study the thermodynamics and kinetics of an RNA toehold-mediated strand displacement reaction with a recently developed coarse-grained model of RNA. Strand displacement, during which a single strand displaces a different strand previously bound to a complementary substrate strand, is an essential mechanism in active nucleic acid nanotechnology and has also been hypothesized to occur in vivo. We study the rate of displacement reactions as a function of the length of the toehold and temperature and make two experimentally testable predictions: that the displacement is faster if the toehold is placed at the 5' end of the substrate; and that the displacement slows down with increasing temperature for longer toeholds. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  15. Measuring structure functions at SSC energies

    International Nuclear Information System (INIS)

    Morfin, J.G.; Owens, J.F.

    1985-01-01

    Topics discussed include measuring Λ, tests of QCD using hard scattering processes, and measuring parton distributions. In each case, any opportunities and advantages afforded by the unique features of the SSC are emphasized. The working group on structure functions was charged with investigating two specific questions: (1) How well are the various parton distributions known in the kinematic region relevant to calculations for the SSC. (2) What new information can be learned about parton distributions at the SSC. Especially for this working group, the advantages of having a fixed-target facility at the SSC for the measurement of the parton distributions with multi-TeV leptons, were to be examined. 15 references

  16. Zeta-function approach to Casimir energy with singular potentials

    International Nuclear Information System (INIS)

    Khusnutdinov, Nail R.

    2006-01-01

    In the framework of zeta-function approach the Casimir energy for three simple model system: single delta potential, step function potential and three delta potentials are analyzed. It is shown that the energy contains contributions which are peculiar to the potentials. It is suggested to renormalize the energy using the condition that the energy of infinitely separated potentials is zero which corresponds to subtraction all terms of asymptotic expansion of zeta-function. The energy obtained in this way obeys all physically reasonable conditions. It is finite in the Dirichlet limit, and it may be attractive or repulsive depending on the strength of potential. The effective action is calculated, and it is shown that the surface contribution appears. The renormalization of the effective action is discussed

  17. A Cellular Perspective on Brain Energy Metabolism and Functional Imaging

    KAUST Repository

    Magistretti, Pierre J.

    2015-05-01

    The energy demands of the brain are high: they account for at least 20% of the body\\'s energy consumption. Evolutionary studies indicate that the emergence of higher cognitive functions in humans is associated with an increased glucose utilization and expression of energy metabolism genes. Functional brain imaging techniques such as fMRI and PET, which are widely used in human neuroscience studies, detect signals that monitor energy delivery and use in register with neuronal activity. Recent technological advances in metabolic studies with cellular resolution have afforded decisive insights into the understanding of the cellular and molecular bases of the coupling between neuronal activity and energy metabolism and pointat a key role of neuron-astrocyte metabolic interactions. This article reviews some of the most salient features emerging from recent studies and aims at providing an integration of brain energy metabolism across resolution scales. © 2015 Elsevier Inc.

  18. An enviro-economic function for assessing energy resources for district energy systems

    International Nuclear Information System (INIS)

    Rezaie, Behnaz; Reddy, Bale V.; Rosen, Marc A.

    2014-01-01

    District energy (DE) systems provide an important means of mitigating greenhouse gas emissions and the significant related concerns associated with global climate change. DE systems can use fossil fuels, renewable energy and waste heat as energy sources, and facilitate intelligent integration of energy systems. In this study, an enviro-economic function is developed for assessing various energy sources for a district energy system. The DE system is assessed for the considered energy resources by considering two main factors: CO 2 emissions and economics. Using renewable energy resources and associated technologies as the energy suppliers for a DE system yields environmental benefits which can lead to financial advantages through such instruments as tax breaks; while fossil fuels are increasingly penalized by a carbon tax. Considering these factors as well as the financial value of the technology, an analysis approach is developed for energy suppliers of the DE system. In addition, the proposed approach is modified for the case when thermal energy storage is integrated into a DE system. - Highlights: • Developed a function to assess various energy sources for a district energy system. • Considered CO 2 emissions and economics as two main factors. • Applied renewable energy resources technologies as the suppliers for a DE system. • Yields environmental benefits can lead to financial benefits by tax breaks. • Modified enviro-economic function for the TES integrated into a DE system

  19. Kinetic-energy density functional: Atoms and shell structure

    International Nuclear Information System (INIS)

    Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

    1996-01-01

    We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

  20. Surface energy and work function of elemental metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    and noble metals, as derived from the surface tension of liquid metals. In addition, they give work functions which agree with the limited experimental data obtained from single crystals to within 15%, and explain the smooth behavior of the experimental work functions of polycrystalline samples......We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...

  1. Displacement data assimilation

    Energy Technology Data Exchange (ETDEWEB)

    Rosenthal, W. Steven [Pacific Northwest Laboratory, Richland, WA 99354 (United States); Venkataramani, Shankar [Department of Mathematics and Program in Applied Mathematics, University of Arizona, Tucson, AZ 85721 (United States); Mariano, Arthur J. [Rosenstiel School of Marine & Atmospheric Science, University of Miami, Miami, FL 33149 (United States); Restrepo, Juan M., E-mail: restrepo@math.oregonstate.edu [Department of Mathematics, Oregon State University, Corvallis, OR 97331 (United States)

    2017-02-01

    We show that modifying a Bayesian data assimilation scheme by incorporating kinematically-consistent displacement corrections produces a scheme that is demonstrably better at estimating partially observed state vectors in a setting where feature information is important. While the displacement transformation is generic, here we implement it within an ensemble Kalman Filter framework and demonstrate its effectiveness in tracking stochastically perturbed vortices.

  2. Approach to kinetic energy density functionals: Nonlocal terms with the structure of the von Weizsaecker functional

    International Nuclear Information System (INIS)

    Garcia-Aldea, David; Alvarellos, J. E.

    2008-01-01

    We propose a kinetic energy density functional scheme with nonlocal terms based on the von Weizsaecker functional, instead of the more traditional approach where the nonlocal terms have the structure of the Thomas-Fermi functional. The proposed functionals recover the exact kinetic energy and reproduce the linear response function of homogeneous electron systems. In order to assess their quality, we have tested the total kinetic energies as well as the kinetic energy density for atoms. The results show that these nonlocal functionals give as good results as the most sophisticated functionals in the literature. The proposed scheme for constructing the functionals means a step ahead in the field of fully nonlocal kinetic energy functionals, because they are capable of giving better local behavior than the semilocal functionals, yielding at the same time accurate results for total kinetic energies. Moreover, the functionals enjoy the possibility of being evaluated as a single integral in momentum space if an adequate reference density is defined, and then quasilinear scaling for the computational cost can be achieved

  3. Marginal greenhouse gas emissions displacement of wind power in Great Britain

    International Nuclear Information System (INIS)

    Thomson, R. Camilla; Harrison, Gareth P.; Chick, John P.

    2017-01-01

    There is considerable uncertainty over the effect of wind power on the operation of power systems, and the consequent greenhouse gas (GHG) emissions displacement; this is used to project emissions reductions that inform energy policy. Currently, it is approximated as the average emissions of the whole system, despite an acknowledgement that wind will actually displace only the generators operating on the margin. This article presents a methodology to isolate the marginal emissions displacement of wind power from historical empirical data, taking into account the impact on the operating efficiency of coal and CCGT plants. For Great Britain over 2009–2014, it was found that marginal emissions displacement has generally been underestimated with, for example, the emissions displacement factor for wind being 21% higher than that the average emissions factor in 2010. The actual displacement depends upon the relative merit of coal and CCGT, with a greater discrepancy between marginal displacement and average emissions during more normal system operation, suggesting that policies to penalise high-carbon generation can increase the effectiveness of wind at reducing GHG emissions. Furthermore, it was also identified that wind power is almost as technically effective as demand-side reductions at decreasing GHG emissions from power generation. - Highlights: • Marginal emissions displacement was calculated from operational data for 2009–2014. • Existing estimates of emissions displacement are generally low. • Emissions displacement is a function of the relative merit of coal and CCGT plants. • Policies to penalise high-carbon generation should increase emissions displacement. • Wind almost as effective as demand-reduction at reducing emissions.

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

    International Nuclear Information System (INIS)

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

    1982-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1976-02-01

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

  6. On the low-energy behavior of the Adler function

    International Nuclear Information System (INIS)

    Nesterenko, A.V.

    2009-01-01

    The infrared behavior of the Adler function is examined by making use of a recently derived integral representation for the latter. The obtained result for the Adler function agrees with its experimental prediction in the entire energy range. The inclusive τ lepton decay is studied in the framework of the developed approach

  7. On approximation and energy estimates for delta 6-convex functions.

    Science.gov (United States)

    Saleem, Muhammad Shoaib; Pečarić, Josip; Rehman, Nasir; Khan, Muhammad Wahab; Zahoor, Muhammad Sajid

    2018-01-01

    The smooth approximation and weighted energy estimates for delta 6-convex functions are derived in this research. Moreover, we conclude that if 6-convex functions are closed in uniform norm, then their third derivatives are closed in weighted [Formula: see text]-norm.

  8. On approximation and energy estimates for delta 6-convex functions

    Directory of Open Access Journals (Sweden)

    Muhammad Shoaib Saleem

    2018-02-01

    Full Text Available Abstract The smooth approximation and weighted energy estimates for delta 6-convex functions are derived in this research. Moreover, we conclude that if 6-convex functions are closed in uniform norm, then their third derivatives are closed in weighted L2 $L^{2}$-norm.

  9. COULN, a program for evaluating negative energy Coulomb functions

    International Nuclear Information System (INIS)

    Noble, C.J.; Thompson, I.J.

    1984-01-01

    Program COULN calculates exponentially decaying Whittaker functions, Wsub(K,μ)(z) corresponding to negative energy Coulomb functions. The method employed is most appropriate for parameter ranges which commonly occur in atomic and molecular asymptotic scattering problems using a close-coupling approximation in the presence of closed channels. (orig.)

  10. Free energy distribution function of a random Ising ferromagnet

    International Nuclear Information System (INIS)

    Dotsenko, Victor; Klumov, Boris

    2012-01-01

    We study the free energy distribution function of a weakly disordered Ising ferromagnet in terms of the D-dimensional random temperature Ginzburg–Landau Hamiltonian. It is shown that besides the usual Gaussian 'body' this distribution function exhibits non-Gaussian tails both in the paramagnetic and in the ferromagnetic phases. Explicit asymptotic expressions for these tails are derived. It is demonstrated that the tails are strongly asymmetric: the left tail (for large negative values of the free energy) is much slower than the right one (for large positive values of the free energy). It is argued that at the critical point the free energy of the random Ising ferromagnet in dimensions D < 4 is described by a non-trivial universal distribution function which is non-self-averaging

  11. Displacer Diameter Effect in Displacer Pulse Tube Refrigerator

    Science.gov (United States)

    Zhu, Shaowei

    2017-12-01

    Gas driving displacer pulse tube refrigerators are one of the work recovery type of pulse tube refrigerators whose theoretical efficiency is the same as Stirling refrigerators'. Its cooling power is from the displacement of the displacer. Displace diameter, rod diameter and pressure drop of the regenerator influence the displacement, which are investigated by numerical simulation. It is shown that the displacement ratio of the displacer over the piston is almost not affected by the displacer diameter at the same rod diameter ratio, or displacer with different diameters almost has the same performance.

  12. Modelling of cation displacements in SrTiO.sub.3./sub. by means of multi-energy anomalous X-ray diffuse scattering

    Czech Academy of Sciences Publication Activity Database

    Kopecký, Miloš; Fábry, Jan; Kub, Jiří

    2016-01-01

    Roč. 49, Jun (2016), 1016-1020 ISSN 1600-5767 R&D Projects: GA ČR GA15-04121S Institutional support: RVO:68378271 Keywords : X-ray diffuse scattering * atomic displacements * anomalous X-ray scattering * SrTiO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.495, year: 2016

  13. Inferring Parametric Energy Consumption Functions at Different Software Levels

    DEFF Research Database (Denmark)

    Liqat, Umer; Georgiou, Kyriakos; Kerrison, Steve

    2016-01-01

    The static estimation of the energy consumed by program executions is an important challenge, which has applications in program optimization and verification, and is instrumental in energy-aware software development. Our objective is to estimate such energy consumption in the form of functions...... on the input data sizes of programs. We have developed a tool for experimentation with static analysis which infers such energy functions at two levels, the instruction set architecture (ISA) and the intermediate code (LLVM IR) levels, and reflects it upwards to the higher source code level. This required...... the development of a translation from LLVM IR to an intermediate representation and its integration with existing components, a translation from ISA to the same representation, a resource analyzer, an ISA-level energy model, and a mapping from this model to LLVM IR. The approach has been applied to programs...

  14. Geometric interpretation of density displacements and charge ...

    Indian Academy of Sciences (India)

    Unknown

    The “geometric” interpretation of the electronic density displacements in the Hilbert space is ... an attitude is also close to the chemical thinking ..... These vectors explicitly define the corresponding ..... chain-rule for implicit functionals: p p. N p.

  15. Functionalization of graphene for efficient energy conversion and storage.

    Science.gov (United States)

    Dai, Liming

    2013-01-15

    As global energy consumption accelerates at an alarming rate, the development of clean and renewable energy conversion and storage systems has become more important than ever. Although the efficiency of energy conversion and storage devices depends on a variety of factors, their overall performance strongly relies on the structure and properties of the component materials. Nanotechnology has opened up new frontiers in materials science and engineering to meet this challenge by creating new materials, particularly carbon nanomaterials, for efficient energy conversion and storage. As a building block for carbon materials of all other dimensionalities (such as 0D buckyball, 1D nanotube, 3D graphite), the two-dimensional (2D) single atomic carbon sheet of graphene has emerged as an attractive candidate for energy applications due to its unique structure and properties. Like other materials, however, a graphene-based material that possesses desirable bulk properties rarely features the surface characteristics required for certain specific applications. Therefore, surface functionalization is essential, and researchers have devised various covalent and noncovalent chemistries for making graphene materials with the bulk and surface properties needed for efficient energy conversion and storage. In this Account, I summarize some of our new ideas and strategies for the controlled functionalization of graphene for the development of efficient energy conversion and storage devices, such as solar cells, fuel cells, supercapacitors, and batteries. The dangling bonds at the edge of graphene can be used for the covalent attachment of various chemical moieties while the graphene basal plane can be modified via either covalent or noncovalent functionalization. The asymmetric functionalization of the two opposite surfaces of individual graphene sheets with different moieties can lead to the self-assembly of graphene sheets into hierarchically structured materials. Judicious

  16. Evaluation of NEB energy markets and supply monitoring function

    International Nuclear Information System (INIS)

    2003-09-01

    Canada's National Energy Board regulates the exports of oil, natural gas, natural gas liquids and electricity. It also regulates the construction, operation and tolls of international and interprovincial pipelines and power lines. It also monitors energy supply and market developments in Canada. The Board commissioned an evaluation of the monitoring function to ensure the effectiveness and efficiency of the monitoring activities, to identify gaps in these activities and to propose recommendations. The objectives of the monitoring mandate are to provide Canadians with information regarding Canadian energy markets, energy supply and demand, and to ensure that exports of natural gas, oil, natural gas liquids and electricity do not occur at the detriment of Canadian energy users. The Board ensures that Canadians have access to domestically produced energy on terms that are as favourable as those available to export buyers. The following recommendations were proposed to improve the monitoring of energy markets and supply: (1) increase focus and analysis on the functioning of gas (first priority) and other commodity markets, (2) increase emphasis on forward-looking market analysis and issue identification, (3) demonstrate continued leadership by encouraging public dialogue on a wide range of energy market issues, (4) improve communication and increase visibility of the NEB within the stakeholder community, (5) build on knowledge management and organizational learning capabilities, (6) improve communication and sharing of information between the Applications and Commodities Business Units, and (7) enhance organizational effectiveness of the Commodities Business Unit. figs

  17. Energy functionals for medical image segmentation: choices and consequences

    OpenAIRE

    McIntosh, Christopher

    2011-01-01

    Medical imaging continues to permeate the practice of medicine, but automated yet accurate segmentation and labeling of anatomical structures continues to be a major obstacle to computerized medical image analysis. Though there exists numerous approaches for medical image segmentation, one in particular has gained increasing popularity: energy minimization-based techniques, and the large set of methods encompassed therein. With these techniques an energy function must be chosen, segmentations...

  18. Energy absorption behaviors of nanoporous materials functionalized (NMF) liquids

    OpenAIRE

    Kim, Tae Wan

    2011-01-01

    For many decades, people have been actively investigating high-performance energy absorption materials, so as to develop lightweight and small-sized protective and damping devices, such as blast mitigation helmets, vehicle armors, etc. Recently, the high energy absorption efficiency of nanoporous materials functionalized (NMF) liquids has drawn considerable attention. A NMF liquid is usually a liquid suspension of nanoporous particles with large nanopore surface areas (100 - 2,000 m²/g). The ...

  19. New approach of determinations of earthquake moment magnitude using near earthquake source duration and maximum displacement amplitude of high frequency energy radiation

    Energy Technology Data Exchange (ETDEWEB)

    Gunawan, H.; Puspito, N. T.; Ibrahim, G.; Harjadi, P. J. P. [ITB, Faculty of Earth Sciences and Tecnology (Indonesia); BMKG (Indonesia)

    2012-06-20

    The new approach method to determine the magnitude by using amplitude displacement relationship (A), epicenter distance ({Delta}) and duration of high frequency radiation (t) has been investigated for Tasikmalaya earthquake, on September 2, 2009, and their aftershock. Moment magnitude scale commonly used seismic surface waves with the teleseismic range of the period is greater than 200 seconds or a moment magnitude of the P wave using teleseismic seismogram data and the range of 10-60 seconds. In this research techniques have been developed a new approach to determine the displacement amplitude and duration of high frequency radiation using near earthquake. Determination of the duration of high frequency using half of period of P waves on the seismograms displacement. This is due tothe very complex rupture process in the near earthquake. Seismic data of the P wave mixing with other wave (S wave) before the duration runs out, so it is difficult to separate or determined the final of P-wave. Application of the 68 earthquakes recorded by station of CISI, Garut West Java, the following relationship is obtained: Mw = 0.78 log (A) + 0.83 log {Delta}+ 0.69 log (t) + 6.46 with: A (m), d (km) and t (second). Moment magnitude of this new approach is quite reliable, time processing faster so useful for early warning.

  20. New approach of determinations of earthquake moment magnitude using near earthquake source duration and maximum displacement amplitude of high frequency energy radiation

    Science.gov (United States)

    Gunawan, H.; Puspito, N. T.; Ibrahim, G.; Harjadi, P. J. P.

    2012-06-01

    The new approach method to determine the magnitude by using amplitude displacement relationship (A), epicenter distance (Δ) and duration of high frequency radiation (t) has been investigated for Tasikmalaya earthquake, on September 2, 2009, and their aftershock. Moment magnitude scale commonly used seismic surface waves with the teleseismic range of the period is greater than 200 seconds or a moment magnitude of the P wave using teleseismic seismogram data and the range of 10-60 seconds. In this research techniques have been developed a new approach to determine the displacement amplitude and duration of high frequency radiation using near earthquake. Determination of the duration of high frequency using half of period of P waves on the seismograms displacement. This is due tothe very complex rupture process in the near earthquake. Seismic data of the P wave mixing with other wave (S wave) before the duration runs out, so it is difficult to separate or determined the final of P-wave. Application of the 68 earthquakes recorded by station of CISI, Garut West Java, the following relationship is obtained: Mw = 0.78 log (A) + 0.83 log Δ + 0.69 log (t) + 6.46 with: A (m), d (km) and t (second). Moment magnitude of this new approach is quite reliable, time processing faster so useful for early warning.

  1. New approach of determinations of earthquake moment magnitude using near earthquake source duration and maximum displacement amplitude of high frequency energy radiation

    International Nuclear Information System (INIS)

    Gunawan, H.; Puspito, N. T.; Ibrahim, G.; Harjadi, P. J. P.

    2012-01-01

    The new approach method to determine the magnitude by using amplitude displacement relationship (A), epicenter distance (Δ) and duration of high frequency radiation (t) has been investigated for Tasikmalaya earthquake, on September 2, 2009, and their aftershock. Moment magnitude scale commonly used seismic surface waves with the teleseismic range of the period is greater than 200 seconds or a moment magnitude of the P wave using teleseismic seismogram data and the range of 10-60 seconds. In this research techniques have been developed a new approach to determine the displacement amplitude and duration of high frequency radiation using near earthquake. Determination of the duration of high frequency using half of period of P waves on the seismograms displacement. This is due tothe very complex rupture process in the near earthquake. Seismic data of the P wave mixing with other wave (S wave) before the duration runs out, so it is difficult to separate or determined the final of P-wave. Application of the 68 earthquakes recorded by station of CISI, Garut West Java, the following relationship is obtained: Mw = 0.78 log (A) + 0.83 log Δ+ 0.69 log (t) + 6.46 with: A (m), d (km) and t (second). Moment magnitude of this new approach is quite reliable, time processing faster so useful for early warning.

  2. Range and energy functions of interest in neutron dosimetry

    International Nuclear Information System (INIS)

    Bhatia, D.P.; Nagarajan, P.S.

    1978-01-01

    This report documents the energy and range functions generated and used in fast neutron interface dosimetry studies. The basic data of stopping power employed are the most recent. The present report covers a number of media mainly air, oxygen, nitrogen, polythene, graphite, bone and tissue, and a number of charged particles, namely protons, alphas, 9 Be, 11 B, 12 C, 13 C, 14 N and 16 O. These functions would be useful for generation of energy and range values for any of the above particles in any of the above media within +- 1% in any dosimetric calculations. (author)

  3. Kinetic-energy functionals studied by surface calculations

    DEFF Research Database (Denmark)

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

    1998-01-01

    The self-consistent jellium model of metal surfaces is used to study the accuracy of a number of semilocal kinetic-energy functionals for independent particles. It is shown that the poor accuracy exhibited by the gradient expansion approximation and most of the semiempirical functionals in the lo...... density, high gradient limit may be subtantially improved by including locally a von Weizsacker term. Based on this, we propose a simple one-parameter Pade's approximation, which reproduces the exact Kohn-Sham surface kinetic energy over the entire range of metallic densities....

  4. Etiopathogenesis of abomasal displacement in cattle

    Directory of Open Access Journals (Sweden)

    Šamanc Horea

    2003-01-01

    Full Text Available Abomasal displacement presents topographic gastropathy, where this organ has changed its position, and there is simultaneous dilatation which can vary in intensity. The incidence of this disorder in herds of high-yield dairy cows varies to a great degree (1 to 18 %. Abomasal displacement was established in herds of East-Frisian cows in 1 to 3% animals, and in Holstein cow herds in 5 to 18 % animals. The most frequent abomasal displacement is to the left (88%. There is significant seasonal variation in the incidence of abomasal displacement. About two-thirds of cases of abomasal displacement are diagnosed from October until April. The disorder appears more frequently in cows with repeated lactations. It has been established that it appears after the first calving in 27.8% cases, after the second to fifth calving in 66.7% cases, and after the sixth and seventh calving in 5.5% of the cows. The response of endocrine pancreas B-cells for insulin secretion to hyperglycaemia caused by applying an excess-glucose test is reduced in cows with left abomasal displacement, and there is constant hyperglycaemia in cows with right abomasal displacement. The excess-glucose test indicates a disrupted function of the endocrine pancreas in diseased animals. It has been determined through examinations of Aml genotypes in Holstein cow herds in connection with the appearance of abomasal displacement, that the occurrence of this disorder cannot be attributed to a genetic predisposition.

  5. Lateral displacement in small angle multiple scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bichsel, H.; Hanson, K.M.; Schillaci, K.M. (Los Alamos National Lab., NM (USA))

    1982-07-01

    Values have been calculated for the average lateral displacement in small angle multiple scattering of protons with energies of several hundred MeV. The calculations incorporate the Moliere distribution which does not make the gaussian approximations of the distribution in projected angle and lateral deflections. Compared to other published data, such approximations can lead to errors in the lateral displacement of up to 10% in water.

  6. Exchanging and Storing Energy. Reducing Energy Demand through Heat Exchange between Functions and Temporary Storage

    Energy Technology Data Exchange (ETDEWEB)

    Sillem, E.

    2011-06-15

    As typical office buildings from the nineties have large heating and cooling installations to provide heat or cold wherever and whenever needed, more recent office buildings have almost no demand for heating due to high internal heat loads caused by people, lighting and office appliances and because of the great thermal qualities of the contemporary building envelope. However, these buildings still have vast cooling units to cool down servers and other energy consuming installations. At the same time other functions such as dwellings, swimming pools, sporting facilities, archives and museums still need to be heated most of the year. In the current building market there is an increasing demand for mixed-use buildings or so called hybrid buildings. The Science Business Centre is no different and houses a conference centre, offices, a museum, archives, an exhibition space and a restaurant. From the initial program brief it seemed that the building will simultaneously house functions that need cooling most of the year and functions that will need to be heated the majority of the year. Can this building be equipped with a 'micro heating and cooling network' and where necessary temporarily store energy? With this idea a research proposal was formulated. How can the demand for heating and cooling of the Science Business Centre be reduced by using energy exchange between different kinds of functions and by temporarily storing energy? In conclusion the research led to: four optimized installation concepts; short term energy storage in pavilion concept and museum; energy exchange between the restaurant and archives; energy exchange between the server space and the offices; the majority of heat and cold will be extracted from the soil (long term energy storage); the access heat will be generated by the energy roof; PV cells from the energy roof power all climate installations; a total energy plan for the Science Business Centre; a systematic approach for exchanging

  7. Energy vs. density on paths toward more exact density functionals.

    Science.gov (United States)

    Kepp, Kasper P

    2018-03-14

    Recently, the progression toward more exact density functional theory has been questioned, implying a need for more formal ways to systematically measure progress, i.e. a "path". Here I use the Hohenberg-Kohn theorems and the definition of normality by Burke et al. to define a path toward exactness and "straying" from the "path" by separating errors in ρ and E[ρ]. A consistent path toward exactness involves minimizing both errors. Second, a suitably diverse test set of trial densities ρ' can be used to estimate the significance of errors in ρ without knowing the exact densities which are often inaccessible. To illustrate this, the systems previously studied by Medvedev et al., the first ionization energies of atoms with Z = 1 to 10, the ionization energy of water, and the bond dissociation energies of five diatomic molecules were investigated using CCSD(T)/aug-cc-pV5Z as benchmark at chemical accuracy. Four functionals of distinct designs was used: B3LYP, PBE, M06, and S-VWN. For atomic cations regardless of charge and compactness up to Z = 10, the energy effects of the different ρ are energy-wise insignificant. An interesting oscillating behavior in the density sensitivity is observed vs. Z, explained by orbital occupation effects. Finally, it is shown that even large "normal" problems such as the Co-C bond energy of cobalamins can use simpler (e.g. PBE) trial densities to drastically speed up computation by loss of a few kJ mol -1 in accuracy. The proposed method of using a test set of trial densities to estimate the sensitivity and significance of density errors of functionals may be useful for testing and designing new balanced functionals with more systematic improvement of densities and energies.

  8. Determination of the displacement cross section in single-walled carbon nanotubes under gamma irradiation

    International Nuclear Information System (INIS)

    Leyva, A.; Pinnera, I.; Cruz, C.; Abreu, Y.; Leyva, D.

    2009-01-01

    Using the threshold energy value reported in literature for C atoms in single-walled carbon nanotube and taking into account the McKinley-Feshbach approach, the effective atomic displacement cross-section in nanotubes exposed to the gamma rays was estimated. In this calculation the Kinchin-Pease approximation for the damage function was considered. (Author)

  9. AN ENERGY FUNCTION APPROACH FOR FINDING ROOTS OF CHARACTERISTIC EQUATION

    OpenAIRE

    Deepak Mishra; Prem K. Kalra

    2011-01-01

    In this paper, an energy function approach for finding roots of a characteristic equation has been proposed. Finding the roots of a characteristics equation is considered as an optimization problem. We demonstrated that this problem can be solved with the application of feedback type neural network. The proposed approach is fast and robust against variation of parameter.

  10. El strength function at high spin and excitation energy

    International Nuclear Information System (INIS)

    Barrette, J.

    1983-04-01

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

  11. Ab initio derivation of model energy density functionals

    International Nuclear Information System (INIS)

    Dobaczewski, Jacek

    2016-01-01

    I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application allows for linking properties of finite nuclei, determined by using the nuclear nonlocal Gogny functional, to the coupling constants of the quasilocal Skyrme functional. The method does not rely on properties of infinite fermion systems but on the ab initio calculations in finite systems. It also allows for quantifying merits of different model EDFs in describing the ab initio results. (letter)

  12. On the asymptotic evolution of finite energy Airy wave functions.

    Science.gov (United States)

    Chamorro-Posada, P; Sánchez-Curto, J; Aceves, A B; McDonald, G S

    2015-06-15

    In general, there is an inverse relation between the degree of localization of a wave function of a certain class and its transform representation dictated by the scaling property of the Fourier transform. We report that in the case of finite energy Airy wave packets a simultaneous increase in their localization in the direct and transform domains can be obtained as the apodization parameter is varied. One consequence of this is that the far-field diffraction rate of a finite energy Airy beam decreases as the beam localization at the launch plane increases. We analyze the asymptotic properties of finite energy Airy wave functions using the stationary phase method. We obtain one dominant contribution to the long-term evolution that admits a Gaussian-like approximation, which displays the expected reduction of its broadening rate as the input localization is increased.

  13. KIDS Nuclear Energy Density Functional: 1st Application in Nuclei

    Science.gov (United States)

    Gil, Hana; Papakonstantinou, Panagiota; Hyun, Chang Ho; Oh, Yongseok

    We apply the KIDS (Korea: IBS-Daegu-Sungkyunkwan) nuclear energy density functional model, which is based on the Fermi momentum expansion, to the study of properties of lj-closed nuclei. The parameters of the model are determined by the nuclear properties at the saturation density and theoretical calculations on pure neutron matter. For applying the model to the study of nuclei, we rely on the Skyrme force model, where the Skyrme force parameters are determined through the KIDS energy density functional. Solving Hartree-Fock equations, we obtain the energies per particle and charge radii of closed magic nuclei, namely, 16O, 28O, 40Ca, 48Ca, 60Ca, 90Zr, 132Sn, and 208Pb. The results are compared with the observed data and further improvement of the model is shortly mentioned.

  14. Comment on 'Kinetic energy as a density functional'

    International Nuclear Information System (INIS)

    Holas, A.; March, N.H.

    2002-01-01

    In a recent paper, Nesbet [Phys. Rev. A 65, 010502(R) (2001)] has proposed dropping ''the widespread but unjustified assumption that the existence of a ground-state density functional for the kinetic energy, T s [ρ], of an N-electron system implies the existence of a density-functional derivative, δT s [ρ]/δρ(r), equivalent to a local potential function,'' because, according to his arguments, this derivative 'has the mathematical character of a linear operator that acts on orbital wave functions'. Our Comment demonstrates that the statement called by Nesbet an 'unjustified assumption' happens, in fact, to be a rigorously proven theorem. Therefore, his previous conclusions stemming from his different view of this derivative, which undermined the foundations of density-functional theory, can be discounted

  15. Nuclear response functions at large energy and momentum transfer

    International Nuclear Information System (INIS)

    Bertozzi, W.; Moniz, E.J.; Lourie, R.W.

    1991-01-01

    Quasifree nucleon processes are expected to dominate the nuclear electromagnetic response function for large energy and momentum transfers, i.e., for energy transfers large compared with nuclear single particle energies and momentum transfers large compared with typical nuclear momenta. Despite the evident success of the quasifree picture in providing the basic frame work for discussing and understanding the large energy, large momentum nuclear response, the limits of this picture have also become quite clear. In this article a selected set of inclusive and coincidence data are presented in order to define the limits of the quasifree picture more quantitatively. Specific dynamical mechanisms thought to be important in going beyond the quasifree picture are discussed as well. 75 refs, 37 figs

  16. Water displacement mercury pump

    Science.gov (United States)

    Nielsen, M.G.

    1984-04-20

    A water displacement mercury pump has a fluid inlet conduit and diffuser, a valve, a pressure cannister, and a fluid outlet conduit. The valve has a valve head which seats in an opening in the cannister. The entire assembly is readily insertable into a process vessel which produces mercury as a product. As the mercury settles, it flows into the opening in the cannister displacing lighter material. When the valve is in a closed position, the pressure cannister is sealed except for the fluid inlet conduit and the fluid outlet conduit. Introduction of a lighter fluid into the cannister will act to displace a heavier fluid from the cannister via the fluid outlet conduit. The entire pump assembly penetrates only a top wall of the process vessel, and not the sides or the bottom wall of the process vessel. This insures a leak-proof environment and is especially suitable for processing of hazardous materials.

  17. Multi functional roof structures of the energy efficient buildings

    Directory of Open Access Journals (Sweden)

    Krstić Aleksandra

    2006-01-01

    Full Text Available Modern architectural concepts, which are based on rational energy consumption of buildings and the use of solar energy as a renewable energy source, give the new and significant role to the roofs that become multifunctional structures. Various energy efficient roof structures and elements, beside the role of protection, provide thermal and electric energy supply, natural ventilation and cooling of a building, natural lighting of the indoor space sunbeam protection, water supply for technical use, thus according to the above mentioned functions, classification and analysis of such roof structures and elements are made in this paper. The search for new architectural values and optimization in total energy balance of a building or the likewise for the urban complex, gave to roofs the role of "climatic membranes". Contemporary roof forms and materials clearly exemplify their multifunctional features. There are numerous possibilities to achieve the new and attractive roof design which broadens to the whole construction. With such inducement, this paper principally analyze the configuration characteristics of the energy efficient roof structures and elements, as well as the visual effects that may be achieved by their application.

  18. Mass defect of 37Cl(t, p)39Cl: Coulomb displacement energy of the T=5/2, Jsup(π)=3+/2 states in 39Cl-39Ar

    International Nuclear Information System (INIS)

    Antony, M.S.; Britz, J.; Bueb, J.B.; Pape, A.

    1984-01-01

    From the Q-value (5701.9+-2.5)keV of the reaction 37 Cl(t, p) 39 Cl, the ground-state mass defect of 39 Cl is found to be (-29802.8+-2.5)keV, an improvement upon the existing value of (-29803+-18)keV. The Coulomb displacement energy of the mirror nuclei 39 Cl- 39 Ar for T=5/2, Jsup(π)=3 + /2 is found to be (6422.1+-10.6)keV. The r 0 parameter of the charge radius is approximately 1.32 fm for A=39

  19. Internal Displacement: Livelihood saving responses

    OpenAIRE

    Deborah Hines

    2001-01-01

    Deborah Hines explores how to assist the internally displaced and those prone to displacement. She considers the major causes of internal displacement, making the case for a more comprehensive set of policy and operational actions in response to situations of internal displacement. Development (2001) 44, 34–39. doi:10.1057/palgrave.development.1110289

  20. Free energy functionals for polarization fluctuations: Pekar factor revisited.

    Science.gov (United States)

    Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

    2017-02-14

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  1. Free energy functionals for polarization fluctuations: Pekar factor revisited

    International Nuclear Information System (INIS)

    Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

    2017-01-01

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. This separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom, within dielectric continuum models. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. We study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. But, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  2. Hydrophilic functionalized silicon nanoparticles produced by high energy ball milling

    Science.gov (United States)

    Hallmann, Steffen

    The mechanochemical synthesis of functionalized silicon nanoparticles using High Energy Ball Milling (HEBM) is described. This method facilitates the fragmentation of mono crystalline silicon into the nanometer regime and the simultaneous surface functionalization of the formed particles. The surface functionalization is induced by the reaction of an organic liquid, such as alkynes and alkenes with reactive silicon sites. This method can be applied to form water soluble silicon nanoparticles by lipid mediated micelle formation and the milling in organic liquids containing molecules with bi-functional groups, such as allyl alcohol. Furthermore, nanometer sized, chloroalkyl functionalized particles can be synthesized by milling the silicon precursor in the presence of an o-chloroalkyne with either alkenes or alkynes as coreactants. This process allows tuning of the concentration of the exposed, alkyl linked chloro groups, simply by varying the relative amounts of the coreactant. The silicon nanoparticles that are formed serve as the starting point for a wide variety of chemical reactions, which may be used to alter the surface properties of the functionalized nanoparticles. Finally, the use of functionalized silicon particles for the production of superhydrophobic films is described. Here HEBM proves to be an efficient method to produce functionalized silicon particles, which can be deposited to form a stable coating exhibiting superhydrophobic properties. The hydrophobicity of the silicon film can be tuned by the milling time and thus the resulting surface roughness of the films.

  3. Many-body theory and Energy Density Functionals

    Energy Technology Data Exchange (ETDEWEB)

    Baldo, M. [INFN, Catania (Italy)

    2016-07-15

    In this paper a method is first presented to construct an Energy Density Functional on a microscopic basis. The approach is based on the Kohn-Sham method, where one introduces explicitly the Nuclear Matter Equation of State, which can be obtained by an accurate many-body calculation. In this way it connects the functional to the bare nucleon-nucleon interaction. It is shown that the resulting functional can be performing as the best Gogny force functional. In the second part of the paper it is shown how one can go beyond the mean-field level and the difficulty that can appear. The method is based on the particle-vibration coupling scheme and a formalism is presented that can handle the correct use of the vibrational degrees of freedom within a microscopic approach. (orig.)

  4. Displacement compressors - acceptance tests

    CERN Document Server

    International Organization for Standardization. Geneva

    1996-01-01

    ISO 1217:2009 specifies methods for acceptance tests regarding volume rate of flow and power requirements of displacement compressors. It also specifies methods for testing liquid-ring type compressors and the operating and testing conditions which apply when a full performance test is specified.

  5. Piezoelectric displacement in ceramics

    International Nuclear Information System (INIS)

    Stewart, M.; Cain, M.; Gee, M.

    1999-01-01

    This Good Practice Guide is intended to aid a user to perform displacement measurements on piezoelectric ceramic materials such as PZT (lead zirconium titanate) in either monolithic or multilayer form. The various measurement issues that the user must consider are addressed, and good measurement practise is described for the four most suitable methods. (author)

  6. Efficient modified Jacobi relaxation for minimizing the energy functional

    International Nuclear Information System (INIS)

    Park, C.H.; Lee, I.; Chang, K.J.

    1993-01-01

    We present an efficient scheme of diagonalizing large Hamiltonian matrices in a self-consistent manner. In the framework of the preconditioned conjugate gradient minimization of the energy functional, we replace the modified Jacobi relaxation for preconditioning and use for band-by-band minimization the restricted-block Davidson algorithm, in which only the previous wave functions and the relaxation vectors are included additionally for subspace diagonalization. Our scheme is found to be comparable with the preconditioned conjugate gradient method for both large ordered and disordered Si systems, while it is more rapidly converged for systems with transition-metal elements

  7. Trivial constraints on orbital-free kinetic energy density functionals

    Science.gov (United States)

    Luo, Kai; Trickey, S. B.

    2018-03-01

    Approximate kinetic energy density functionals (KEDFs) are central to orbital-free density functional theory. Limitations on the spatial derivative dependencies of KEDFs have been claimed from differential virial theorems. We identify a central defect in the argument: the relationships are not true for an arbitrary density but hold only for the minimizing density and corresponding chemical potential. Contrary to the claims therefore, the relationships are not constraints and provide no independent information about the spatial derivative dependencies of approximate KEDFs. A simple argument also shows that validity for arbitrary v-representable densities is not restored by appeal to the density-potential bijection.

  8. The electron energy distribution function of noble gases with flow

    International Nuclear Information System (INIS)

    Karditsas, P.J.

    1989-01-01

    The treatment of the Boltzmann equation by several investigators, for the determination of the electron energy distribution function (EEDF) in noble gases was restricted to static discharges. It is of great interest to magnetoplasmadynamic power generation to develop the Boltzmann equation to account for the effect of the bulk fluid flow on the EEDF. The two term expansion of the Boltzmann equation, as given, results in additional terms introduced to the equations due to the bulk fluid flow, with velocity u

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-11-14

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

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

    International Nuclear Information System (INIS)

    Shamim, Md; Harbola, Manoj K

    2010-01-01

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

  11. Displaced abomasum and ketosis in dairy cows

    OpenAIRE

    Stengärde, Lena

    2010-01-01

    High producing dairy cows struggle to meet energy demands and handle various transitional changes in late gestation and early lactation. Negative energy balance in early lactation is inevitable and metabolic disorders may follow as a consequence of a deep negative energy balance. This thesis studies associations between blood profiles and body condition score (BCS) in dairy cows, and displaced abomasum (DA) or clinical ketosis, and investigates risk factors for the two diseases at the herd le...

  12. Experimental determinations of correction factors as a function of vertical displacement of radioactive sources in the radionuclide calibrators of the CRCN-NE, Pernambuco, Brazil

    International Nuclear Information System (INIS)

    Fragoso, Maria da Conceiao de Farias; Albuquerque, Antonio Morais de Sa; Lacerda, Isabelle Viviane Batista de; Oliveira, Mercia L.

    2011-01-01

    In nuclear medicine, the accurate knowledge of the activity of radio-pharmaceuticals which will be administered to the patients is an important factor to ensure the success of diagnosis or therapy. The activity measurements are performed in reentrant ionization chambers, also known as radionuclide calibrators. These equipment are sensitive to changes in radioactive sample geometry and its position within the chamber well. The purpose this work was to evaluate the behavior of radionuclide calibrators by means of vertical displacement of radioactive sources in the well and to determine experimentally the correction factors for each radionuclide, recognizing the specific positions in which the measurements must be made to ensure the highest sensitivity. The highest activity was obtained between 6 and 8 cm from the bottom of the well for both radionuclide calibrators utilized at this work. (author)

  13. Experimental determinations of correction factors as a function of vertical displacement of radioactive sources in the radionuclide calibrators of the CRCN-NE, Pernambuco, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Fragoso, Maria da Conceiao de Farias; Albuquerque, Antonio Morais de Sa; Lacerda, Isabelle Viviane Batista de; Oliveira, Mercia L. [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, MG (Brazil)

    2011-07-01

    In nuclear medicine, the accurate knowledge of the activity of radio-pharmaceuticals which will be administered to the patients is an important factor to ensure the success of diagnosis or therapy. The activity measurements are performed in reentrant ionization chambers, also known as radionuclide calibrators. These equipment are sensitive to changes in radioactive sample geometry and its position within the chamber well. The purpose this work was to evaluate the behavior of radionuclide calibrators by means of vertical displacement of radioactive sources in the well and to determine experimentally the correction factors for each radionuclide, recognizing the specific positions in which the measurements must be made to ensure the highest sensitivity. The highest activity was obtained between 6 and 8 cm from the bottom of the well for both radionuclide calibrators utilized at this work. (author)

  14. A new empirical potential energy function for Ar2

    Science.gov (United States)

    Myatt, Philip T.; Dham, Ashok K.; Chandrasekhar, Pragna; McCourt, Frederick R. W.; Le Roy, Robert J.

    2018-06-01

    A critical re-analysis of all available spectroscopic and virial coefficient data for Ar2 has been used to determine an improved empirical analytic potential energy function that has been 'tuned' to optimise its agreement with viscosity, diffusion and thermal diffusion data, and whose short-range behaviour is in reasonably good agreement with the most recent ab initio calculations for this system. The recommended Morse/long-range potential function is smooth and differentiable at all distances, and incorporates both the correct theoretically predicted long-range behaviour and the correct limiting short-range functional behaviour. The resulting value of the well depth is ? cm-1 and the associated equilibrium distance is re = 3.766 (±0.002) Å, while the 40Ar s-wave scattering length is -714 Å.

  15. Energy demand with the flexible double-logarithmic functional form

    International Nuclear Information System (INIS)

    Nan, G.D.; Murry, D.A.

    1992-01-01

    A flexible double-logarithmic function form is developed to meet assumptions of consumer behavior. Then annual residential and commercial data (1970-87) are applied to this functional form to examine demand for petroleum products, electricity, and natural gas in California. The traditional double log-linear functional form has shortcomings of constant elasticities. The regression equations in this study, with varied estimated elasticities, overcome some of these shortcomings. All short-run own-price elasticities are inelastic and all income elasticities are close to unity in this study. According to the short-run time-trend elasticities, consumers' fuel preference in California is electricity. The long-run income elasticities also indicate that the residential consumers will consume more electricity and natural gas as their energy budgets increase in the long run. 14 refs., 5 tabs

  16. Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations.

    Science.gov (United States)

    Horn, Paul R; Head-Gordon, Martin

    2016-02-28

    In energy decomposition analysis (EDA) of intermolecular interactions calculated via density functional theory, the initial supersystem wavefunction defines the so-called "frozen energy" including contributions such as permanent electrostatics, steric repulsions, and dispersion. This work explores the consequences of the choices that must be made to define the frozen energy. The critical choice is whether the energy should be minimized subject to the constraint of fixed density. Numerical results for Ne2, (H2O)2, BH3-NH3, and ethane dissociation show that there can be a large energy lowering associated with constant density orbital relaxation. By far the most important contribution is constant density inter-fragment relaxation, corresponding to charge transfer (CT). This is unwanted in an EDA that attempts to separate CT effects, but it may be useful in other contexts such as force field development. An algorithm is presented for minimizing single determinant energies at constant density both with and without CT by employing a penalty function that approximately enforces the density constraint.

  17. Impact of energy efficiency gains on output and energy use with Cobb-Douglas production function

    International Nuclear Information System (INIS)

    Wei Taoyuan

    2007-01-01

    A special issue of Energy Policy-28 (2000)-was devoted to a collection of papers, edited by Dr. Lee Schipper. The collection included a paper entitled 'A view from the macro side: rebound, backfire, and Khazzoom-Brookes' in which it was argued that the impact of fuel efficiency gains on output (roughly, GDP) is likely to be relatively small by Cobb-Douglas production function. However, an error in the analysis leads to under-estimation of the long-term impact. This paper first provides a partial equilibrium analysis by an alternative method for the same case and then proceeds to an analysis on the issue in a two-sector general equilibrium system. In the latter analysis, energy price is internalized. Both energy use efficiency and energy production efficiency are involved

  18. Consequences of wave function orthogonality for medium energy nuclear reactions

    International Nuclear Information System (INIS)

    Noble, J.V.

    1978-01-01

    In the usual models of high-energy bound-state to continuum transitions no account is taken of the orthogonality of the bound and continuum wave functions. This orthogonality induces considerable cancellations in the overlap integrals expressing the transition amplitudes for reactions such as (e,e'p), (γ,p), and (π,N), which are simply not included in the distorted-wave Born-approximation calculations which to date remain the only computationally feasible heirarchy of approximations. The object of this paper is to present a new formulation of the bound-state to continuum transition problem, based upon flux conservation, in which the orthogonality of wave functions is taken into account ab initio. The new formulation, while exact if exact wave functions are used, offers the possibility of using approximate wave functions for the continuum states without doing violence to the cancellations induced by orthogonality. The method is applied to single-particle states obeying the Schroedinger and Dirac equations, as well as to a coupled-channel model in which absorptive processes can be described in a fully consistent manner. Several types of absorption vertex are considered, and in the (π,N) case the equivalence of pseudoscalar and pseudovector πNN coupling is seen to follow directly from wave function orthogonality

  19. Descriptions of carbon isotopes within the energy density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Ismail, Atef [Fundamental and Applied Sciences Department, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia and Department of Physics, Al-Azhar University, 71524 Assiut (Egypt); Cheong, Lee Yen; Yahya, Noorhana [Fundamental and Applied Sciences Department, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Tammam, M. [Department of Physics, Al-Azhar University, 71524 Assiut (Egypt)

    2014-10-24

    Within the energy density functional (EDF) theory, the structure properties of Carbon isotopes are systematically studied. The shell model calculations are done for both even-A and odd-A nuclei, to study the structure of rich-neutron Carbon isotopes. The EDF theory indicates the single-neutron halo structures in {sup 15}C, {sup 17}C and {sup 19}C, and the two-neutron halo structures in {sup 16}C and {sup 22}C nuclei. It is also found that close to the neutron drip-line, there exist amazing increase in the neutron radii and decrease on the binding energies BE, which are tightly related with the blocking effect and correspondingly the blocking effect plays a significant role in the shell model configurations.

  20. Descriptions of carbon isotopes within the energy density functional theory

    International Nuclear Information System (INIS)

    Ismail, Atef; Cheong, Lee Yen; Yahya, Noorhana; Tammam, M.

    2014-01-01

    Within the energy density functional (EDF) theory, the structure properties of Carbon isotopes are systematically studied. The shell model calculations are done for both even-A and odd-A nuclei, to study the structure of rich-neutron Carbon isotopes. The EDF theory indicates the single-neutron halo structures in 15 C, 17 C and 19 C, and the two-neutron halo structures in 16 C and 22 C nuclei. It is also found that close to the neutron drip-line, there exist amazing increase in the neutron radii and decrease on the binding energies BE, which are tightly related with the blocking effect and correspondingly the blocking effect plays a significant role in the shell model configurations

  1. Non-empirical energy density functional for the nuclear structure

    International Nuclear Information System (INIS)

    Rot ival, V.

    2008-09-01

    The energy density functional (EDF) formalism is the tool of choice for large-scale low-energy nuclear structure calculations both for stable experimentally known nuclei whose properties are accurately reproduced and systems that are only theoretically predicted. We highlight in the present dissertation the capability of EDF methods to tackle exotic phenomena appearing at the very limits of stability, that is the formation of nuclear halos. We devise a new quantitative and model-independent method that characterizes the existence and properties of halos in medium- to heavy-mass nuclei, and quantifies the impact of pairing correlations and the choice of the energy functional on the formation of such systems. These results are found to be limited by the predictive power of currently-used EDFs that rely on fitting to known experimental data. In the second part of this dissertation, we initiate the construction of non-empirical EDFs that make use of the new paradigm for vacuum nucleon-nucleon interactions set by so-called low-momentum interactions generated through the application of renormalization group techniques. These soft-core vacuum potentials are used as a step-stone of a long-term strategy which connects modern many-body techniques and EDF methods. We provide guidelines for designing several non-empirical models that include in-medium many-body effects at various levels of approximation, and can be handled in state-of-the art nuclear structure codes. In the present work, the first step is initiated through the adjustment of an operator representation of low-momentum vacuum interactions using a custom-designed parallel evolutionary algorithm. The first results highlight the possibility to grasp most of the relevant physics for low-energy nuclear structure using this numerically convenient Gaussian vertex. (author)

  2. Rydberg energies using excited state density functional theory

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  3. Energy coupling function and solar wind-magnetosphere dynamo

    International Nuclear Information System (INIS)

    Kan, J.R.; Lee, L.C.

    1979-01-01

    The power delivered by the solar wind dynamo to the open magnetosphere is calculated based on the concept of field line reconnection, independent of the MHD steady reconnection theories. By recognizing a previously overlooked geometrical relationship between the reconnection electric field and the magnetic field, the calculated power is shown to be approximately proportional to the Akasofu-Perreault energy coupling function for the magnetospheric substorm. In addition to the polar cap potential, field line reconnection also gives rise to parallel electric fields on open field lines in the high-latitude cusp and the polar cap reions

  4. Relativistic Energy Density Functionals: Exotic modes of excitation

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  5. 100 group displacement cross sections from RECOIL data base

    International Nuclear Information System (INIS)

    Gopalakrishnan, V.

    1995-01-01

    Displacement cross sections in 100 neutron energy groups were calculated from the RECOIL data base using the RECOIL program, for use in DPA (Displacement Per Atom) calculations for FBTR and PFBR materials. 100 group displacement cross sections were calculated using RECOIL-Data Base and RECOIL Program. Modifications were made in the data base to reduce space requirement, and in the program for easy handling on a PC. 2 refs

  6. Strict calculation of electron energy distribution functions in inhomogeneous plasmas

    International Nuclear Information System (INIS)

    Winkler, R.

    1996-01-01

    It is objective of the paper to report on strict calculations of the velocity or energy distribution function function and related macroscopic properties of the electrons from appropriate electron kinetic equations under various plasma conditions and to contribute to a better understanding of the electron behaviour in inhomogeneous plasma regions. In particular, the spatial relaxation of plasma electrons acted upon by uniform electric fields, the response of plasma electrons on spatial disturbances of the electric field, the electron kinetics under the impact of space charge field confinement in the dc column plasma and the electron velocity distribution is stronger field as occurring in the electrode regions of a dc glow discharge is considered. (author)

  7. Building a universal nuclear energy density functional (UNEDF)

    Energy Technology Data Exchange (ETDEWEB)

    Nazarewicz, Witold [Univ. of Tennessee, Knoxville, TN (United States)

    2012-07-01

    The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold: First, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties. Second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data. Third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

  8. Structures and potential energy functions of Pu3 molecule

    International Nuclear Information System (INIS)

    Meng Daqiao; Jiang Gang; Liu Xiaoya; Luo Deli; Zhu Zhenghe

    2001-01-01

    Density functional (B3LYP) method with relativistic effective core potential (RECP) has been used to optimize the structures of Pu 2 and Pu 3 molecules. The results show that the ground states of Pu 2 and Pu 3 molecules are of D ∞h and D 3h symmetry, and of 13 and 19 fold, respectively. The spectral constants of Pu 2 , ω e = 52.3845 cm -1 and ω e x e = 0.0201 cm -1 , and the harmonic frequencies of Pu 3 , ν 1 = 56.9007 cm -1 , ν 2 = 57.1816 cm - '1 and ν 3 = 64.0785 cm -1 , have also been obtained on the B3LYP/RECP level. The potential energy functions of Pu 2 and Pu 3 have been derived, for the first time so far as known, from normal equation fitting and the many-body expansion theory

  9. Energy and enthalpy distribution functions for a few physical systems.

    Science.gov (United States)

    Wu, K L; Wei, J H; Lai, S K; Okabe, Y

    2007-08-02

    The present work is devoted to extracting the energy or enthalpy distribution function of a physical system from the moments of the distribution using the maximum entropy method. This distribution theory has the salient traits that it utilizes only the experimental thermodynamic data. The calculated distribution functions provide invaluable insight into the state or phase behavior of the physical systems under study. As concrete evidence, we demonstrate the elegance of the distribution theory by studying first a test case of a two-dimensional six-state Potts model for which simulation results are available for comparison, then the biphasic behavior of the binary alloy Na-K whose excess heat capacity, experimentally observed to fall in a narrow temperature range, has yet to be clarified theoretically, and finally, the thermally induced state behavior of a collection of 16 proteins.

  10. A 1,000 GtC Coal Question for Future Energy Scenarios: How Much Coal Will Renewables Need to Displace?

    Science.gov (United States)

    Ritchie, W. J.; Dowlatabadi, H.

    2016-12-01

    Twenty years ago, global coal assessments indicated reserve-to-production (R-P) ratios of more than 300 years. Consequently, most studies of energy futures established coal as a virtually unlimited backstop to meet the world's projected energy needs. Coal was modeled to offset oil and gas production declines and provide a source of energy which renewables and lower carbon supply strategies needed to outcompete. Over the past two decades, increasingly consistent methodologies have been applied globally to assess recoverable coal. Coal production has also witnessed significant mechanization to meet higher demand. Each of these has led to a significant reduction in estimates of economically recoverable coal reserves despite a doubling of market prices over this period. The current reserve to production ratio for coal is now around 100 years. It is time to reconsider coal as the inexhaustible energy backstop The energy models which develop long-term estimates of renewable energy needs and projections of greenhouse gas (GHG) emissions still adopt the characteristics of vintage coal assessments. By convention, baseline GHG emissions used by the IPCC and others, project combustion of most known coal reserves before the year 2100. When vintage assessments are used, this involves extraction of all currently known coal reserves plus twice again from resources invalidated as recoverable for geologic, environmental, social, legal, technical or economic reasons. We provide evidence for rejecting these projections of unbounded growth in coal consumption. Legacy pathways of implausibly high coal use upwardly bias long-term scenarios for total cumulative GHG emissions and subsequent research on climate change. This bias has precluded consideration of much more ambitious climate mitigation targets without significant socio-economic dislocation and unnecessarily diminishes possible future contributions from renewables.

  11. Density dependence of the nuclear energy-density functional

    Science.gov (United States)

    Papakonstantinou, Panagiota; Park, Tae-Sun; Lim, Yeunhwan; Hyun, Chang Ho

    2018-01-01

    Background: The explicit density dependence in the coupling coefficients entering the nonrelativistic nuclear energy-density functional (EDF) is understood to encode effects of three-nucleon forces and dynamical correlations. The necessity for the density-dependent coupling coefficients to assume the form of a preferably small fractional power of the density ρ is empirical and the power is often chosen arbitrarily. Consequently, precision-oriented parametrizations risk overfitting in the regime of saturation and extrapolations in dilute or dense matter may lose predictive power. Purpose: Beginning with the observation that the Fermi momentum kF, i.e., the cubic root of the density, is a key variable in the description of Fermi systems, we first wish to examine if a power hierarchy in a kF expansion can be inferred from the properties of homogeneous matter in a domain of densities, which is relevant for nuclear structure and neutron stars. For subsequent applications we want to determine a functional that is of good quality but not overtrained. Method: For the EDF, we fit systematically polynomial and other functions of ρ1 /3 to existing microscopic, variational calculations of the energy of symmetric and pure neutron matter (pseudodata) and analyze the behavior of the fits. We select a form and a set of parameters, which we found robust, and examine the parameters' naturalness and the quality of resulting extrapolations. Results: A statistical analysis confirms that low-order terms such as ρ1 /3 and ρ2 /3 are the most relevant ones in the nuclear EDF beyond lowest order. It also hints at a different power hierarchy for symmetric vs. pure neutron matter, supporting the need for more than one density-dependent term in nonrelativistic EDFs. The functional we propose easily accommodates known or adopted properties of nuclear matter near saturation. More importantly, upon extrapolation to dilute or asymmetric matter, it reproduces a range of existing microscopic

  12. Measurement of the nucleon structure function using high energy muons

    International Nuclear Information System (INIS)

    Meyers, P.D.

    1983-12-01

    We have measured the inclusive deep inelastic scattering of muons on nucleons in iron using beams of 93 and 215 GeV muons. To perform this measurement, we have built and operated the Multimuon Spectrometer (MMS) in the muon beam at Fermilab. The MMS is a magnetized iron target/spectrometer/calorimeter which provides 5.61 kg/cm 2 of target, 9% momentum resolution on scattered muons, and a direct measure of total hadronic energy with resolution sigma/sub nu/ = 1.4√nu(GeV). In the distributed target, the average beam energies at the interaction are 88.0 and 209 GeV. Using the known form of the radiatively-corrected electromagnetic cross section, we extract the structure function F 2 (x,Q 2 ) with a typical precision of 2% over the range 5 2 2 /c 2 . We compare our measurements to the predictions of lowest order quantum chromodynamics (QCD) and find a best fit value of the QCD scale parameter Λ/sub LO/ = 230 +- 40/sup stat/ +- 80/sup syst/ MeV/c, assuming R = 0 and without applying Fermi motion corrections. Comparing the cross sections at the two beam energies, we measure R = -0.06 +- 0.06/sup stat/ +- 0.11/sup syst/. Our measurements show qualitative agreement with QCD, but quantitative comparison is hampered by phenomenological uncertainties. The experimental situation is quite good, with substantial agreement between our measurements and those of others. 86 references

  13. Response function measurement of plastic scintillator for high energy neutrons

    International Nuclear Information System (INIS)

    Sanami, Toshiya; Ban, Syuichi; Takahashi, Kazutoshi; Takada, Masashi

    2003-01-01

    The response function and detection efficiency of 2''φ x 2''L plastic (PilotU) and NE213 liquid (2''NE213) scintillators, which were used for the measurement of secondary neutrons from high energy electron induced reactions, were measured at Heavy Ion Medical Accelerator in Chiba (HIMAC). High energy neutrons were produced via 400 MeV/n C beam bombardment on a thick graphite target. The detectors were placed at 15 deg with respect to C beam axis, 5 m away from the target. As standard, a 5''φ x 5''L NE213 liquid scintillator (5''NE213) was also placed at same position. Neutron energy was determined by the time-of-flight method with the beam pickup scintillator in front of the target. In front of the detectors, veto scintillators were placed to remove charged particle events. All detector signals were corrected with list mode event by event. We deduce neutron spectrum for each detectors. The efficiency curves for pilotU and 2''NE213 were determined on the bases of 5 N E213 neutron spectrum and its efficiency calculated by CECIL code. (author)

  14. E1 and M1 strength functions at low energy

    Science.gov (United States)

    Schwengner, Ronald; Massarczyk, Ralph; Bemmerer, Daniel; Beyer, Roland; Junghans, Arnd R.; Kögler, Toni; Rusev, Gencho; Tonchev, Anton P.; Tornow, Werner; Wagner, Andreas

    2017-09-01

    We report photon-scattering experiments using bremsstrahlung at the γELBE facility of Helmholtz-Zentrum Dresden-Rossendorf and using quasi-monoenergetic, polarized γ beams at the HIγS facility of the Triangle Universities Nuclear Laboratory in Durham. To deduce the photoabsorption cross sections at high excitation energy and high level density, unresolved strength in the quasicontinuum of nuclear states has been taken into account. In the analysis of the spectra measured by using bremsstrahlung at γELBE, we perform simulations of statistical γ-ray cascades using the code γDEX to estimate intensities of inelastic transitions to low-lying excited states. Simulated average branching ratios are compared with model-independent branching ratios obtained from spectra measured by using monoenergetic γ beams at HIγS. E1 strength in the energy region of the pygmy dipole resonance is discussed in nuclei around mass 90 and in xenon isotopes. M1 strength in the region of the spin-flip resonance is also considered for xenon isotopes. The dipole strength function of 74Ge deduced from γELBE experiments is compared with the one obtained from experiments at the Oslo Cyclotron Laboratory. The low-energy upbend seen in the Oslo data is interpreted as M1 strength on the basis of shell-model calculations.

  15. E1 and M1 strength functions at low energy

    Directory of Open Access Journals (Sweden)

    Schwengner Ronald

    2017-01-01

    Full Text Available We report photon-scattering experiments using bremsstrahlung at the γELBE facility of Helmholtz-Zentrum Dresden-Rossendorf and using quasi-monoenergetic, polarized γ beams at the HIγS facility of the Triangle Universities Nuclear Laboratory in Durham. To deduce the photoabsorption cross sections at high excitation energy and high level density, unresolved strength in the quasicontinuum of nuclear states has been taken into account. In the analysis of the spectra measured by using bremsstrahlung at γELBE, we perform simulations of statistical γ-ray cascades using the code γDEX to estimate intensities of inelastic transitions to low-lying excited states. Simulated average branching ratios are compared with model-independent branching ratios obtained from spectra measured by using monoenergetic γ beams at HIγS. E1 strength in the energy region of the pygmy dipole resonance is discussed in nuclei around mass 90 and in xenon isotopes. M1 strength in the region of the spin-flip resonance is also considered for xenon isotopes. The dipole strength function of 74Ge deduced from γELBE experiments is compared with the one obtained from experiments at the Oslo Cyclotron Laboratory. The low-energy upbend seen in the Oslo data is interpreted as M1 strength on the basis of shell-model calculations.

  16. Equivalence of displacement radiation damage in superluminescent diodes induced by protons and heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xingji, E-mail: lxj0218@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Liu, Chaoming [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Lan, Mujie; Xiao, Liyi [Center of Micro-electronics, Harbin Institute of Technology, Harbin 150001 (China); Liu, Jianchun; Ding, Dongfa [Beijing Aerospace Times Optical-electronic Technology Co.Ltd, Beijing 100854 (China); Yang, Dezhuang; He, Shiyu [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2013-07-11

    The degradation of optical power for superluminescent diodes is in situ measured under exposures of protons with various energies (170 keV, 3 MeV and 5 MeV), and 25 MeV carbon ions for several irradiation fluences. Experimental results show that the optical power of the SLDs decreases with increasing fluence. The protons with lower energies cause more degradation in the optical power of SLDs than those with higher energies at a given fluence. Compared to the proton irradiation with various energies, the 25 MeV carbon ions induce more severe degradation to the optical power. To characterize the radiation damage of the SLDs, the displacement doses as a function of chip depth in the SLDs are calculated by SRIM code for the protons and carbon ions. Based on the irradiation testing and calculation results, an approach is given to normalize the equivalence of displacement damage induced by various charged particles in SLDs.

  17. Engineering measures and risk assessment against fault displacement

    International Nuclear Information System (INIS)

    Narabayashi, Tadashi; Okamoto, Koji; Dodo, Takashi; Kamiya, Masanobu

    2017-01-01

    A special committee on 'assessment on fault activities and engineering risk' was established at the Japan Atomic Energy Society. With a participation of the Japan Society of Maintenology, a study group on nuclear safety regulations was established at the Japan Society of Maintenology, and this theme has been examined. Among the technics for evaluating the effects of fault displacement on nuclear facilities, the concept of application of the safety margin evaluation method is shown. By applying this method, it is possible to evaluate nuclear safety against fault displacement, and it is also possible to obtain risk information such as the conditions of facilities and safety functions (retention or loss) as well as the safety margin against core damage, including the event exceeding prediction. Thus, it is possible to verify the effectiveness of accident management and to make decisions for further countermeasures to reduce risk through using the obtained risk information. The countermeasures prepared for large scale damage can also be effectively utilized. It is necessary not only the fault displacement targeted in this paper, but also the results of risk assessment obtained by safety margin assessment etc. are reflected on the improvement of accident management at the site, education and training, and assumption of various events and desk training, and are linked to safety improvement. Efforts for encouraging these actions are also required. (A.O.)

  18. General displaced SU(1, 1) number states: Revisited

    Energy Technology Data Exchange (ETDEWEB)

    Dehghani, A., E-mail: alireza.dehghani@gmail.com, E-mail: a-dehghani@tabrizu.ac.ir [Physics Department, Payame Noor University, P.O. Box 19395-3697 Tehran (Iran, Islamic Republic of)

    2014-04-15

    The most general displaced number states, based on the bosonic and an irreducible representation of the Lie algebra symmetry of su(1, 1) and associated with the Calogero-Sutherland model are introduced. Here, we utilize the Barut-Girardello displacement operator instead of the Klauder-Perelomov counterpart, to construct new kind of the displaced number states which can be classified in nonlinear coherent states regime, too, with special nonlinearity functions. They depend on two parameters, and can be converted into the well-known Barut-Girardello coherent and number states, respectively, depending on which of the parameters equal to zero. A discussion of the statistical properties of these states is included. Significant are their squeezing properties and anti-bunching effects which can be raised by increasing the energy quantum number. Depending on the particular choice of the parameters of the above scenario, we are able to determine the status of compliance with flexible statistics. Major parts of the issue is spent on something that these states, in fact, should be considered as new kind of photon-added coherent states, too. Which can be reproduced through an iterated action of a creation operator on new nonlinear Barut-Girardello coherent states. Where the latter carry, also, outstanding statistical features.

  19. Harris functional and related methods for calculating total energies in density-functional theory

    International Nuclear Information System (INIS)

    Averill, F.W.; Painter, G.S.

    1990-01-01

    The simplified energy functional of Harris has given results of useful accuracy for systems well outside the limits of weakly interacting fragments for which the method was originally proposed. In the present study, we discuss the source of the frequent good agreement of the Harris energy with full Kohn-Sham self-consistent results. A procedure is described for extending the applicability of the scheme to more strongly interacting systems by going beyond the frozen-atom fragment approximation. A gradient-force expression is derived, based on the Harris functional, which accounts for errors in the fragment charge representation. Results are presented for some diatomic molecules, illustrating the points of this study

  20. Control rod displacement

    International Nuclear Information System (INIS)

    Nakazato, S.

    1987-01-01

    This patent describes a nuclear reactor including a core, cylindrical control rods, a single support means supporting the control rods from their upper ends in spaced apart positions and movable for displacing the control rods in their longitudinal direction between a first end position in which the control rods are fully inserted into the core and a second end position in which the control rods are retracted from the core, and guide means contacting discrete regions of the outer surface of each control rod at least when the control rods are in the vicinity of the second end position. The control rods are supported by the support means for longitudinal movement without rotation into and out of the core relative to the guide means to thereby cause the outer surface of the control rods to experience wear as a result of sliding contact with the guide means. The support means are so arranged with respect to the core and the guide means that it is incapable of rotation relative to the guide means. The improvement comprises displacement means being operatively coupled to a respective one of the control rods for periodically rotating the control rod in a single angular direction through an angle selected to change the locations on the outer surfaces of the control rods at which the control rods are contacted by the guide means during subsequent longitudinal movement of the control rods

  1. Building A Universal Nuclear Energy Density Functional (UNEDF)

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, Joe [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Furnstahl, Dick [The Ohio State Univ., Columbus, OH (United States); Horoi, Mihai [Central Michigan Univ., Mount Pleasant, MI (United States); Lusk, Rusty [Argonne National Lab. (ANL), Argonne, IL (United States); Nazarewicz, Witek [Univ. of Tennessee, Knoxville, TN (United States); Ng, Esmond [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Thompson, Ian [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vary, James [Iowa State Univ., Ames, IA (United States)

    2012-09-30

    During the period of Dec. 1 2006 - Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold: first, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties; second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data; third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory. The main physics areas of UNEDF, defined at the beginning of the project, were: ab initio structure; ab initio functionals; DFT applications; DFT extensions; reactions.

  2. An ion displacement membrame model.

    Science.gov (United States)

    Hladky, S B; Harris, J D

    1967-09-01

    The usual assumption in treating the diffusion of ions in an electric field has been that the movement of each ion is independent of the movement of the others. The resulting equation for diffusion by a succession of spontaneous jumps has been well stated by Parlin and Eyring. This paper will consider one simple case in which a different assumption is reasonable. Diffusion of monovalent positive ions is considered as a series of jumps from one fixed negative site to another. The sites are assumed to be full (electrical neutrality). Interaction occurs by the displacement of one ion by another. An ion leaves a site if and only if another ion, not necessarily of the same species, attempts to occupy the same site. Flux ratios and net fluxes are given as functions of the electrical potential, concentration ratios, and number of sites encountered in crossing the membrane. Quantitative comparisons with observations of Hodgkin and Keynes are presented.

  3. Electron energy distribution function control in gas discharge plasmas

    International Nuclear Information System (INIS)

    Godyak, V. A.

    2013-01-01

    The formation of the electron energy distribution function (EEDF) and electron temperature in low temperature gas discharge plasmas is analyzed in frames of local and non-local electron kinetics. It is shown, that contrary to the local case, typical for plasma in uniform electric field, there is the possibility for EEDF modification, at the condition of non-local electron kinetics in strongly non-uniform electric fields. Such conditions “naturally” occur in some self-organized steady state dc and rf discharge plasmas, and they suggest the variety of artificial methods for EEDF modification. EEDF modification and electron temperature control in non-equilibrium conditions occurring naturally and those stimulated by different kinds of plasma disturbances are illustrated with numerous experiments. The necessary conditions for EEDF modification in gas discharge plasmas are formulated

  4. Theoretical characterization of electron energy distribution function in RF plasmas

    International Nuclear Information System (INIS)

    Capitelli, M.; Capriati, G.; Dilonardo, M.; Gorse, C.; Longo, S.

    1993-01-01

    Different methods for the modeling of low-temperature plasmas of both technological and fundamental interest are discussed. The main concept of all these models is the electron energy distribution function (eedf) which is necessary to calculate the rate coefficients for any chemical reaction involving electrons. Results of eedf calculations in homogeneous SF 6 and SiH 4 plasmas are discussed based on solution of the time-dependent Boltzmann equation. The space-dependent eedf in an RF discharge in He is calculated taking into account the sheath oscillations by a Monte Carlo model assuming the plasma heating mechanism and the electric field determined by using a fluid model. The need to take into account the ambipolar diffusion of electrons in RF discharge modeling is stressed. A self-consistent model based on coupling the equations of the fluid model and the chemical kinetics ones is presented. (orig.)

  5. Measurement of the nucleon structure function using high energy muons

    Energy Technology Data Exchange (ETDEWEB)

    Meyers, P.D.

    1983-12-01

    We have measured the inclusive deep inelastic scattering of muons on nucleons in iron using beams of 93 and 215 GeV muons. To perform this measurement, we have built and operated the Multimuon Spectrometer (MMS) in the muon beam at Fermilab. The MMS is a magnetized iron target/spectrometer/calorimeter which provides 5.61 kg/cm/sup 2/ of target, 9% momentum resolution on scattered muons, and a direct measure of total hadronic energy with resolution sigma/sub nu/ = 1.4..sqrt..nu(GeV). In the distributed target, the average beam energies at the interaction are 88.0 and 209 GeV. Using the known form of the radiatively-corrected electromagnetic cross section, we extract the structure function F/sub 2/(x,Q/sup 2/) with a typical precision of 2% over the range 5 < Q/sup 2/ < 200 GeV/sup 2//c/sup 2/. We compare our measurements to the predictions of lowest order quantum chromodynamics (QCD) and find a best fit value of the QCD scale parameter ..lambda../sub LO/ = 230 +- 40/sup stat/ +- 80/sup syst/ MeV/c, assuming R = 0 and without applying Fermi motion corrections. Comparing the cross sections at the two beam energies, we measure R = -0.06 +- 0.06/sup stat/ +- 0.11/sup syst/. Our measurements show qualitative agreement with QCD, but quantitative comparison is hampered by phenomenological uncertainties. The experimental situation is quite good, with substantial agreement between our measurements and those of others. 86 references.

  6. Displaced Sense: Displacement, Religion and Sense-making

    OpenAIRE

    Naidu, Maheshvari

    2016-01-01

    Whether formally categorized as refugees or not, displaced migrants experience varying degrees of vulnerability in relation to where they find themselves displaced. The internally displaced furthermore squat invisibly and outside the boundaries of the legal framework and incentive structures accorded to those classified as 'refugee'. They are thus arguably, by and large, left to source sustaining solutions for themselves. This article works through the theoretical prism of sense-making theory...

  7. Displacing the Patient

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    as an affective care recipient, as a citizen with rights and as an individual need-oriented user on the one hand. On the other hand, the goal of patient satisfaction also deploys market perceptions of patients as homogeneous target groups to which information can be standardised. In the latter (market orientation......), the patient is also a resource for organizational development and a customer with consumer behavior. Overall, the strategy presents an information-pursuing patient figure making it possible to streamline the organization's care orientation on market conditions. In contrast to Annemarie Mol’s dichotomy of care......The analysis is based on an empirical study of a hospital’s communication strategy entitled: 'The Perspective of the Patient'. The paper asks how the strategy organizes communication work as situated displacements of the patient. Based on methodological elements from situational analysis (Clarke...

  8. Feature displacement interpolation

    DEFF Research Database (Denmark)

    Nielsen, Mads; Andresen, Per Rønsholt

    1998-01-01

    Given a sparse set of feature matches, we want to compute an interpolated dense displacement map. The application may be stereo disparity computation, flow computation, or non-rigid medical registration. Also estimation of missing image data, may be phrased in this framework. Since the features...... often are very sparse, the interpolation model becomes crucial. We show that a maximum likelihood estimation based on the covariance properties (Kriging) show properties more expedient than methods such as Gaussian interpolation or Tikhonov regularizations, also including scale......-selection. The computational complexities are identical. We apply the maximum likelihood interpolation to growth analysis of the mandibular bone. Here, the features used are the crest-lines of the object surface....

  9. Strategies for displacing oil

    Science.gov (United States)

    Rao, Vikram; Gupta, Raghubir

    2015-03-01

    Oil currently holds a monopoly on transportation fuels. Until recently biofuels were seen as the means to break this stranglehold. They will still have a part to play, but the lead role has been handed to natural gas, almost solely due to the increased availability of shale gas. The spread between oil and gas prices, unprecedented in its scale and duration, will cause a secular shift away from oil as a raw material. In the transport fuel sector, natural gas will gain traction first in the displacement of diesel fuel. Substantial innovation is occurring in the methods of producing liquid fuel from shale gas at the well site, in particular in the development of small scale distributed processes. In some cases, the financing of such small-scale plants may require new business models.

  10. [Management of disk displacement with condylar fracture].

    Science.gov (United States)

    Yu, Shi-bin; Li, Zu-bing; Yang, Xue-wen; Zhao, Ji-hong; Dong, Yao-jun

    2003-07-01

    To investigate clinical features of disk displacement during the course of condylar fracture and to explore the techniques of disk reposition and suturation. 32 patients (10 females and 22 males) who had disk displacements with condylar fractures were followed up. Reduction and reposition of the dislocated disks simultaneously with fixation of fractures were performed. 7 patients underwent intermaxillary fixation with elastic bands for 1 to 2 weeks. The occlusions were satisfactory in all cases but one for the reason of ramus height loss. No TMJ symptom was found when examined 3 months post operation. Anterior disk displacements were most occurred with high condylar process fractures. Surgical reposition and suturation of disk play an important role for the later TMJ-function.

  11. Quantification of the vocal folds’ dynamic displacements

    International Nuclear Information System (INIS)

    Hernández-Montes, María del Socorro; Muñoz, Silvino; De La Torre, Manuel; Flores, Mauricio; Pérez, Carlos; Mendoza-Santoyo, Fernando

    2016-01-01

    Fast dynamic data acquisition techniques are required to investigate the motional behavior of the vocal folds (VFs) when they are subjected to a steady air-flow through the trachea. High-speed digital holographic interferometry (DHI) is a non-invasive full-field-of-view technique that has proved its usefulness to study rapid and non-repetitive object movements. Hence it is an ideal technique used here to measure VF displacements and vibration patterns at 2000 fps. Analyses from a set of 200 displacement images showed that VFs’ vibration cycles are established along their width (y) and length (x). Furthermore, the maximum deformation for the right and left VFs’ area may be quantified from these images, which in itself represents an important result in the characterization of this structure. At a controlled air pressure, VF displacements fall within the range ∼100–1740 nm, with a calculated precision and accuracy that yields a variation coefficient of 1.91%. High-speed acquisition of full-field images of VFs and their displacement quantification are on their own significant data in the study of their functional and physiological behavior since voice quality and production depend on how they vibrate, i.e. their displacement amplitude and frequency. Additionally, the use of high speed DHI avoids prolonged examinations and represents a significant scientific and technological alternative contribution in advancing the knowledge and working mechanisms of these tissues. (paper)

  12. Quantification of the vocal folds’ dynamic displacements

    Science.gov (United States)

    del Socorro Hernández-Montes, María; Muñoz, Silvino; De La Torre, Manuel; Flores, Mauricio; Pérez, Carlos; Mendoza-Santoyo, Fernando

    2016-05-01

    Fast dynamic data acquisition techniques are required to investigate the motional behavior of the vocal folds (VFs) when they are subjected to a steady air-flow through the trachea. High-speed digital holographic interferometry (DHI) is a non-invasive full-field-of-view technique that has proved its usefulness to study rapid and non-repetitive object movements. Hence it is an ideal technique used here to measure VF displacements and vibration patterns at 2000 fps. Analyses from a set of 200 displacement images showed that VFs’ vibration cycles are established along their width (y) and length (x). Furthermore, the maximum deformation for the right and left VFs’ area may be quantified from these images, which in itself represents an important result in the characterization of this structure. At a controlled air pressure, VF displacements fall within the range ~100-1740 nm, with a calculated precision and accuracy that yields a variation coefficient of 1.91%. High-speed acquisition of full-field images of VFs and their displacement quantification are on their own significant data in the study of their functional and physiological behavior since voice quality and production depend on how they vibrate, i.e. their displacement amplitude and frequency. Additionally, the use of high speed DHI avoids prolonged examinations and represents a significant scientific and technological alternative contribution in advancing the knowledge and working mechanisms of these tissues.

  13. Displacement Parameter Inversion for a Novel Electromagnetic Underground Displacement Sensor

    Directory of Open Access Journals (Sweden)

    Nanying Shentu

    2014-05-01

    Full Text Available Underground displacement monitoring is an effective method to explore deep into rock and soil masses for execution of subsurface displacement measurements. It is not only an important means of geological hazards prediction and forecasting, but also a forefront, hot and sophisticated subject in current geological disaster monitoring. In previous research, the authors had designed a novel electromagnetic underground horizontal displacement sensor (called the H-type sensor by combining basic electromagnetic induction principles with modern sensing techniques and established a mutual voltage measurement theoretical model called the Equation-based Equivalent Loop Approach (EELA. Based on that work, this paper presents an underground displacement inversion approach named “EELA forward modeling-approximate inversion method”. Combining the EELA forward simulation approach with the approximate optimization inversion theory, it can deduce the underground horizontal displacement through parameter inversion of the H-type sensor. Comprehensive and comparative studies have been conducted between the experimentally measured and theoretically inversed values of horizontal displacement under counterpart conditions. The results show when the measured horizontal displacements are in the 0–100 mm range, the horizontal displacement inversion discrepancy is generally tested to be less than 3 mm under varied tilt angles and initial axial distances conditions, which indicates that our proposed parameter inversion method can predict underground horizontal displacement measurements effectively and robustly for the H-type sensor and the technique is applicable for practical geo-engineering applications.

  14. Measuring vulnerability to disaster displacement

    Science.gov (United States)

    Brink, Susan A.; Khazai, Bijan; Power, Christopher; Wenzel, Friedemann

    2015-04-01

    Large scale disasters can cause devastating impacts in terms of population displacement. Between 2008 and 2013, on average 27 million people were displaced annually by disasters (Yonetani 2014). After large events such as hurricane Katrina or the Port-au-Prince earthquake, images of inadequate public shelter and concerns about large scale and often inequitable migration have been broadcast around the world. Population displacement can often be one of the most devastating and visible impacts of a natural disaster. Despite the importance of population displacement in disaster events, measures to understand the socio-economic vulnerability of a community often use broad metrics to estimate the total socio-economic risk of an event rather than focusing on the specific impacts that a community faces in a disaster. Population displacement is complex and multi-causal with the physical impact of a disaster interacting with vulnerability arising from the response, environmental issues (e.g., weather), cultural concerns (e.g., expectations of adequate shelter), and many individual factors (e.g., mobility, risk perception). In addition to the complexity of the causes, population displacement is difficult to measure because of the wide variety of different terms and definitions and its multi-dimensional nature. When we speak of severe population displacement, we may refer to a large number of displaced people, an extended length of displacement or associated difficulties such as poor shelter quality, risk of violence and crime in shelter communities, discrimination in aid, a lack of access to employment or other difficulties that can be associated with large scale population displacement. We have completed a thorough review of the literature on disaster population displacement. Research has been conducted on historic events to understand the types of negative impacts associated with population displacement and also the vulnerability of different groups to these impacts. We

  15. Studies on functional polymer films utilizing low energy electron beam

    International Nuclear Information System (INIS)

    Ando, Masayuki

    1992-01-01

    Also in adhesives and tackifiers, with the expansion of the fields of application, the required characteristics have become high grade and complex. As one of them, the instantaneous hardening of adhesives can be taken up. In the field of lamination works, the low energy type electron beam accelerators having the linear filament of accelerating voltage below 300 kV were developed in 1970s, and the interest in the development of electron beam-handened adhesives has heightend. The authors have carried out research aiming at heightening the functions of the polymer films obtained by electron beam hardening reaction, and developed the adhesives. In this report, the features of electron beam hardening reaction, the structure and properties of electron beam-hardened polymer films and the molecular design of electron beam-hardened monomer oligomers are described. The feature of electron beam hardening reaction is the cross-linking of high degree as the structure of oligomers is maintained. By controlling the structure at the time of electron beam hardening, the heightening of the functions of electron beam-hardened polymer films is feasible. (K.I.)

  16. Remarks about the displaced spectra techniques

    International Nuclear Information System (INIS)

    Behringer, K.; Pineyro, J.

    1989-01-01

    In a recent paper a new method, called displaced spectra techniques, was presented for distinguishing between sinusoidal components and narrowband random noise contributions in otherwise random noise data. It is based on Fourier transform techniques, and uses the power spectral density (PSD) and a newly-introduced second-order displaced power spectra density (SDPSD) function. In order to distinguish between the two peak types, a validation criterion has been established. In this note, three topics are covered: a) improved numerical data for the validation criterion are given by using the refined estimation procedure of the PSD and SDPSD functions by the Welch method; b) the validation criterion requires the subtraction of the background below the peaks. A semiautomatic procedure is described; c) it was observed that peaks in the real part of the SDPSD function can be accompanied by fine structure phenomena which are unresolved in the PSD function. A few remarks are made about this problem. (author)

  17. Dimensional oscillation. A fast variation of energy embedding gives good results with the AMBER potential energy function.

    Science.gov (United States)

    Snow, M E; Crippen, G M

    1991-08-01

    The structure of the AMBER potential energy surface of the cyclic tetrapeptide cyclotetrasarcosyl is analyzed as a function of the dimensionality of coordinate space. It is found that the number of local energy minima decreases as the dimensionality of the space increases until some limit at which point equipotential subspaces appear. The applicability of energy embedding methods to finding global energy minima in this type of energy-conformation space is explored. Dimensional oscillation, a computationally fast variant of energy embedding is introduced and found to sample conformation space widely and to do a good job of finding global and near-global energy minima.

  18. Topology synthesis of large-displacement compliant mechanisms

    DEFF Research Database (Denmark)

    Pedersen, Claus B. Wittendorf; Buhl, Thomas; Sigmund, Ole

    2001-01-01

    This paper describes the use of topology optimization as a synthesis tool for the design of large-displacement compliant mechanisms. An objective function for the synthesis of large-displacement mechanisms is proposed together with a formulation for synthesis of path-generating compliant mechanisms...

  19. Hyoid Displacement in Post-Treatment Cancer Patients: Preliminary Findings

    Science.gov (United States)

    Zu, Yihe; Yang, Zhenyu; Perlman, Adrienne L.

    2011-01-01

    Purpose: Dysphagia after head and neck cancer treatment is a health care issue; in some cases, the cause of death is not cancer but, rather, the passage of food or liquid into the lungs. Hyoid displacement is known to be important to safe swallowing function. The purpose of this study was to evaluate hyoid displacement after cancer treatment.…

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

    International Nuclear Information System (INIS)

    Sone, Kazuho; Shiraishi, Kensuke

    1975-04-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Sone, K; Shiraishi, K

    1975-04-01

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

  2. MRI of displaced meniscal fragments

    International Nuclear Information System (INIS)

    Dunoski, Brian; Zbojniewicz, Andrew M.; Laor, Tal

    2012-01-01

    A torn meniscus frequently requires surgical fixation or debridement as definitive treatment. Meniscal tears with associated fragment displacement, such as bucket handle and flap tears, can be difficult to recognize and accurately describe on MRI, and displaced fragments can be challenging to identify at surgery. A displaced meniscal fragment can be obscured by synovium or be in a location not usually evaluated at arthroscopy. We present a pictorial essay of meniscal tears with displaced fragments in patients referred to a pediatric hospital in order to increase recognition and accurate interpretation by the radiologist, who in turn can help assist the surgeon in planning appropriate therapy. (orig.)

  3. MRI of displaced meniscal fragments

    Energy Technology Data Exchange (ETDEWEB)

    Dunoski, Brian [University of Cincinnati College of Medicine, Department of Radiology, Cincinnati Children' s Hospital Medical Center, Cincinnati, OH (United States); Children' s Hospital of Michigan, Department of Radiology, Detroit, MI (United States); Zbojniewicz, Andrew M.; Laor, Tal [University of Cincinnati College of Medicine, Department of Radiology, Cincinnati Children' s Hospital Medical Center, Cincinnati, OH (United States)

    2012-01-15

    A torn meniscus frequently requires surgical fixation or debridement as definitive treatment. Meniscal tears with associated fragment displacement, such as bucket handle and flap tears, can be difficult to recognize and accurately describe on MRI, and displaced fragments can be challenging to identify at surgery. A displaced meniscal fragment can be obscured by synovium or be in a location not usually evaluated at arthroscopy. We present a pictorial essay of meniscal tears with displaced fragments in patients referred to a pediatric hospital in order to increase recognition and accurate interpretation by the radiologist, who in turn can help assist the surgeon in planning appropriate therapy. (orig.)

  4. Determination of the displacement cross-section in C-60 fullerene exposed to the gamma rays

    International Nuclear Information System (INIS)

    Leyva, A.; Pinnera, I.; Leyva, D.; Cruz, C.; Abreu, Y.

    2011-01-01

    Using the threshold energy values reported in literature for spherical fullerene C-60 molecules and taking into account the McKinley-Feshbach approach, the effective atomic displacement cross-section in C-60 nanostructures exposed to the gamma rays was estimated. The Kinchin-Pease approximation for the damage function was also considered. These calculations were performed using MCCM code system developed by the authors for the study of gamma radiation damage in solid materials. (Author)

  5. Physics as a function of energy and luminosity

    International Nuclear Information System (INIS)

    Ellis, J.

    1984-01-01

    In this paper, a new physics in the range of mass up to TeV region is discussed. Most of the discussion concern hadron-hadron (hh) colliders, and also electron-positron colliders are discussed. The cross-sections for new particle production in hh colliders have the general Drell-Yan form, in which the differential luminosity for the collision of partons is included. The formulas with the parton distribution scaled up from present energy using the Altarelli-Parisi equations may be approximately correct within a factor of 2 for the production of particles. Some typical parton-parton luminosity functions for proton-proton and proton-antiproton collisions are presented. From the consideration of luminosity, it can be said that the pp colliders are to be preferred. The case studies of some of the possible new physics discussed by Zakharov, mainly on Higgs bosons and supersymmetric particles, but also a few remarks about technicolor are presented. It seems possible to detect technicolor at a large hh collider. The physics reaches of different possible hh colliders are summarized in tables. In the tables, the observable production of Higgses up to 1 TeV in mass, the observable masses for gluinos (squarks) and the technicolor observability are shown. The cleanliness of electron-positron colliders compared to hadron-hadron colliders is pled, a guess is given as to the appropriate conversion factors between the energy in the electron-positron and hh collisions, the complementarity of electron-positron and hh colliders is urged, and it is argued that a rational mix of world accelerators would include both. (Kato, T.)

  6. Croatian Energy Policy as Function of Regional Development and Employment

    International Nuclear Information System (INIS)

    Potocnik, V.

    2006-01-01

    The Republic of Croatia has modest proven fossil fuels (oil and gas) reserves and relatively abundant renewable energy potential (wind, solar, biomass, geothermal, hydro), distributed mainly in less developed regions of Croatia. The Croatian energy system is excessively dependent on expensive oil and natural gas (80% of primary energy), compared to the European Union (61%), and the world average (58%). Approximately 60% of total energy is imported, which considerably contributes to the country's very high foreign trade deficit and foreign debt. Putting into focus of the Croatian energy policy the improvement of energy efficiency and implementation of renewable energies would significantly increase opportunities for mitigating rather wide regional development disparities and high unemployment rates, at the same time reducing energy import, foreign trade deficit and foreign debt, and contributing to energy security as a part of the national security.(author)

  7. Bistability and displacement fluctuations in a quantum nanomechanical oscillator

    Science.gov (United States)

    Avriller, R.; Murr, B.; Pistolesi, F.

    2018-04-01

    Remarkable features have been predicted for the mechanical fluctuations at the bistability transition of a classical oscillator coupled capacitively to a quantum dot [Micchi et al., Phys. Rev. Lett. 115, 206802 (2015), 10.1103/PhysRevLett.115.206802]. These results have been obtained in the regime ℏ ω0≪kBT ≪ℏ Γ , where ω0, T , and Γ are the mechanical resonating frequency, the temperature, and the tunneling rate, respectively. A similar behavior could be expected in the quantum regime of ℏ Γ ≪kBT ≪ℏ ω0 . We thus calculate the energy- and displacement-fluctuation spectra and study their behavior as a function of the electromechanical coupling constant when the system enters the Frank-Condon regime. We find that in analogy with the classical case, the energy-fluctuation spectrum and the displacement spectrum widths show a maximum for values of the coupling constant at which a mechanical bistability is established.

  8. Radiation damage by high-energy electrons in GaAs: DLTS investigation

    International Nuclear Information System (INIS)

    Lehmann, B.

    1991-10-01

    An isothermal variation of the DLTS technique is developed and applied to the study of displacement damage in GaAs, through the determination of threshold energies and displacement cross sections. Its results correspond to those of an LED based method. A pronounced anisotropy is found for the threshold energy. A linearly increasing displacement probability function is shown to properly model the displacement cross section in direction, as compared with the direction which requires only a single step function. Differences in the damage between these two directions are as large as a factor of two. (orig.) [de

  9. Distortion of magnetic field lines caused by radial displacements of ITER toroidal field coils

    Energy Technology Data Exchange (ETDEWEB)

    Amoskov, V.M., E-mail: sytch@niiefa.spb.su [D.V. Efremov Scientific Research Institute of Electrophysical Apparatus, St. Petersburg (Russian Federation); Gribov, Y.V. [ITER Organization, Route de Vinon-sur-Verdon, CS 90 046, 13067 St Paul Lez Durance Cedex (France); Lamzin, E.A.; Sytchevsky, S.E. [D.V. Efremov Scientific Research Institute of Electrophysical Apparatus, St. Petersburg (Russian Federation)

    2017-05-15

    An assessment of distortions of ideal (circle) field lines caused by random radial displacements of the TF coils by |∆R| ≤ 5 mm has been performed from the statistical analysis assuming a uniform probability density function for displacements.

  10. Changes in cotton gin energy consumption apportioned by ten functions

    Science.gov (United States)

    The public is concerned about air quality and sustainability. Cotton producers, gin owners and plant managers are concerned about rising energy prices. Both have an interest in cotton gin energy consumption trends. Changes in cotton gins’ energy consumption over the past fifty years, a period of ...

  11. Association between Energy Availability and Menstrual Function in ...

    African Journals Online (AJOL)

    Energy intake (EI) minus exercise energy expenditure (EEE) normalized to fat free mass (FFM) determined EA. EI was determined through weight of all food and liquid consumed over three consecutive days. EEE was determined after isolating and deducting energy expended in exercise or physical activity above lifestyle ...

  12. Recycling Energy to Restore Impaired Ankle Function during Human Walking

    NARCIS (Netherlands)

    Collins, S.H.; Kuo, A.D.

    2010-01-01

    Background: Humans normally dissipate significant energy during walking, largely at the transitions between steps. The ankle then acts to restore energy during push-off, which may be the reason that ankle impairment nearly always leads to poorer walking economy. The replacement of lost energy is

  13. Recycling energy to restore impaired ankle function during human walking.

    Directory of Open Access Journals (Sweden)

    Steven H Collins

    Full Text Available BACKGROUND: Humans normally dissipate significant energy during walking, largely at the transitions between steps. The ankle then acts to restore energy during push-off, which may be the reason that ankle impairment nearly always leads to poorer walking economy. The replacement of lost energy is necessary for steady gait, in which mechanical energy is constant on average, external dissipation is negligible, and no net work is performed over a stride. However, dissipation and replacement by muscles might not be necessary if energy were instead captured and reused by an assistive device. METHODOLOGY/PRINCIPAL FINDINGS: We developed a microprocessor-controlled artificial foot that captures some of the energy that is normally dissipated by the leg and "recycles" it as positive ankle work. In tests on subjects walking with an artificially-impaired ankle, a conventional prosthesis reduced ankle push-off work and increased net metabolic energy expenditure by 23% compared to normal walking. Energy recycling restored ankle push-off to normal and reduced the net metabolic energy penalty to 14%. CONCLUSIONS/SIGNIFICANCE: These results suggest that reduced ankle push-off contributes to the increased metabolic energy expenditure accompanying ankle impairments, and demonstrate that energy recycling can be used to reduce such cost.

  14. Symmetry Energy as a Function of Density and Mass

    International Nuclear Information System (INIS)

    Danielewicz, Pawel; Lee, Jenny

    2007-01-01

    Energy in nuclear matter is, in practice, completely characterized at different densities and asymmetries, when the density dependencies of symmetry energy and of energy of symmetric matter are specified. The density dependence of the symmetry energy at subnormal densities produces mass dependence of nuclear symmetry coefficient and, thus, can be constrained by that latter dependence. We deduce values of the mass dependent symmetry coefficients, by using excitation energies to isobaric analog states. The coefficient systematic, for intermediate and high masses, is well described in terms of the symmetry coefficient values of a a V = (31.5-33.5) MeV for the volume coefficient and a a S = (9-12) MeV for the surface coefficient. These two further correspond to the parameter values describing density dependence of symmetry energy, of L∼95 MeV and K sym ∼25 MeV

  15. Local functional derivative of the total energy and the shell structure in atoms and molecules

    NARCIS (Netherlands)

    Pino, R.; Markvoort, Albert. J.; Santen, van R.A.; Hilbers, P.A.J.

    2003-01-01

    The full and local Thomas–Fermi–Dirac energy functional derivatives are evaluated at Hartree–Fock densities for several atoms and molecules. These functions are interpreted as local chemical potentials and related mainly to kinetic energy functional derivatives. They are able to reveal the shell

  16. Atomic displacements due to interstitial hydrogen in Cu and Pd

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... Atomic displacements; density functional theory; Kanzaki method. ... pseudopotentials for H, Cu and Pd are generated self-consistently. ... Both Cu and Pd lattices show lattice expansion due to the presence of hydrogen and ...

  17. HTR-10GT AMBs displacement sensor design

    International Nuclear Information System (INIS)

    Shi Zhengang; Zha Meisheng; Zhao Lei; Sun Zhuo

    2005-01-01

    The 10 MW high temperature gas-cooled test module reactor (HTR-10GT) with the core made of spherical fuel elements was designed and constructed by the Institute of Nuclear and New Energy Technology of Tsinghua University in China. In the HTR-10GT, turbo-compressor and generator rotors are connected by a flexible coupling. The rotors, restricted by actual instruments and working environment, must be supported without any contact and lubrication. Active magnetic bearing (AMB), known as its advantages over the conventional bearings., such as contact-free, no-lubricating and active damping vibration, is the best way to suspend and stabilize the position of rotors of HTR-10GT. Each rotor is suspended by two radial and one axial AMBs. The radial AMB's radial gap is 0.15 mm considering the gap of 0.4 mm between the compressor stator and blades in order to protect the compressor. The control system controls the rotor position to meet the required gaps between rotor and stator through windings current. All the position information concerning radial and axial AMB is generated by sensors for measuring the displacement of the levitated body. Some typical sensors, i.e. eddy current displacement sensor, capacitive displacement sensor, can provide position information, but, quite often, unsatisfactory anti-jamming, which is a key issue for AMB systems near generator and other electric devices in HTR-10GT. Therefore, a kind of new type sensor is designed to measure the radial and axial displacements and the vibration of the rotors. This paper focuses on the design characteristics of the HTR-10GT AMBs displacement sensors and introduction of the related experiments to demonstrate its performance. (authors)

  18. Neutron displacement damage cross sections for SiC

    International Nuclear Information System (INIS)

    Huang Hanchen; Ghoniem, N.

    1993-01-01

    Calculations of neutron displacement damage cross sections for SiC are presented. We use Biersack and Haggmark's empirical formula in constructing the electronic stopping power, which combines Lindhard's model at low PKA energies and Bethe-Bloch's model at high PKA energies. The electronic stopping power for polyatomic materials is computed on the basis of Bragg's Additivity Rule. A continuous form of the inverse power law potential is used for nuclear scattering. Coupled integro-differential equations for the number of displaced atoms j, caused by PKA i, are then derived. The procedure outlined above gives partial displacement cross sections, displacement cross sections for each specie of the lattice, and for each PKA type. The corresponding damage rates for several fusion and fission neutron spectra are calculated. The stoichiometry of the irradiated material is investigated by finding the ratio of displacements among various atomic species. The role of each specie in displacing atoms is also investigated by calculating the fraction of displacements caused by each PKA type. The study shows that neutron displacement damage rates of SiC in typical magnetic fusion reactor first walls will be ∝10-15 dpa MW -1 m 2 ; in typical lead-protected inertial confinement fusion reactor first walls they will be ∝15-20 dpa MW -1 m 2 . For fission spectra, we find that the neutron displacement damage rate of SiC is ∝74 dpa per 10 27 n/m 2 in FFTF, ∝39 dpa per 10 27 n/m 2 in HFIR, and 25 dpa per 10 27 n/m 2 in NRU. Approximately 80% of displacement atoms are shown to be of the carbon-type. (orig.)

  19. Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au

    KAUST Repository

    Boll, Torben; Zhu, Zhiyong; Al-Kassab, Talaat; Schwingenschlö gl, Udo

    2012-01-01

    In this article the Cu-Au binding energy in Cu3Au is determined by comparing experimental atom probe tomography (APT) results to simulations. The resulting bonding energy is supported by density functional theory calculations. The APT simulations

  20. Functional Modeling of Perspectives on the Example of Electric Energy Systems

    DEFF Research Database (Denmark)

    Heussen, Kai

    2009-01-01

    The integration of energy systems is a proven approach to gain higher overall energy efficiency. Invariably, this integration will come with increasing technical complexity through the diversification of energy resources and their functionality. With the integration of more fluctuating renewable ...... which enables a reflection on system integration requirements independent of particular technologies. The results are illustrated on examples related to electric energy systems.......The integration of energy systems is a proven approach to gain higher overall energy efficiency. Invariably, this integration will come with increasing technical complexity through the diversification of energy resources and their functionality. With the integration of more fluctuating renewable...... energies higher system flexibility will also be necessary. One of the challenges ahead is the design of control architecture to enable the flexibility and to handle the diversity. This paper presents an approach to model heterogeneous energy systems and their control on the basis of purpose and functions...

  1. Boron isotopic enrichment by displacement chromatography

    International Nuclear Information System (INIS)

    Mohapatra, K.K.; Bose, Arun

    2014-01-01

    10 B enriched boron is used in applications requiring high volumetric neutron absorption (absorption cross section- 3837 barn for thermal and 1 barn for 1 MeV fast neutron). It is used in fast breeder reactor (as control rod material), in neutron counter, in Boron Neutron Capture Therapy etc. Owing to very small separation factor, boron isotopic enrichment is a complex process requiring large number of separation stages. Heavy Water Board has ventured in industrial scale production of 10 B enriched boron using Exchange Distillation Process as well as Ion Displacement Chromatography Process. Ion Displacement Chromatography process is used in Boron Enrichment Plant at HWP, Manuguru. It is based on isotopic exchange between borate ions (B(OH) 4 - ) on anion exchange resin and boric acid passing through resin. The isotopic exchange takes place due to difference in zero point energy of 10 B and 11 B

  2. Analysis Of Functional Stability Of The Triphased Asynchronous Generator Used In Conversion Systems Of A Eolian Energy Into Electric Energy

    Directory of Open Access Journals (Sweden)

    Ion VONCILA

    2003-12-01

    Full Text Available This paper presents a study of the influence of the main perturbation agent over the functional stability of the triphased asynchronous generator (for the two alternative: with coiled and short circuit rotor, used for the conversion systems from a eolian energy into electric energy.

  3. Displacement sensing system and method

    Science.gov (United States)

    VunKannon, Jr., Robert S

    2006-08-08

    A displacement sensing system and method addresses demanding requirements for high precision sensing of displacement of a shaft, for use typically in a linear electro-dynamic machine, having low failure rates over multi-year unattended operation in hostile environments. Applications include outer space travel by spacecraft having high-temperature, sealed environments without opportunity for servicing over many years of operation. The displacement sensing system uses a three coil sensor configuration, including a reference and sense coils, to provide a pair of ratio-metric signals, which are inputted into a synchronous comparison circuit, which is synchronously processed for a resultant displacement determination. The pair of ratio-metric signals are similarly affected by environmental conditions so that the comparison circuit is able to subtract or nullify environmental conditions that would otherwise cause changes in accuracy to occur.

  4. Radiation displacement damage estimates for a radionuclide waste stabilization material

    International Nuclear Information System (INIS)

    Dolan, K.W.

    1977-01-01

    Estimates of the number of atomic displacements produced in pollucite by the radioactive decay of Cs-134 are made. Pollucite is a candidate material for radionuclide waste stabilization, while Cs-134 is one of the radionuclide products which would be chemically bound in the pollucite lattice. At the maximum concentration of Cs-134 in pollucite, assuming a threshold displacement energy of 15.0 eV, the displacement rate is estimated to be 4.3 x 10 12 atoms/cm 3 /second which includes all atomic species in the pollucite lattice. It was found that most of the displacements, 85 percent, were caused by elastic scattering of photoelectrons and Compton electrons which are products of γ-ray interactions in the material. Most of the remaining displacements are caused by elastic scattering of β-particles. Recoil energies of the Ba daughter product are insufficient to cause displacement. Atomic displacements of nearest neighbors, atoms within one lattice spacing of the decay site, are estimated to be 2.7 x 10 6 atoms/cm 3 /second. These estimates provide a starting point for assessing the long term stability of pollucite to radiation damage

  5. The energy rebound effects across China’s industrial sectors: An output distance function approach

    International Nuclear Information System (INIS)

    Li, Ke; Zhang, Ning; Liu, Yanchu

    2016-01-01

    Highlights: • Output distance function for the energy rebound effect is developed. • The aggregate energy rebound effect of China is 88.42%. • Investment-driven economic growth is not conducive to energy-saving. - Abstract: Improving energy efficiency sustainability is a target of the Chinese government. However, the effectiveness of energy conservation policy is affected by the energy rebound effect under which energy efficiency improvement reduces the effective price of energy services, thereby completely or partially offsetting the energy saved by efficiency improvement. Based on the output distance function, this paper develops an improved estimation model of the energy rebound effect, which is logically consistent with the quantities of energy savings and energy rebounds induced by technological progress. Results show that the aggregate energy rebound effect of 36 industrial sectors in China over 1998–2011 is 88.42%, which implies that most of the expected energy savings are mitigated. Investment-driven economic growth is not conducive to energy-saving and results in a strong energy rebound effect in the following year. The equipment and high-end manufacturing sectors have low levels of rebound effect, indicating that increasing the proportion of such firms in the total manufacturing sector can improve the performance of energy conservation. The high level and heterogeneity in rebound effects strongly suggest that varies strategies are necessary for energy conservation among China’s industrial sectors.

  6. The promotion and control functions of atomic energy law

    International Nuclear Information System (INIS)

    Roser, T.

    1998-01-01

    The question about the purpose of atomic energy law may sound superfluous in Germany, a country where a highly differential legal framework for the peaceful utilization of nuclear power has existed for nearly 40 years in the Basic Law, the Atomic Energy Act, and its ordinances, and a comprehensive body of case laws. Yet, it is justified in view of the declared intention of the German federal government to establish an environmental code into which atomic energy law, hitherto an independent branch of the law, would be integrated, and it is justified also in view of persistent complaints that the present rules and regulations stifled investment activities. A look into some codes of law may help answer the question. Already in 1959, the authors of the Atomic Energy Act outlined the purposes of the legislation in relatively clear terms in Section 1. Besides the two foreign policy aspects of security and loyalty under treaties, which do not concern us in this connection, the key purposes of atomic energy law are stated there as promotion and protection. The protection purpose, which implies the need to protect life, health, and property from the hazards of nuclear energy and harmful effects of ionizing radiation, ranks second in the Act. In accordance with the ruling in 1972 of the Federal Administrative Court, however, it should rank at the top. (orig.) [de

  7. Simulation of short-term annealing of displacement cascades in FCC metals

    International Nuclear Information System (INIS)

    Heinisch, H.L.; Doran, D.G.; Schwartz, D.M.

    1980-01-01

    Computer models have been developed for the simulation of high energy displacement cascades. The objective is the generation of defect production functions for use in correlation analysis of radiation effects in fusion reactor materials. In particular, the stochastic cascade annealing simulation code SCAS has been developed and used to model the short-term annealing behavior of simulated cascades in FCC metals. The code is fast enough to make annealing of high energy cascades practical. Sets of cascades from 5 keV to 100 keV in copper were generated by the binary collision code MARLOWE

  8. Irradiation damage 'displacement zone'; Dommages sous irradiation zone de deplacements

    Energy Technology Data Exchange (ETDEWEB)

    Genthon, J P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    It is well known that a charged particle (ion, primary atom, etc...) moving in a solid slows down and can cause a cascade of displacements of the atoms in the solid. A study is made here of the extent to which the cascade is made up, or not, of independent collisions, as a function of the energy of the initial charged particle. When the distance between the collisions is small, these latter are no longer independent; the cascade, which then has to be considered as a whole, perturbs and locates, in the irradiated solid , a zone which has been named a 'displacement zone'. It is shown that the proportion of displacement zones increases with increasing atom size (high atomic number Z), with decreasing atomic distance D in the substance considered and with decreasing energy of the ion undergoing the slowing down process (although always remaining above a few hundred eV). The proportions obtained are higher than those corresponding to the calculations of J. A. Brinkman [3]. An interatomic potential required for this work has also been determined. (author) [French] On sait qu'une particule chargee (ions, atomes primaires, etc...) en mouvement dans un solide se ralentit, avec eventuellement deplacement en cascade d'atomes du solide. On etudie ici dans quelle proportion, en fonction de l'energie de la particule chargee initiale, la cascade est constituee, ou non, de 'chocs independants'. Lorsque la distance entre chocs est petite, ceux-ci ne sont plus independants; la cascade, qui doit alors etre consideree dans son ensemble, perturbe et definit dans le solide irradie, une zone qu'on a appele zone de deplacements. On montre que la proportion de zones de deplacements est d'autant plus grande que les atomes sont gros (nombre atomique Z grand), que la distance interatomique D est petite dans le corps considere, et que l'energie de l'ion en ralentissement est petite (tout en restant superieure a quelques centaines d'eV). Les proportions obtenues sont superieures a celles qui

  9. A scenario analysis of future energy systems based on an energy flow model represented as functionals of technology options

    International Nuclear Information System (INIS)

    Kikuchi, Yasunori; Kimura, Seiichiro; Okamoto, Yoshitaka; Koyama, Michihisa

    2014-01-01

    Highlights: • Energy flow model was represented as the functionals of technology options. • Relationships among available technologies can be visualized by developed model. • Technology roadmapping can be incorporated into the model as technical scenario. • Combination of technologies can increase their contribution to the environment. - Abstract: The design of energy systems has become an issue all over the world. A single optimal system cannot be suggested because the availability of infrastructure and resources and the acceptability of the system should be discussed locally, involving all related stakeholders in the energy system. In particular, researchers and engineers of technologies related to energy systems should be able to perform the forecasting and roadmapping of future energy systems and indicate quantitative results of scenario analyses. We report an energy flow model developed for analysing scenarios of future Japanese energy systems implementing a variety of feasible technology options. The model was modularized and represented as functionals of appropriate technology options, which enables the aggregation and disaggregation of energy systems by defining functionals for single technologies, packages integrating multi-technologies, and mini-systems such as regions implementing industrial symbiosis. Based on the model, the combinations of technologies on both energy supply and demand sides can be addressed considering not only the societal scenarios such as resource prices, economic growth and population change but also the technical scenarios including the development and penetration of energy-related technologies such as distributed solid oxide fuel cells in residential sectors and new-generation vehicles, and the replacement and shift of current technologies such as heat pumps for air conditioning and centralized power generation. The developed model consists of two main modules; namely, a power generation dispatching module for the

  10. A comparison of dual-energy X-ray absorptiometry, air displacement plethysmography and A-mode ultrasound to assess body composition in college-age adults.

    Science.gov (United States)

    Johnson, Kelly E; Miller, Brian; Gibson, Ann L; McLain, Trisha A; Juvancic-Heltzel, Judith A; Kappler, Rachele M; Otterstetter, Ronald

    2017-11-01

    There is currently a dearth of scientific literature exploring the agreement of A-mode ultrasound (US) body composition analysis with dual-energy X-ray absorptiometry (DXA) and air displacement plethysmography (ADP). To investigate the agreement of US with DXA and ADP for estimating fat mass (FM) and fat-free mass (FFM). College-age men (n = 33) and women (n = 41) volunteered to participate in this study. Participants were instructed to adhere to the following pretest protocol: refrain from food and drink 12 h prior to testing and wear tight fitting clothing. Body composition (BCA) was assessed using US, DXA and ADP in accordance with the respective manufacturer's guidelines. Two-way mixed-model AVOVA and Bland and Altman techniques were applied to explore agreement for FM and FFM among the three methods: US, ADP and DXA and by sex. There was no statistically significant effect by sex for either FM or FFM across all BCA comparisons (P = 0·504 and 0·510, respectively). US was not statistically different from ADP for FM and FFM (P ≈ 1·00). However, for FM and FFM, there were significant differences between DXA and both US and ADP (P≤0·001). The Bland and Altman analyses revealed large individual differences for all BCA. There was statistical agreement between US and ADP for FM and FFM but lack of agreement for US and ADP when compared to DXA. However, the large limits of agreement between methods warrant caution in generalizing these findings. © 2016 Scandinavian Society of Clinical Physiology and Nuclear Medicine. Published by John Wiley & Sons Ltd.

  11. A study of the displacement of a Wankel rotary engine

    Science.gov (United States)

    Beard, J. E.; Pennock, G. R.

    1993-03-01

    The volumetric displacement of a Wankel rotary engine is a function of the trochoid ratio and the pin size ratio, assuming the engine has a unit depth and the number of lobes is specified. The mathematical expression which defines the displacement contains a function which can be evaluated directly and a normal elliptic integral of the second type which does not have an explicit solution. This paper focuses on the contribution of the elliptic integral to the total displacement of the engine. The influence of the elliptic integral is shown to account for as much as 20 percent of the total displacement, depending on the trochoid ratio and the pin size ratio. Two numerical integration techniques are compared in the paper, namely, the trapezoidal rule and Simpson's 1/3 rule. The bounds on the error, associated with each numerical method, are analyzed. The results indicate that the numerical method has a minimal effect on the accuracy of the calculated displacement for a practical number of integration steps. The paper also evaluates the influence of manufacturing tolerances on the calculated displacement and the actual displacement. Finally. a numerical example of the common three-lobed Wankel rotary engine is included for illustrative purposes.

  12. Department of Energy Emergency Management Functional Requirements Study

    International Nuclear Information System (INIS)

    1987-05-01

    This Study, the Emergency Management Functional Requirements Study (EMFRS), identifies the physical environment, information resources, and equipment required in the DOE Headquarters Emergency Operations Center (EOC) to support the DOE staff in managing an emergency. It is the first step toward converting the present Forrestal EOC into a practical facility that will function well in each of the highly diverse types of emergencies in which the Department could be involved. 2 figs

  13. Genetic modulation of energy metabolism in birds through mitochondrial function

    NARCIS (Netherlands)

    Tieleman, B. Irene; Versteegh, Maaike A.; Fries, Anthony; Helm, Barbara; Dingemanse, Niels J.; Gibbs, H. Lisle; Williams, Joseph B.

    2009-01-01

    Despite their central importance for the evolution of physiological variation, the genetic mechanisms that determine energy expenditure in animals have largely remained unstudied. We used quantitative genetics to confirm that both mass-specific and whole-organism basal metabolic rate (BMR) were

  14. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-01

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  15. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-21

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  16. Functional zinc oxide nanostructures for electronic and energy applications

    Science.gov (United States)

    Prasad, Abhishek

    ZnO has proven to be a multifunctional material with important nanotechnological applications. ZnO nanostructures can be grown in various forms such as nanowires, nanorods, nanobelts, nanocombs etc. In this work, ZnO nanostructures are grown in a double quartz tube configuration thermal Chemical Vapor Deposition (CVD) system. We focus on functionalized ZnO Nanostructures by controlling their structures and tuning their properties for various applications. The following topics have been investigated: (1) We have fabricated various ZnO nanostructures using a thermal CVD technique. The growth parameters were optimized and studied for different nanostructures. (2) We have studied the application of ZnO nanowires (ZnONWs) for field effect transistors (FETs). Unintentional n-type conductivity was observed in our FETs based on as-grown ZnO NWs. We have then shown for the first time that controlled incorporation of hydrogen into ZnO NWs can introduce p-type characters to the nanowires. We further found that the n-type behaviors remained, leading to the ambipolar behaviors of hydrogen incorporated ZnO NWs. Importantly, the detected p- and n- type behaviors are stable for longer than two years when devices were kept in ambient conditions. All these can be explained by an ab initio model of Zn vacancy-Hydrogen complexes, which can serve as the donor, acceptors, or green photoluminescence quencher, depend on the number of hydrogen atoms involved. (3) Next ZnONWs were tested for electron field emission. We focus on reducing the threshold field (Eth) of field emission from non-aligned ZnO NWs. As encouraged by our results on enhancing the conductivity of ZnO NWs by hydrogen annealing described in Chapter 3, we have studied the effect of hydrogen annealing for improving field emission behavior of our ZnO NWs. We found that optimally annealed ZnO NWs offered much lower threshold electric field and improved emission stability. We also studied field emission from ZnO NWs at moderate

  17. Energy Availability and Reproductive Function in Female Endurance Athletes

    DEFF Research Database (Denmark)

    Melin, Anna Katarina

    and reduced EA, as well as those with oligomenorrhea/FHA, had lower RMR compared to those with either current optimal EA or eumenorrheic athletes. Furthermore, athletes with secondary FHA had increased work efficiency compared to eumenorrheic subjects, indicating a more profound metabolic adaptation in female...... athletes with clinical menstrual dysfunction. All three Triad conditions were common in this group of athletes, despite a normal BMI range and body composition. Furthermore, issues and physiological symptoms related to current low and reduced EA and oligomenorrhea/FHA were not limited to impaired bone...... health, but also included hypoglycaemia, hypercholesterolemia, and hypotension. The results indicated that diets lower in energy density, fat content, compact carbohydrate-rich foods and energy-containing drinks, together with higher fibre content, were associated with current low and reduced EA...

  18. The role of dual-energy computed tomography in the assessment of pulmonary function

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Hye Jeon [Department of Radiology, Hallym University College of Medicine, Hallym University Sacred Heart Hospital, 22, Gwanpyeong-ro 170beon-gil, Dongan-gu, Anyang-si, Gyeonggi-do 431-796 (Korea, Republic of); Hoffman, Eric A. [Departments of Radiology, Medicine, and Biomedical Engineering, University of Iowa, 200 Hawkins Dr, CC 701 GH, Iowa City, IA 52241 (United States); Lee, Chang Hyun; Goo, Jin Mo [Department of Radiology, Seoul National University College of Medicine, 103 Daehak-ro, Jongno-gu, Seoul 110-799 (Korea, Republic of); Levin, David L. [Department of Radiology, Mayo Clinic College of Medicine, 200 First Street, SW, Rochester, MN 55905 (United States); Kauczor, Hans-Ulrich [Diagnostic and Interventional Radiology, University Hospital Heidelberg, Im Neuenheimer Feld 400, 69120 Heidelberg (Germany); Translational Lung Research Center Heidelberg (TLRC), Member of the German Center for Lung Research (DZL), Im Neuenheimer Feld 400, 69120 Heidelberg (Germany); Seo, Joon Beom, E-mail: seojb@amc.seoul.kr [Department of Radiology and Research Institute of Radiology, Asan Medical Center, University of Ulsan College of Medicine, 388-1, Pungnap 2-dong, Songpa-ku, Seoul, 05505 (Korea, Republic of)

    2017-01-15

    Highlights: • The dual-energy CT technique enables the differentiation of contrast materials with material decomposition algorithm. • Pulmonary functional information can be evaluated using dual-energy CT with anatomic CT information, simultaneously. • Pulmonary functional information from dual-energy CT can improve diagnosis and severity assessment of diseases. - Abstract: The assessment of pulmonary function, including ventilation and perfusion status, is important in addition to the evaluation of structural changes of the lung parenchyma in various pulmonary diseases. The dual-energy computed tomography (DECT) technique can provide the pulmonary functional information and high resolution anatomic information simultaneously. The application of DECT for the evaluation of pulmonary function has been investigated in various pulmonary diseases, such as pulmonary embolism, asthma and chronic obstructive lung disease and so on. In this review article, we will present principles and technical aspects of DECT, along with clinical applications for the assessment pulmonary function in various lung diseases.

  19. Formation energies of rutile metal dioxides using density functional theory

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Hansen, Heine Anton; Rossmeisl, Jan

    2009-01-01

    We apply standard density functional theory at the generalized gradient approximation (GGA) level to study the stability of rutile metal oxides. It is well known that standard GGA exchange and correlation in some cases is not sufficient to address reduction and oxidation reactions. Especially...... and due to a more accurate description of exchange for this particular GGA functional compared to PBE. Furthermore, we would expect the self-interaction problem to be largest for the most localized d orbitals; that means the late 3d metals and since Co, Fe, Ni, and Cu do not form rutile oxides...

  20. Dispersive effects of transverse displacements of SLC Arc magnets

    International Nuclear Information System (INIS)

    Murray, J.J.; Fieguth, T.; Kheifets, S.

    1986-01-01

    The SLC Arc magnets are subject to random displacements and field errors resulting in unpredictable transverse displacement of the central trajectory from that of the design. The chosen method of correcting this perturbed trajectory in the SLC Arcs utilizes mechanical movement of the combined function magnets which compose the Arc transport lines. Here we present the results of a recent investigation substantiating the earlier results which led to the adoption of this method

  1. Earthquake damage to underground facilities and earthquake related displacement fields

    International Nuclear Information System (INIS)

    Pratt, H.R.; Stephenson, D.E.; Zandt, G.; Bouchon, M.; Hustrulid, W.A.

    1982-01-01

    The potential seismic risk for an underground facility is considered in the evaluation of its location and design. The possible damage resulting from either large-scale displacements or high accelerations should be considered in evaluating potential sites of underground facilities. Scattered through the available literature are statements to the effect that below a few hundred meters shaking and damage in mines is less than at the surface; however, data for decreased damage underground have not been completely reported or explained. In order to assess the seismic risk for an underground facility, a data base was established and analyzed to evaluate the potential for seismic disturbance. Substantial damage to underground facilities is usually the result of displacements primarily along pre-existing faults and fractures, or at the surface entrance to these facilities. Evidence of this comes from both earthquakes as a function of depth is important in the evaluation of the hazard to underground facilities. To evaluate potential displacements due to seismic effects of block motions along pre-existing or induced fractures, the displacement fields surrounding two types of faults were investigated. Analytical models were used to determine relative displacements of shafts and near-surface displacement of large rock masses. Numerical methods were used to determine the displacement fields associated with pure strike-slip and vertical normal faults. Results are presented as displacements for various fault lengths as a function of depth and distance. This provides input to determine potential displacements in terms of depth and distance for underground facilities, important for assessing potential sites and design parameters

  2. Expanded explorations into the optimization of an energy function for protein design

    Science.gov (United States)

    Huang, Yao-ming; Bystroff, Christopher

    2014-01-01

    Nature possesses a secret formula for the energy as a function of the structure of a protein. In protein design, approximations are made to both the structural representation of the molecule and to the form of the energy equation, such that the existence of a general energy function for proteins is by no means guaranteed. Here we present new insights towards the application of machine learning to the problem of finding a general energy function for protein design. Machine learning requires the definition of an objective function, which carries with it the implied definition of success in protein design. We explored four functions, consisting of two functional forms, each with two criteria for success. Optimization was carried out by a Monte Carlo search through the space of all variable parameters. Cross-validation of the optimized energy function against a test set gave significantly different results depending on the choice of objective function, pointing to relative correctness of the built-in assumptions. Novel energy cross-terms correct for the observed non-additivity of energy terms and an imbalance in the distribution of predicted amino acids. This paper expands on the work presented at ACM-BCB, Orlando FL , October 2012. PMID:24384706

  3. Study on energy demand function of korea considering replacement among energy sources and the structural changes of demand behavior

    Energy Technology Data Exchange (ETDEWEB)

    Moon, C.K. [Korea Energy Economics Institute, Euiwang (Korea, Republic of)

    1997-08-01

    If the necessity of careful study on energy function is mentioned, it should be stressed that energy investment not only needs a long gestation period but also, acts as the bottleneck in the production capacity of an economy when investment is not enough. Thereby, the adverse effect of an energy supply shortage is very big. Especially, the replacement/supplemental relationship between energy and capital which corresponds to the movement on the iso-quanta curve is believed to have a direct relation with the answer as to whether long-term economic development would be possible under an energy crisis and its influence on technology selection. Furthermore, the advantages of technological advances which correspond to the movement on the iso-quanta curve has a direct relation with the question whether long-term economic development would be possible under an energy crisis depending on whether its direction is toward energy-saving or energy-consuming. This study tackles the main issues and outlines of the quantitative approach method based on the accounting approach method for modeling energy demand, quantitative economics approach method, and production model. In order to model energy demand of the Korean manufacturing industry, related data was established and a positive analytical model is completed and presented based on these. 122 refs., 10 tabs.

  4. Magnetic field effects on the quantum wire energy spectrum and Green's function

    International Nuclear Information System (INIS)

    Morgenstern Horing, Norman J.

    2010-01-01

    We analyze the energy spectrum and propagation of electrons in a quantum wire on a 2D host medium in a normal magnetic field, representing the wire by a 1D Dirac delta function potential which would support just a single subband state in the absence of the magnetic field. The associated Schroedinger Green's function for the quantum wire is derived in closed form in terms of known functions and the Landau quantized subband energy spectrum is examined.

  5. Energy substrates to support glutamatergic and GABAergic synaptic function

    DEFF Research Database (Denmark)

    Schousboe, Arne; Bak, Lasse K; Sickmann, Helle M

    2007-01-01

    under normal conditions is glucose but at the cellular level, i.e., neurons and astrocytes, lactate may play an important role as well. In addition to this the possibility exists that glycogen, which functions as a glucose storage molecule and which is only present in astrocytes, could play a role...

  6. Energy vs. density on paths toward exact density functionals

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2018-01-01

    Recently, the progression toward more exact density functional theory has been questioned, implying a need for more formal ways to systematically measure progress, i.e. a “path”. Here I use the Hohenberg-Kohn theorems and the definition of normality by Burke et al. to define a path toward exactness...

  7. Contactless sub-millimeter displacement measurements

    Science.gov (United States)

    Sliepen, Guus; Jägers, Aswin P. L.; Bettonvil, Felix C. M.; Hammerschlag, Robert H.

    2008-07-01

    Weather effects on foldable domes, as used at the DOT and GREGOR, are investigated, in particular the correlation between the wind field and the stresses caused to both metal framework and tent clothing. Camera systems measure contactless the displacement of several dome points. The stresses follow from the measured deformation pattern. The cameras placed near the dome floor do not disturb telescope operations. In the set-ups of DOT and GREGOR, these cameras are up to 8 meters away from the measured points and must be able to detect displacements of less than 0.1 mm. The cameras have a FireWire (IEEE1394) interface to eliminate the need for frame grabbers. Each camera captures 15 images of 640 × 480 pixels per second. All data is processed on-site in real-time. In order to get the best estimate for the displacement within the constraints of available processing power, all image processing is done in Fourier-space, with all convolution operations being pre-computed once. A sub-pixel estimate of the peak of the correlation function is made. This enables to process the images of four cameras using only one commodity PC with a dual-core processor, and achieve an effective sensitivity of up to 0.01 mm. The deformation measurements are well correlated to the simultaneous wind measurements. The results are of high interest to upscaling the dome design (ELTs and solar telescopes).

  8. Is Fibular Fracture Displacement Consistent with Tibiotalar Displacement?

    NARCIS (Netherlands)

    van den Bekerom, Michel P. J.; van Dijk, C. Niek

    2010-01-01

    We believed open reduction with internal fixation is required for supination-external rotation ankle fractures located at the level of the distal tibiofibular syndesmosis (Lauge-Hanssen SER II and Weber B) with 2 mm or more fibular fracture displacement. The rationale for surgery for these ankle

  9. Particle displacement tracking for PIV

    Science.gov (United States)

    Wernet, Mark P.

    1990-01-01

    A new Particle Imaging Velocimetry (PIV) data acquisition and analysis system, which is an order of magnitude faster than any previously proposed system has been constructed and tested. The new Particle Displacement Tracing (PDT) system is an all electronic technique employing a video camera and a large memory buffer frame-grabber board. Using a simple encoding scheme, a time sequence of single exposure images are time coded into a single image and then processed to track particle displacements and determine velocity vectors. Application of the PDT technique to a counter-rotating vortex flow produced over 1100 velocity vectors in 110 seconds when processed on an 80386 PC.

  10. Of energy and the economy. Theory and evidence of their functional relationships

    Energy Technology Data Exchange (ETDEWEB)

    Chang, V.

    2007-07-01

    The author of the contribution under consideration offers a set of explicit functional relationships that link energy and the economy. Despite the reliance on energy permeating the whole economy, no such complete relationships had been presented before. The relevant questions are: (a) How related are energy and the economy? (b) What role does energy play in the economic growth? Under this aspect, the author theorizes the role of energy and then tests it with economic models, using data from 16 OECD countries from 1980 to 2001. The main results are the following: (a) Energy is a cross-country representative good whose prices are equalized when converted to a reference currency. Thus, energy prices satisfy the purchasing power parity. For all but one country, the half life of the real exchange rate is less than a year and as low as six months, shorter than those derived by other real exchange rate measures; (b) Considering energy a cross-time representative good, a country's utility function is inversely proportional to both its income share of energy and its energy price. The author obtains an explicit, unified two-dimensional (cross countries and time) production function with energy and non-energy as the two inputs; (c) The author concludes a cross-country parity relationship for income shares of energy, similar to that for energy prices. Furthermore, the author provides an intertemporal connection between the trajectory of the income share of energy and the productivity growth of the economy; (d) The author demonstrates the tradeoffs between energy efficiency and economic wellbeing, with the energy price being the medium of the tradeoffs.

  11. Four-point correlation function of stress-energy tensors in N=4 superconformal theories

    CERN Document Server

    Korchemsky, G P

    2015-01-01

    We derive the explicit expression for the four-point correlation function of stress-energy tensors in four-dimensional N=4 superconformal theory. We show that it has a remarkably simple and suggestive form allowing us to predict a large class of four-point correlation functions involving the stress-energy tensor and other conserved currents. We then apply the obtained results on the correlation functions to computing the energy-energy correlations, which measure the flow of energy in the final states created from the vacuum by a source. We demonstrate that they are given by a universal function independent of the choice of the source. Our analysis relies only on N=4 superconformal symmetry and does not use the dynamics of the theory.

  12. The Effect of Basepair Mismatch on DNA Strand Displacement.

    Science.gov (United States)

    Broadwater, D W Bo; Kim, Harold D

    2016-04-12

    DNA strand displacement is a key reaction in DNA homologous recombination and DNA mismatch repair and is also heavily utilized in DNA-based computation and locomotion. Despite its ubiquity in science and engineering, sequence-dependent effects of displacement kinetics have not been extensively characterized. Here, we measured toehold-mediated strand displacement kinetics using single-molecule fluorescence in the presence of a single basepair mismatch. The apparent displacement rate varied significantly when the mismatch was introduced in the invading DNA strand. The rate generally decreased as the mismatch in the invader was encountered earlier in displacement. Our data indicate that a single base pair mismatch in the invader stalls branch migration and displacement occurs via direct dissociation of the destabilized incumbent strand from the substrate strand. We combined both branch migration and direct dissociation into a model, which we term the concurrent displacement model, and used the first passage time approach to quantitatively explain the salient features of the observed relationship. We also introduce the concept of splitting probabilities to justify that the concurrent model can be simplified into a three-step sequential model in the presence of an invader mismatch. We expect our model to become a powerful tool to design DNA-based reaction schemes with broad functionality. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  13. Nonlocal exchange and kinetic-energy density functionals for electronic systems

    International Nuclear Information System (INIS)

    Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

    1992-01-01

    The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

  14. Analytical potential energy function for the Br + H{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Kurosaki, Yuzuru [Japan Atomic Energy Research Inst., Kizu, Kyoto (Japan). Kansai Research Establishment

    2001-10-01

    Analytical functions with a many-body expansion for the ground and first-excited-state potential energy surfaces for the Br+H{sub 2} system are newly presented in this work. These functions describe the abstraction and exchange reactions qualitatively well, although it has been found that the function for the ground-state potential surface is still quantitatively unsatisfactory. (author)

  15. Equation satisfied by electron-electron mutual Coulomb repulsion energy density functional

    OpenAIRE

    Joubert, Daniel P.

    2011-01-01

    The electron-electron mutual Coulomb repulsion energy density functional satisfies an equation that links functionals and functional derivatives at N-electron and (N-1)-electron densities for densities determined from the same adiabatic scaled external potential for the N-electron system.

  16. The Changes of Energy Interactions between Nucleus Function and Mitochondria Functions Causing Transmutation of Chronic Inflammation into Cancer Metabolism.

    Science.gov (United States)

    Ponizovskiy, Michail R

    2016-01-01

    Interactions between nucleus and mitochondria functions induce the mechanism of maintenance stability of cellular internal energy according to the first law of thermodynamics in able-bodied cells and changes the mechanisms of maintenance stability of cellular internal energy creating a transition stationary state of ablebodied cells into quasi-stationary pathologic states of acute inflammation transiting then into chronic inflammation and then transmuting into cancer metabolism. The mechanisms' influences of intruding etiologic pathologic agents (microbe, virus, etc.) lead to these changes of energy interactions between nucleus and mitochondria functions causing general acute inflammation, then passing into local chronic inflammation, and reversing into cancer metabolism transmutation. Interactions between biochemical processes and biophysical processes of cellular capacitors' operations create a supplementary mechanism of maintenance stability of cellular internal energy in the norm and in pathology. Discussion of some scientific works eliminates doubts of the authors of these works.

  17. Evaluation of the Effects of Different Energy Drinks and Coffee on Endothelial Function.

    Science.gov (United States)

    Molnar, Janos; Somberg, John C

    2015-11-01

    Endothelial function plays an important role in circulatory physiology. There has been differing reports on the effect of energy drink on endothelial function. We set out to evaluate the effect of 3 energy drinks and coffee on endothelial function. Endothelial function was evaluated in healthy volunteers using a device that uses digital peripheral arterial tonometry measuring endothelial function as the reactive hyperemia index (RHI). Six volunteers (25 ± 7 years) received energy drink in a random order at least 2 days apart. Drinks studied were 250 ml "Red Bull" containing 80 mg caffeine, 57 ml "5-hour Energy" containing 230 mg caffeine, and a can of 355 ml "NOS" energy drink containing 120 mg caffeine. Sixteen volunteers (25 ± 5 years) received a cup of 473 ml coffee containing 240 mg caffeine. Studies were performed before drink (baseline) at 1.5 and 4 hours after drink. Two of the energy drinks (Red Bull and 5-hour Energy) significantly improved endothelial function at 4 hours after drink, whereas 1 energy drink (NOS) and coffee did not change endothelial function significantly. RHI increased by 82 ± 129% (p = 0.028) and 63 ± 37% (p = 0.027) after 5-hour Energy and Red Bull, respectively. The RHI changed after NOS by 2 ± 30% (p = 1.000) and by 7 ± 30% (p = 1.000) after coffee. In conclusion, some energy drinks appear to significantly improve endothelial function. Caffeine does not appear to be the component responsible for these differences. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. Temperature dependence of energy-transducing functions and inhibitor sensitivity in chloroplasts

    Energy Technology Data Exchange (ETDEWEB)

    Schuurmans, J.J.; Veerman, E.C.I.; Francke, J.A.; Torres-Pereira, J.M.G.; Kraayenhof, R.

    1984-01-01

    A comparative analysis of the temperature dependence of energy-transducing reactions in spinach (Spinacia oleracea) chloroplasts and their sensitivity for uncouplers and energy-transfer inhibitors at different temperatures is presented. Arrhenius plots reveal two groups of transitions, around 19/sup 0/C and around 12/sup 0/C. Activities that show transitions around 19/sup 0/C include linear electron flow from water to ferricyanide, its coupled photophosphorylation, the dark-release of the fluorescent probe atebrin, and the slow component of the 515 nm (carotenoid) absorbance decay after a flash. The transitions around 12/sup 0/C are observed with pyocyanine-mediated cyclic photophosphorylation, light- and dithioerythritol-activated ATP hydrolysis, the dark-release of protons, and the fast 515 nm decay component. It is suggested that both groups of temperature transitions are determined by proton displacements in different domains of the exposed thylakoid membranes. The effects of various uncouplers and an energy-transfer inhibitor are temperature dependent. Some uncouplers also show a different relative inhibition of proton uptake and ATP synthesis at lower temperatures. The efficiency of energy transduction (ATP/e/sub 3/) varied with temperature and was optimal around 10/sup 0/C.

  19. Fundamentals of displacement production in irradiated metals

    International Nuclear Information System (INIS)

    Doran, D.G.

    1975-09-01

    Radioinduced displacement damage in metals is described. Discussions are included on the displacement event itself, calculation of displacement rates in general, the manner in which different types of radiation interact with metals to produce displacements, the similarities and differences in the types of damage produced, the current status of computer simulations of displacement cascades, experimental evidence regarding cascades, and aspects of correlating damage produced by different types of radiation

  20. Urban displaced youth in Kabul

    Directory of Open Access Journals (Sweden)

    Nassim Majidi

    2014-05-01

    Full Text Available Displaced young people in Kabul are waiting to see what the coming year brings for Afghanistan before making a decision as whether to move on again. This provides a window of opportunity to develop youth-sensitive programming.

  1. 187 DISPLACEMENT AND ENVIRONMENTAL PROTECTION

    African Journals Online (AJOL)

    Fr. Ikenga

    The national and international communities are confronted with the monumental task of ... displacement and environmental protection present a vicious cycle which today has ... Thus, issues of environmental protection viz-a-viz investment and .... out the conditions for product or process standards, the use of best available ...

  2. Approximated calculation of the vacuum wave function and vacuum energy of the LGT with RPA method

    International Nuclear Information System (INIS)

    Hui Ping

    2004-01-01

    The coupled cluster method is improved with the random phase approximation (RPA) to calculate vacuum wave function and vacuum energy of 2 + 1 - D SU(2) lattice gauge theory. In this calculating, the trial wave function composes of single-hollow graphs. The calculated results of vacuum wave functions show very good scaling behaviors at weak coupling region l/g 2 >1.2 from the third order to the sixth order, and the vacuum energy obtained with RPA method is lower than the vacuum energy obtained without RPA method, which means that this method is a more efficient one

  3. Image Fusion Based on the \\({\\Delta ^{ - 1}} - T{V_0}\\ Energy Function

    Directory of Open Access Journals (Sweden)

    Qiwei Xie

    2014-11-01

    Full Text Available This article proposes a \\({\\Delta^{-1}}-T{V_0}\\ energy function to fuse a multi-spectral image with a panchromatic image. The proposed energy function consists of two components, a \\(TV_0\\ component and a \\(\\Delta^{-1}\\ component. The \\(TV_0\\ term uses the sparse priority to increase the detailed spatial information; while the \\({\\Delta ^{ - 1}}\\ term removes the block effect of the multi-spectral image. Furthermore, as the proposed energy function is non-convex, we also adopt an alternative minimization algorithm and the \\(L_0\\ gradient minimization to solve it. Experimental results demonstrate the improved performance of the proposed method over existing methods.

  4. Experimental parameterization of an energy function for the simulation of unfolded proteins

    DEFF Research Database (Denmark)

    Norgaard, A.B.; Ferkinghoff-Borg, Jesper; Lindorff-Larsen, K.

    2008-01-01

    The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle and e...... and can be applied to a range of experimental data and energy functions including the force fields used in molecular dynamics simulations.......The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle...

  5. Functional Domain Walls as Active Elements for Energy Technology

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Junqiao [Univ. of California, Berkeley, CA (United States)

    2016-10-12

    In the past five years in the duration of this project (July 2011-July 2016), we have made a wide range of achievements in both basic research and energy applications along the direction planned in the original proposal. These achievements were reflected by 13 articles published in peer-reviewed journals including Nature Communications, Nano Letters, etc., and one currently in revision at Science. These papers have been accumulatively cited for more than 660 times as of October 2016, according to Web of Science statistics. Specifically, we have made impactful discoveries in the following fields. Basic Research. We have investigated in depth the materials physics of the representative quantum material, VO2, on which most of our project is anchored. We have discovered that independent diffusion of heat and charge in the absence of quasiparticles in metallic VO2 leads to an anomalously low electronic thermal conductivity, dramatically violating the Wiedemann-Franz law, which is a robust law governing behavior of normal conductors stating that free electrons transport heat proportionally to the charge they transport. In addition, we have discovered a peculiar thermal rectification effect based on its phase transition, as well as a gating response of the phase transition. In parallel to the work on VO2, we have also made breakthroughs in investigation of transition metal dichalcogenides (TMDs): we have experimentally demonstrate a strong anisotropy in in-plane thermal conductivity of black phosphorous, discovered a new, unusual member of the TMDs family, ReS2, where the bulk behaves as monolayers due to electronic and vibrational decoupling, unusual interaction between physi-sorbed molecules and 2D semiconductors, and thermally driven crossover from indirect toward direct bandgap in some 2D TMDs. Applications. Based on the understanding and knowledge gained from the basic investigation, we have developed novel tools and

  6. Functional nanomaterials and devices for electronics, sensors and energy harvesting

    CERN Document Server

    Balestra, Francis; Kilchytska, Valeriya; Flandre, Denis

    2014-01-01

    This book contains reviews of recent experimental and theoretical results related to nanomaterials. It focuses on novel functional materials and nanostructures in combination with silicon on insulator (SOI) devices, as well as on the physics of new devices and sensors, nanostructured materials and nano scaled device characterization. Special attention is paid to fabrication and properties of modern low-power, high-performance, miniaturized, portable sensors in a wide range of applications such as telecommunications, radiation control, biomedical instrumentation and chemical analysis. In this book, new approaches exploiting nanotechnologies (such as UTBB FD SOI, Fin FETs, nanowires, graphene or carbon nanotubes on dielectric) to pave a way between “More Moore” and “More than Moore” are considered, in order to create different kinds of sensors and devices which will consume less electrical power, be more portable and totally compatible with modern microelectronics products.

  7. Control of DNA strand displacement kinetics using toehold exchange.

    Science.gov (United States)

    Zhang, David Yu; Winfree, Erik

    2009-12-02

    DNA is increasingly being used as the engineering material of choice for the construction of nanoscale circuits, structures, and motors. Many of these enzyme-free constructions function by DNA strand displacement reactions. The kinetics of strand displacement can be modulated by toeholds, short single-stranded segments of DNA that colocalize reactant DNA molecules. Recently, the toehold exchange process was introduced as a method for designing fast and reversible strand displacement reactions. Here, we characterize the kinetics of DNA toehold exchange and model it as a three-step process. This model is simple and quantitatively predicts the kinetics of 85 different strand displacement reactions from the DNA sequences. Furthermore, we use toehold exchange to construct a simple catalytic reaction. This work improves the understanding of the kinetics of nucleic acid reactions and will be useful in the rational design of dynamic DNA and RNA circuits and nanodevices.

  8. Experience of regulatory body functioning in energy industry of Ukraine: Prospects for future development of state regulation of energy

    International Nuclear Information System (INIS)

    Oruskaya, M.

    2002-01-01

    Materials collected (presented) in the paper introduce to (familiarise) the audience with the main forms, methods and phases of the state regulation of energy industry in Ukraine in the period of transition to market economy. Special attention was paid to the following aspects: 1. Necessity and history of establishment of special regulatory body in Ukraine - The National Electricity Regulatory Commission (NERC); 2. The main tasks and authorities of NERC according to the Ukraine Law on Energy Sector; 3. Regulation mechanisms of the main processes in the energy industry used by the Commission on the current level of energy sector development and economic results of its introduction; 4. Problems with functioning of the wholesale energy market specifically as the main component of the Ukraine energy industry and trends of future development (improvement of energy industry's financial situation, intensification of competition between energy producers and suppliers, improvement of tariff and investment policies, etc.); 5. Necessity and ways of future improvement of the standards and legal basis for regulation in Ukraine. (author)

  9. Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels.

    Science.gov (United States)

    Kolpak, Alexie M; Grossman, Jeffrey C

    2011-08-10

    Solar thermal fuels, which reversibly store solar energy in molecular bonds, are a tantalizing prospect for clean, renewable, and transportable energy conversion/storage. However, large-scale adoption requires enhanced energy storage capacity and thermal stability. Here we present a novel solar thermal fuel, composed of azobenzene-functionalized carbon nanotubes, with the volumetric energy density of Li-ion batteries. Our work also demonstrates that the inclusion of nanoscale templates is an effective strategy for design of highly cyclable, thermally stable, and energy-dense solar thermal fuels.

  10. Correlation energy functional within the GW -RPA: Exact forms, approximate forms, and challenges

    Science.gov (United States)

    Ismail-Beigi, Sohrab

    2010-05-01

    In principle, the Luttinger-Ward Green’s-function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact expressions for the correlation energy within the GW -random-phase approximation that are more amenable to computation and allow for developing efficient approximations to the self-energy operator and correlation energy. The exact form is a sum over differences between plasmon and interband energies. The approximate forms are based on summing over screened interband transitions. We also demonstrate that blind extremization of such functionals leads to unphysical results: imposing physical constraints on the allowed solutions (Green’s functions) is necessary. Finally, we present some relevant numerical results for atomic systems.

  11. Energy consumption of building related energy functions in houses and utility buildings

    International Nuclear Information System (INIS)

    Van Arkel, W.G.; Jeeninga, H.; Menkveld, M.; Ruijg, G.J.

    1999-11-01

    This study investigates the development of the use of electricity and natural gas in houses and buildings until 2010. For the domestic sector it is studied how much energy is used now and will be used in future for heating, for production of hot water, for lighting, for ventilation and for cooling. For different sorts of buildings (shops, hospitals, schools, offices, restaurants) it has been determined how much gas will be used for heating, for hot water production and by humidifiers. It has also been calculated how much electricity will be used for lighting, ventilation, cooling and humidifying. The influence of higher and lower energy prices on the amount of use has been studied. Experts have been asked to give their opinions on trends in the use of buildings and the role of new technologies. The influence of these ideas on the use of energy has been calculated. 44 refs

  12. Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods

    NARCIS (Netherlands)

    Swart, M.; Sola, M.; Bickelhaupt, F.M.

    2007-01-01

    We have carried out a detailed evaluation of the performance of all classes of density functional theory (DFT) for describing the potential energy surface (PES) of a wide range of nucleophilic substitution (S

  13. Single-particle energies and density of states in density functional theory

    Science.gov (United States)

    van Aggelen, H.; Chan, G. K.-L.

    2015-07-01

    Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

  14. Force transmissibility versus displacement transmissibility

    Science.gov (United States)

    Lage, Y. E.; Neves, M. M.; Maia, N. M. M.; Tcherniak, D.

    2014-10-01

    It is well-known that when a single-degree-of-freedom (sdof) system is excited by a continuous motion of the foundation, the force transmissibility, relating the force transmitted to the foundation to the applied force, equals the displacement transmissibility. Recent developments in the generalization of the transmissibility to multiple-degree-of-freedom (mdof) systems have shown that similar simple and direct relations between both types of transmissibility do not appear naturally from the definitions, as happens in the sdof case. In this paper, the authors present their studies on the conditions under which it is possible to establish a relation between force transmissibility and displacement transmissibility for mdof systems. As far as the authors are aware, such a relation is not currently found in the literature, which is justified by being based on recent developments in the transmissibility concept for mdof systems. Indeed, it does not appear naturally, but the authors observed that the needed link is present when the displacement transmissibility is obtained between the same coordinates where the applied and reaction forces are considered in the force transmissibility case; this implies that the boundary conditions are not exactly the same and instead follow some rules. This work presents a formal derivation of the explicit relation between the force and displacement transmissibilities for mdof systems, and discusses its potential and limitations. The authors show that it is possible to obtain the displacement transmissibility from measured forces, and the force transmissibility from measured displacements, opening new perspectives, for example, in the identification of applied or transmitted forces. With this novel relation, it becomes possible, for example, to estimate the force transmissibility matrix with the structure off its supports, in free boundary conditions, and without measuring the forces. As far as force identification is concerned, this

  15. Frequency response function of motors for switching noise energy with a new experimental approach

    International Nuclear Information System (INIS)

    Kim, Hyunsu; Yoon, Jong-Yun

    2017-01-01

    Switching energy in electrical vehicles can create serious noise from the motors. However, the characteristics of switching noise in vehicle motors are not clear due to the complexity of measuring them. This study proposes a new experimental method to investigate the switching noise energy of a vehicle motor based on frequency response functions. A function generator-amplifier system is used to gen- erate the switching energy instead of the complex battery-inverter system that has previously been used to examine the noise energy characteristics. Even though newly adapted experimental method is simple, the switching noise energy was explicitly investigated under various input signals. Thus, this simple new method can be used to investigate the dynamic characteristics of noise energy in a vehicle motor

  16. Frequency response function of motors for switching noise energy with a new experimental approach

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyunsu [Ensemble Center for Automotive Research, Seoul (Korea, Republic of); Yoon, Jong-Yun [Incheon National University, Incheon (Korea, Republic of)

    2017-06-15

    Switching energy in electrical vehicles can create serious noise from the motors. However, the characteristics of switching noise in vehicle motors are not clear due to the complexity of measuring them. This study proposes a new experimental method to investigate the switching noise energy of a vehicle motor based on frequency response functions. A function generator-amplifier system is used to gen- erate the switching energy instead of the complex battery-inverter system that has previously been used to examine the noise energy characteristics. Even though newly adapted experimental method is simple, the switching noise energy was explicitly investigated under various input signals. Thus, this simple new method can be used to investigate the dynamic characteristics of noise energy in a vehicle motor.

  17. Nuclear energy density functional from chiral pion-nucleon dynamics revisited

    OpenAIRE

    Kaiser, N.; Weise, W.

    2009-01-01

    We use a recently improved density-matrix expansion to calculate the nuclear energy density functional in the framework of in-medium chiral perturbation theory. Our calculation treats systematically the effects from $1\\pi$-exchange, iterated $1\\pi$-exchange, and irreducible $2\\pi$-exchange with intermediate $\\Delta$-isobar excitations, including Pauli-blocking corrections up to three-loop order. We find that the effective nucleon mass $M^*(\\rho)$ entering the energy density functional is iden...

  18. Towards improved local hybrid functionals by calibration of exchange-energy densities

    International Nuclear Information System (INIS)

    Arbuznikov, Alexei V.; Kaupp, Martin

    2014-01-01

    A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities

  19. Model for transport and reaction of defects and carriers within displacement cascades in gallium arsenide

    International Nuclear Information System (INIS)

    Wampler, William R.; Myers, Samuel M.

    2015-01-01

    A model is presented for recombination of charge carriers at evolving displacement damage in gallium arsenide, which includes clustering of the defects in atomic displacement cascades produced by neutron or ion irradiation. The carrier recombination model is based on an atomistic description of capture and emission of carriers by the defects with time evolution resulting from the migration and reaction of the defects. The physics and equations on which the model is based are presented, along with the details of the numerical methods used for their solution. The model uses a continuum description of diffusion, field-drift and reaction of carriers, and defects within a representative spherically symmetric cluster of defects. The initial radial defect profiles within the cluster were determined through pair-correlation-function analysis of the spatial distribution of defects obtained from the binary-collision code MARLOWE, using recoil energies for fission neutrons. Properties of the defects are discussed and values for their parameters are given, many of which were obtained from density functional theory. The model provides a basis for predicting the transient response of III-V heterojunction bipolar transistors to displacement damage from energetic particle irradiation

  20. A thermal modelling of displacement cascades in uranium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Martin, G., E-mail: guillaume.martin@cea.fr [CEA – DEN/DEC/SESC/LLCC, Bât. 352, 13108 Saint-Paul-Lez-Durance Cedex (France); Garcia, P.; Sabathier, C. [CEA – DEN/DEC/SESC/LLCC, Bât. 352, 13108 Saint-Paul-Lez-Durance Cedex (France); Devynck, F.; Krack, M. [Laboratory for Reactor Physics and Systems Behaviour, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Maillard, S. [CEA – DEN/DEC/SESC/LLCC, Bât. 352, 13108 Saint-Paul-Lez-Durance Cedex (France)

    2014-05-01

    The space and time dependent temperature distribution was studied in uranium dioxide during displacement cascades simulated by classical molecular dynamics (MD). The energy for each simulated radiation event ranged between 0.2 keV and 20 keV in cells at initial temperatures of 700 K or 1400 K. Spheres into which atomic velocities were rescaled (thermal spikes) have also been simulated by MD to simulate the thermal excitation induced by displacement cascades. Equipartition of energy was shown to occur in displacement cascades, half of the kinetic energy of the primary knock-on atom being converted after a few tenths of picoseconds into potential energy. The kinetic and potential parts of the system energy are however subjected to little variations during dedicated thermal spike simulations. This is probably due to the velocity rescaling process, which impacts a large number of atoms in this case and would drive the system away from a dynamical equilibrium. This result makes questionable MD simulations of thermal spikes carried out up to now (early 2014). The thermal history of cascades was compared to the heat equation solution of a punctual thermal excitation in UO{sub 2}. The maximum volume brought to a temperature above the melting temperature during the simulated cascade events is well reproduced by this simple model. This volume eventually constitutes a relevant estimate of the volume affected by a displacement cascade in UO{sub 2}. This definition of the cascade volume could also make sense in other materials, like iron.

  1. Alternative separation of exchange and correlation energies in range-separated density-functional perturbation theory

    DEFF Research Database (Denmark)

    Cornaton, Y.; Stoyanova, A.; Jensen, Hans Jørgen Aagaard

    2013-01-01

    of the noninteracting Kohn-Sham one. When second-order corrections to the density are neglected, the energy expression reduces to a range-separated double-hybrid (RSDH) type of functional, RSDHf, where "f" stands for "full-range integrals" as the regular full-range interaction appears explicitly in the energy...

  2. Structure functions and parton distributions in deep inelastic lepton-hadron scattering at high energies

    International Nuclear Information System (INIS)

    Bluemlein, J.

    1993-08-01

    The possibilities to measure structure functions, to extract parton distributions, and to measure α s and Λ QCD in current and future high energy deep inelastic scattering experiments are reviewed. A comparison is given for experiments at HERA, an ep option at LEP xLHC, and a high energy neutrino experiment. (orig.)

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

    International Nuclear Information System (INIS)

    1998-01-01

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

  4. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.

    Science.gov (United States)

    Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

    2008-04-24

    We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results

  5. Photochemical Acceleration of DNA Strand Displacement by Using Ultrafast DNA Photo-crosslinking.

    Science.gov (United States)

    Nakamura, Shigetaka; Hashimoto, Hirokazu; Kobayashi, Satoshi; Fujimoto, Kenzo

    2017-10-18

    DNA strand displacement is an essential reaction in genetic recombination, biological processes, and DNA nanotechnology. In particular, various DNA nanodevices enable complicated calculations. However, it takes time before the output is obtained, so acceleration of DNA strand displacement is required for a rapid-response DNA nanodevice. Herein, DNA strand displacement by using DNA photo-crosslinking to accelerate this displacement is evaluated. The DNA photo-crosslinking of 3-cyanovinylcarbazole ( CNV K) was accelerated at least 20 times, showing a faster DNA strand displacement. The rate of photo-crosslinking is a key factor and the rate of DNA strand displacement is accelerated through ultrafast photo-crosslinking. The rate of DNA strand displacement was regulated by photoirradiation energy. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Applications of Skyrme energy-density functional to fusion reactions spanning the fusion barriers

    International Nuclear Information System (INIS)

    Liu Min; Wang, Ning; Li Zhuxia; Wu Xizhen; Zhao Enguang

    2006-01-01

    The Skyrme energy density functional has been applied to the study of heavy-ion fusion reactions. The barriers for fusion reactions are calculated by the Skyrme energy density functional with proton and neutron density distributions determined by using restricted density variational (RDV) method within the same energy density functional together with semi-classical approach known as the extended semi-classical Thomas-Fermi method. Based on the fusion barrier obtained, we propose a parametrization of the empirical barrier distribution to take into account the multi-dimensional character of real barrier and then apply it to calculate the fusion excitation functions in terms of barrier penetration concept. A large number of measured fusion excitation functions spanning the fusion barriers can be reproduced well. The competition between suppression and enhancement effects on sub-barrier fusion caused by neutron-shell-closure and excess neutron effects is studied

  7. Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

    Science.gov (United States)

    Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

    2018-04-01

    The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

  8. Functional approach for pairing in finite systems: How to define restoration of broken symmetries in Energy Density Functional theory?

    International Nuclear Information System (INIS)

    Hupin, G; Lacroix, D; Bender, M

    2011-01-01

    The Multi-Reference Energy Density Functional (MR-EDF) approach (also called configuration mixing or Generator Coordinate Method), that is commonly used to treat pairing in finite nuclei and project onto particle number, is re-analyzed. It is shown that, under certain conditions, the MR-EDF energy can be interpreted as a functional of the one-body density matrix of the projected state with good particle number. Based on this observation, we propose a new approach, called Symmetry-Conserving EDF (SC-EDF), where the breaking and restoration of symmetry are accounted for simultaneously. We show, that such an approach is free from pathologies recently observed in MR-EDF and can be used with a large flexibility on the density dependence of the functional.

  9. Application of wavelet scaling function expansion continuous-energy resonance calculation method to MOX fuel problem

    International Nuclear Information System (INIS)

    Yang, W.; Wu, H.; Cao, L.

    2012-01-01

    More and more MOX fuels are used in all over the world in the past several decades. Compared with UO 2 fuel, it contains some new features. For example, the neutron spectrum is harder and more resonance interference effects within the resonance energy range are introduced because of more resonant nuclides contained in the MOX fuel. In this paper, the wavelets scaling function expansion method is applied to study the resonance behavior of plutonium isotopes within MOX fuel. Wavelets scaling function expansion continuous-energy self-shielding method is developed recently. It has been validated and verified by comparison to Monte Carlo calculations. In this method, the continuous-energy cross-sections are utilized within resonance energy, which means that it's capable to solve problems with serious resonance interference effects without iteration calculations. Therefore, this method adapts to treat the MOX fuel resonance calculation problem natively. Furthermore, plutonium isotopes have fierce oscillations of total cross-section within thermal energy range, especially for 240 Pu and 242 Pu. To take thermal resonance effect of plutonium isotopes into consideration the wavelet scaling function expansion continuous-energy resonance calculation code WAVERESON is enhanced by applying the free gas scattering kernel to obtain the continuous-energy scattering source within thermal energy range (2.1 eV to 4.0 eV) contrasting against the resonance energy range in which the elastic scattering kernel is utilized. Finally, all of the calculation results of WAVERESON are compared with MCNP calculation. (authors)

  10. Electronic energy distribution function at high electron swarm energies in neon

    International Nuclear Information System (INIS)

    Brown, K.L.; Fletcher, J.

    1995-01-01

    Electron swarms moving through a gas under the influence of an applied electric field have been extensively investigated. Swarms at high energies, as measured by the ratio of the applied field to the gas number density, E/N, which are predominant in many applications have, in general, been neglected. Discharges at E/N in the range 300 0 < 133 Pa using a differentially pumped vacuum system in which the swarm electrons are extracted from the discharge and energy analysed in both a parallel plate retarded potential analyser and a cylindrical electrostatic analyser. Both pre-breakdown and post-breakdown discharges have been studied. Initial results indicate that as the discharge traverses breakdown no sudden change in the nature of the discharge occurs and that the discharge can be described by both a Monte Carlo simulation and by a Boltzmann treatment given by Phelps et al. (1987). 18 refs., 8 figs

  11. Dielectric response, functionality and energy storage in epoxy nanocomposites: Barium titanate vs exfoliated graphite nanoplatelets

    International Nuclear Information System (INIS)

    Patsidis, A.C.; Kalaitzidou, K.; Psarras, G.C.

    2012-01-01

    Barium titanate/epoxy and exfoliated graphite nanoplatelets/epoxy nanocomposites were prepared and studied varying the filler content. Morphological characteristics were examined via scanning electron microscopy, while structural changes occurring in barium titanate as a function of temperature were investigated by means of X-ray diffraction. Broadband dielectric spectroscopy was employed for determining the dielectric response of the prepared systems. Based on the conducted analysis it was found that three relaxation processes are present in the spectra of the examined materials. From the slower to the faster one, these are interfacial polarization, glass to rubber transition of the polymer matrix, and rearrangement of polar side groups of the polymer chain. Systems' functionality and energy storing efficiency were assessed in terms of dielectric reinforcing function. Finally, the energy density of all systems was evaluated. Composite systems with embedded graphite nanoplatelets exhibit higher energy storing efficiency, while thermally induced structural changes in ferroelectric particles provide functional behavior to barium titanate composites. -- Graphical abstract: Systems' functionality, electrical relaxations and energy storing efficiency were assessed in terms of dielectric permittivity, electric modulus and dielectric reinforcing function (G). Further, the energy density (U) of all systems was evaluated. Composite systems with embedded graphite nanoplatelets exhibit higher energy storing efficiency, while thermally induced structural changes in ferroelectric particles provide functional behavior to barium titanate composites. Highlights: ► Relaxation phenomena were found to be present in all studied systems. ► Two processes emanate from the polymer matrix (α-mode and β-mode). ► Systems' electrical heterogeneity gives rise to interfacial polarization. ► BaTiO 3 /epoxy composites exhibit functional behavior due to structural changes. ► x

  12. Level densities of iron isotopes and lower-energy enhancement of y-strength function

    International Nuclear Information System (INIS)

    Voinov, A V; Grimes, S M; Agvaanluvsan, U; Algin, E; Belgya, T; Brune, C R; Guttormsen, M; Hornish, M J; Massey, T N; Mitchell, G; Rekstad, J; Schiller, A; Siem, S

    2005-01-01

    The neutron spectrum from the 55 Mn(d,n) 56 Fe reaction has been measured at E d = 7 MeV. The level density of 56 Fe obtained from neutron evaporation spectrum has been compared to the level density from Oslo-type 57 Fe( 3 He, aγ) 56 Fe experiment [1]. The good agreement supports the recent results [1, 8] including an availability of a low-energy enhancement in the γ-strength function for iron isotopes. The new level density function allowed us to investigate an excitation energy dependence of this enhancement, which is shown to increase with increasing excitation energy

  13. Tailoring electron energy distribution functions through energy confinement in dual radio-frequency driven atmospheric pressure plasmas

    Energy Technology Data Exchange (ETDEWEB)

    O' Neill, C.; Waskoenig, J. [Centre for Plasma Physics, School of Maths and Physics, Queen' s University Belfast, Belfast BT7 1NN (United Kingdom); Gans, T. [Centre for Plasma Physics, School of Maths and Physics, Queen' s University Belfast, Belfast BT7 1NN (United Kingdom); York Plasma Institute, Department of Physics, University of York, York YO10 5DD (United Kingdom)

    2012-10-08

    A multi-scale numerical model based on hydrodynamic equations with semi-kinetic treatment of electrons is used to investigate the influence of dual frequency excitation on the effective electron energy distribution function (EEDF) in a radio-frequency driven atmospheric pressure plasma. It is found that variations of power density, voltage ratio, and phase relationship provide separate control over the electron density and the mean electron energy. This is exploited to directly influence both the phase dependent and time averaged effective EEDF. This enables tailoring the EEDF for enhanced control of non-equilibrium plasma chemical kinetics at ambient pressure and temperature.

  14. Analysis and optimization with ecological objective function of irreversible single resonance energy selective electron heat engines

    International Nuclear Information System (INIS)

    Zhou, Junle; Chen, Lingen; Ding, Zemin; Sun, Fengrui

    2016-01-01

    Ecological performance of a single resonance ESE heat engine with heat leakage is conducted by applying finite time thermodynamics. By introducing Nielsen function and numerical calculations, expressions about power output, efficiency, entropy generation rate and ecological objective function are derived; relationships between ecological objective function and power output, between ecological objective function and efficiency as well as between power output and efficiency are demonstrated; influences of system parameters of heat leakage, boundary energy and resonance width on the optimal performances are investigated in detail; a specific range of boundary energy is given as a compromise to make ESE heat engine system work at optimal operation regions. Comparing performance characteristics with different optimization objective functions, the significance of selecting ecological objective function as the design objective is clarified specifically: when changing the design objective from maximum power output into maximum ecological objective function, the improvement of efficiency is 4.56%, while the power output drop is only 2.68%; when changing the design objective from maximum efficiency to maximum ecological objective function, the improvement of power output is 229.13%, and the efficiency drop is only 13.53%. - Highlights: • An irreversible single resonance energy selective electron heat engine is studied. • Heat leakage between two reservoirs is considered. • Power output, efficiency and ecological objective function are derived. • Optimal performance comparison for three objective functions is carried out.

  15. Generalized Riemann zeta-function regularization and Casimir energy for a piecewise uniform string

    International Nuclear Information System (INIS)

    Li Xinzhou; Shi Xin; Zhang Jianzu.

    1990-12-01

    The generalized zeta-function techniques will be utilized to investigate the Casimir energy for the transverse oscillations of a piecewise uniform closed string. We find that zeta-function regularization method can lead straightforwardly to a correct result. (author). 6 refs

  16. Functional evolution and accumulation of technological innovation systems: the case of renewable energy in East Africa

    NARCIS (Netherlands)

    Tigabu, A.D.; Berkhout, F.G.H.; van Beukering, P.J.H.

    2015-01-01

    This paper compares the historical development of innovation systems related to biogas and improved cooking stove technologies in Rwanda and Kenya by applying the 'functions approach'. It argues that the accumulation of functions in these four renewable energy technological innovation systems (TISs)

  17. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    Science.gov (United States)

    Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

    2017-12-01

    The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

  18. Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces.

    Science.gov (United States)

    Yu, Min; Doak, Peter; Tamblyn, Isaac; Neaton, Jeffrey B

    2013-05-16

    Functional hybrid interfaces between organic molecules and semiconductors are central to many emerging information and solar energy conversion technologies. Here we demonstrate a general, empirical parameter-free approach for computing and understanding frontier orbital energies - or redox levels - of a broad class of covalently bonded organic-semiconductor surfaces. We develop this framework in the context of specific density functional theory (DFT) and many-body perturbation theory calculations, within the GW approximation, of an exemplar interface, thiophene-functionalized silicon (111). Through detailed calculations taking into account structural and binding energetics of mixed-monolayers consisting of both covalently attached thiophene and hydrogen, chlorine, methyl, and other passivating groups, we quantify the impact of coverage, nonlocal polarization, and interface dipole effects on the alignment of the thiophene frontier orbital energies with the silicon band edges. For thiophene adsorbate frontier orbital energies, we observe significant corrections to standard DFT (∼1 eV), including large nonlocal electrostatic polarization effects (∼1.6 eV). Importantly, both results can be rationalized from knowledge of the electronic structure of the isolated thiophene molecule and silicon substrate systems. Silicon band edge energies are predicted to vary by more than 2.5 eV, while molecular orbital energies stay similar, with the different functional groups studied, suggesting the prospect of tuning energy alignment over a wide range for photoelectrochemistry and other applications.

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

    International Nuclear Information System (INIS)

    Zhang Benwei; Wang, Enke; Wang Xinnian

    2005-01-01

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

  20. Estimation of bone Calcium-to-Phosphorous mass ratio using dual-energy nonlinear polynomial functions

    International Nuclear Information System (INIS)

    Sotiropoulou, P; Koukou, V; Martini, N; Nikiforidis, G; Michail, C; Kandarakis, I; Fountos, G; Kounadi, E

    2015-01-01

    In this study an analytical approximation of dual-energy inverse functions is presented for the estimation of the calcium-to-phosphorous (Ca/P) mass ratio, which is a crucial parameter in bone health. Bone quality could be examined by the X-ray dual-energy method (XDEM), in terms of bone tissue material properties. Low- and high-energy, log- intensity measurements were combined by using a nonlinear function, to cancel out the soft tissue structures and generate the dual energy bone Ca/P mass ratio. The dual-energy simulated data were obtained using variable Ca and PO 4 thicknesses on a fixed total tissue thickness. The XDEM simulations were based on a bone phantom. Inverse fitting functions with least-squares estimation were used to obtain the fitting coefficients and to calculate the thickness of each material. The examined inverse mapping functions were linear, quadratic, and cubic. For every thickness, the nonlinear quadratic function provided the optimal fitting accuracy while requiring relative few terms. The dual-energy method, simulated in this work could be used to quantify bone Ca/P mass ratio with photon-counting detectors. (paper)

  1. Correlation Functions of the Energy Momentum Tensor on Spaces of Constant Curvature

    CERN Document Server

    Osborn, H

    2000-01-01

    An analysis of one and two point functions of the energy momentum tensor on homogeneous spaces of constant curvature is undertaken. The possibility of proving a c-theorem in this framework is discussed, in particular in relation to the coefficients c,a, which appear in the energy momentum tensor trace on general curved backgrounds in four dimensions. Ward identities relating the correlation functions are derived and explicit expressions are obtained for free scalar, spinor field theories in general dimensions and also free vector fields in dimension four. A natural geometric formalism which is independent of any choice of coordinates is used and the role of conformal symmetries on such constant curvature spaces is analysed. The results are shown to be constrained by the operator product expansion. For negative curvature the spectral representation, involving unitary positive energy representations of $O(d-1,2)$, for two point functions of vector currents is derived in detail and extended to the energy momentu...

  2. Full Waveform Inversion Using an Energy-Based Objective Function with Efficient Calculation of the Gradient

    KAUST Repository

    Choi, Yun Seok

    2017-05-26

    Full waveform inversion (FWI) using an energy-based objective function has the potential to provide long wavelength model information even without low frequency in the data. However, without the back-propagation method (adjoint-state method), its implementation is impractical for the model size of general seismic survey. We derive the gradient of the energy-based objective function using the back-propagation method to make its FWI feasible. We also raise the energy signal to the power of a small positive number to properly handle the energy signal imbalance as a function of offset. Examples demonstrate that the proposed FWI algorithm provides a convergent long wavelength structure model even without low-frequency information, which can be used as a good starting model for the subsequent conventional FWI.

  3. Casimir energies in M4≥/sup N/ for even N. Green's-function and zeta-function techniques

    International Nuclear Information System (INIS)

    Kantowski, R.; Milton, K.A.

    1987-01-01

    The Green's-function technique developed in the first paper in this series is generalized to apply to massive scalar, vector, second-order tensor, and Dirac spinor fields, as a preliminary to a full graviton calculation. The Casimir energies are of the form u/sub Casimir/ = (1/a 4 )[α/sub N/lna/b)+β/sub N/], where N (even) is the dimension of the internal sphere, a is its radius, and b/sup -1/ is an ultraviolet cutoff (presumably at the Planck scale). The coefficient of the divergent logarithm, α/sub N/, is unambiguously obtained for each field considered. The Green's-function technique gives rise to no difficulties in the evaluation of imaginary-mass-mode contributions to the Casimir energy. In addition, a new, simplified zeta-function technique is presented which is very easily implemented by symbolic programs, and which, of course, gives the same results. An error in a previous zeta-function calculation of the Casimir energy for even N is pointed out

  4. Correlation functions of the energy-momentum tensor in SU(2) gauge theory at finite temperature

    DEFF Research Database (Denmark)

    Huebner, K.; Karsch, F.; Pica, Claudio

    2008-01-01

    We calculate correlation functions of the energy-momentum tensor in the vicinity of the deconfinement phase transition of (3+1)-dimensional SU(2) gauge theory and discuss their critical behavior in the vicinity of the second order deconfinement transition. We show that correlation functions...... of the trace of the energy momentum tensor diverge uniformly at the critical point in proportion to the specific heat singularity. Correlation functions of the pressure, on the other hand, stay finite at the critical point. We discuss the consequences of these findings for the analysis of transport...... coefficients, in particular the bulk viscosity, in the vicinity of a second order phase transition point....

  5. Replacing leads by self-energies using non-equilibrium Green's functions

    International Nuclear Information System (INIS)

    Michael, Fredrick; Johnson, M.D.

    2003-01-01

    Open quantum systems consist of semi-infinite leads which transport electrons to and from the device of interest. We show here that within the non-equilibrium Green's function technique for continuum systems, the leads can be replaced by simple c-number self-energies. Our starting point is an approach for continuum systems developed by Feuchtwang. The reformulation developed here is simpler to understand and carry out than the somewhat unwieldly manipulations typical in the Feuchtwang method. The self-energies turn out to have a limited variability: the retarded self-energy Σ r depends on the arbitrary choice of internal boundary conditions, but the non-equilibrium self-energy or scattering function Σ which determines transport is invariant for a broad class of boundary conditions. Expressed in terms of these self-energies, continuum non-equilibrium transport calculations take a particularly simple form similar to that developed for discrete systems

  6. Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima.

    Science.gov (United States)

    Oferkin, Igor V; Katkova, Ekaterina V; Sulimov, Alexey V; Kutov, Danil C; Sobolev, Sergey I; Voevodin, Vladimir V; Sulimov, Vladimir B

    2015-01-01

    The adequate choice of the docking target function impacts the accuracy of the ligand positioning as well as the accuracy of the protein-ligand binding energy calculation. To evaluate a docking target function we compared positions of its minima with the experimentally known pose of the ligand in the protein active site. We evaluated five docking target functions based on either the MMFF94 force field or the PM7 quantum-chemical method with or without implicit solvent models: PCM, COSMO, and SGB. Each function was tested on the same set of 16 protein-ligand complexes. For exhaustive low-energy minima search the novel MPI parallelized docking program FLM and large supercomputer resources were used. Protein-ligand binding energies calculated using low-energy minima were compared with experimental values. It was demonstrated that the docking target function on the base of the MMFF94 force field in vacuo can be used for discovery of native or near native ligand positions by finding the low-energy local minima spectrum of the target function. The importance of solute-solvent interaction for the correct ligand positioning is demonstrated. It is shown that docking accuracy can be improved by replacement of the MMFF94 force field by the new semiempirical quantum-chemical PM7 method.

  7. Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima

    Directory of Open Access Journals (Sweden)

    Igor V. Oferkin

    2015-01-01

    Full Text Available The adequate choice of the docking target function impacts the accuracy of the ligand positioning as well as the accuracy of the protein-ligand binding energy calculation. To evaluate a docking target function we compared positions of its minima with the experimentally known pose of the ligand in the protein active site. We evaluated five docking target functions based on either the MMFF94 force field or the PM7 quantum-chemical method with or without implicit solvent models: PCM, COSMO, and SGB. Each function was tested on the same set of 16 protein-ligand complexes. For exhaustive low-energy minima search the novel MPI parallelized docking program FLM and large supercomputer resources were used. Protein-ligand binding energies calculated using low-energy minima were compared with experimental values. It was demonstrated that the docking target function on the base of the MMFF94 force field in vacuo can be used for discovery of native or near native ligand positions by finding the low-energy local minima spectrum of the target function. The importance of solute-solvent interaction for the correct ligand positioning is demonstrated. It is shown that docking accuracy can be improved by replacement of the MMFF94 force field by the new semiempirical quantum-chemical PM7 method.

  8. Reconstruction of the electron energy distribution function from probe characteristics at intermediate and high pressures

    International Nuclear Information System (INIS)

    Arslanbekov, R.R.; Kolokolov, N.B.; Kudryavtsev, A.A.; Khromov, N.A.

    1991-01-01

    Gorbunov et al. have developed a kinetic theory of the electron current drawn by a probe, which substantially extends the region of applicability of the probe method for determining the electron energy distribution function, enabling probes to be used for intermediate and high pressures (up to p ≤ 0.5 atm for monatomic gases). They showed that for λ var-epsilon >> a + d (where a is the probe radius, d is the sheath thickness, and λ var-epsilon is the electron energy relaxation length) the current density j e (V) drawn by the probe is related to the unperturbed distribution function by an integral equation involving the distribution function. The kernal of the integral equation can be written as a function of the diffusion parameter. In the present paper the method of quadrature sums is employed in order to obtain the electron energy distribution function from probe characteristics at intermediate and high pressures. This technique enables them to recover the distribution function from the integral equation when the diffusion parameter has an arbitrary energy dependence ψ 0 (var-epsilon) in any given energy range. The effectiveness of the method is demonstrated by application to both model problems and experimental data

  9. An Energy-Based Limit State Function for Estimation of Structural Reliability in Shock Environments

    Directory of Open Access Journals (Sweden)

    Michael A. Guthrie

    2013-01-01

    Full Text Available limit state function is developed for the estimation of structural reliability in shock environments. This limit state function uses peak modal strain energies to characterize environmental severity and modal strain energies at failure to characterize the structural capacity. The Hasofer-Lind reliability index is briefly reviewed and its computation for the energy-based limit state function is discussed. Applications to two degree of freedom mass-spring systems and to a simple finite element model are considered. For these examples, computation of the reliability index requires little effort beyond a modal analysis, but still accounts for relevant uncertainties in both the structure and environment. For both examples, the reliability index is observed to agree well with the results of Monte Carlo analysis. In situations where fast, qualitative comparison of several candidate designs is required, the reliability index based on the proposed limit state function provides an attractive metric which can be used to compare and control reliability.

  10. The effect of work function changes on secondary ion energy spectra

    International Nuclear Information System (INIS)

    Wittmaack, K.

    1983-01-01

    The effect of work function changes on experimental secondary ion energy spectra is discussed. In agreement with theory the measured ion intensities frequently exhibit an exponential work function dependence. However, the predicted velocity dependence is only observed at fairly high secondary ion energies. In the absence of a velocity dependence of the degree of ionization measured shifts of energy spectra reflect work function changes directly. Various instrumental problems are shown to aggravate a detailed comparison between experiment and theory. Significant artefacts must be expected if the extraction field is of the order of or less than the lateral field induced by a work function difference between the bombarded spot and the surrounding sample surface. (Auth.)

  11. Energy use of US residential refrigerators and freezers. Function derivation based on household and climate characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Greenblatt, J.; Letschert, V. [Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Hopkins, A. [Vermont Department of Public Service, Burlington, VT (United States); Blasnik, M. [Blasnik Consulting, Boston, MA (United States)

    2013-02-15

    Field-metered energy use data for 1,467 refrigerators and 185 freezers from seven studies conducted between 1992 and 2010 were used to calculate usage adjustment factors (UAFs), defined as the ratio of measured to tested annual energy use. Multiple regressions of UAFs against several household and climate variables were then performed to obtain separate predictive functions for primary (most-used) refrigerators, secondary (second most-used) refrigerators, and freezers, and residual differences between observed and modeled UAFs were fit to log normal distributions. These UAF functions were used to project energy use in the more than 4,000 households in the 2005 Residential Energy Consumption Survey, a statistical representation of US homes. These energy use projections formed the basis of calculating lifecycle energy savings for more efficient refrigerators and freezers, as well as national energy and cost savings. Results were compared with previous published work by the Department of Energy, demonstrating how UAFs impact energy and cost savings. Such an approach could be further improved with additional data and adapted for other appliances in future analyses.

  12. Electromagnetic device of linear displacement

    International Nuclear Information System (INIS)

    Savary, F.; Le Saulnier, G.

    1986-01-01

    The device moves a rod integral with a nuclear reactor control element. It has a grab for the rod operated by a mobil pole drive by a coil carried by a surrounding sealed casing, a second grab with fixed and mobile poles with facing surfaces shaped to limit the variation of magnetic force with distance between them, and a plunger driven by a coil to bear against another mobile pole moved by a coil. The invention proposes a device ensuring a displacement while the impact forces at the different level of the mechanism are reduced [fr

  13. Degenerate RS perturbation theory. [Rayleigh-Schroedinger energies and wave functions

    Science.gov (United States)

    Hirschfelder, J. O.; Certain, P. R.

    1974-01-01

    A concise, systematic procedure is given for determining the Rayleigh-Schroedinger energies and wave functions of degenerate states to arbitrarily high orders even when the degeneracies of the various states are resolved in arbitrary orders. The procedure is expressed in terms of an iterative cycle in which the energy through the (2n + 1)-th order is expressed in terms of the partially determined wave function through the n-th order. Both a direct and an operator derivation are given. The two approaches are equivalent and can be transcribed into each other. The direct approach deals with the wave functions (without the use of formal operators) and has the advantage that it resembles the usual treatment of nondegenerate perturbations and maintains close contact with the basic physics. In the operator approach, the wave functions are expressed in terms of infinite-order operators which are determined by the successive resolution of the space of the zeroth-order functions.

  14. Computational fluid dynamics modelling of displacement natural ventilation.

    OpenAIRE

    Ji, Yingchun

    2005-01-01

    Natural ventilation is widely recognised as contributing towards low-energy building design. The requirement to reduce energy usage in new buildings has rejuvenated interest in natural ventilation. This thesis deals with computer modelling of natural displacement ventilation driven either by buoyancy or buoyancy combined with wind forces. Two benchmarks have been developed using computational fluid dynamics (CFD) in order to evaluate the accuracy with which CFD is able to mo...

  15. On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory

    International Nuclear Information System (INIS)

    Sergeev, Alexey; Jovanovic, Raka; Kais, Sabre; Alharbi, Fahhad H

    2016-01-01

    We consider the density of a fermionic system as a functional of the potential, in one-dimensional case, where it is approximated by the Thomas–Fermi term plus semiclassical corrections through the gradient expansion. We compare this asymptotic series with the exact answer for the case of the harmonic oscillator and the Morse potential. It is found that the leading (Thomas–Fermi) term is in agreement with the exact density, but the subdominant term does not agree in terms of the asymptotic behavior because of the presence of oscillations in the exact density, but their absence in the gradient expansion. However, after regularization of the density by convolution with a Gaussian, the agreement can be established even in the subdominant term. Moreover, it is found that the expansion is always divergent, and its terms grow proportionally to the factorial function of the order, similar to the well-known divergence of perturbation series in field theory and the quantum anharmonic oscillator. Padé–Hermite approximants allow summation of the series, and one of the branches of the approximants agrees with the density. (paper)

  16. Hypothalamus-pituitary-thyroid axis activity and function of cardiac muscle in energy deficit

    Directory of Open Access Journals (Sweden)

    Katarzyna Lachowicz

    2017-12-01

    Full Text Available Frequently repeated statement that energy restriction is a factor that improves cardiovascular system function seems to be not fully truth. Low energy intake modifies the hypothalamus-pituitary-thyroid axis activity and thyroid hormone peripheral metabolism. Thyroid hormones, as modulators of the expression and activity of many cardiomyocyte proteins, control heart function. Decreased thyroid hormone levels and their disturbanced conversion and action result in alternation of cardiac remodeling, disorder of calcium homeostasis and diminish myocardial contractility. This review provides a summary of the current state of knowledge about the mechanisms of energy restriction effects on thyroidal axis activity, thyroid hormone peripheral metabolism and action in target tissues, especially in cardiac myocytes. We also showed the existence of energy restriction-thyroid-heart pathway.

  17. Low-energy ion distribution functions on a magnetically quiet day at geostationary altitude /L = 7/

    Science.gov (United States)

    Singh, N.; Raitt, W. J.; Yasuhara, F.

    1982-01-01

    Ion energy and pitch angle distribution functions are examined for a magnetically quiet day using averaged data from ATS 6. For both field-aligned and perpendicular fluxes, the populations have a mixture of characteristic energies, and the distribution functions can be fairly well approximated by Maxwellian distributions over three different energy bands in the range 3-600 eV. Pitch angle distributions varying with local time, and energy distributions are used to compute total ion density. Pitch angle scattering mechanisms responsible for the observed transformation of pitch angle distribution are examined, and it is found that a magnetic noise of a certain power spectral density belonging to the electromagnetic ion cyclotron mode near the ion cyclotron frequency can be effective in trapping the field aligned fluxes by pitch angle scattering.

  18. Displaced vertex searches for sterile neutrinos at future lepton colliders

    Energy Technology Data Exchange (ETDEWEB)

    Antusch, Stefan [Department of Physics, University of Basel, Klingelbergstr. 82, CH-4056 Basel (Switzerland); Max-Planck-Institut für Physik (Werner-Heisenberg-Institut),Föhringer Ring 6, D-80805 München (Germany); Cazzato, Eros; Fischer, Oliver [Department of Physics, University of Basel, Klingelbergstr. 82, CH-4056 Basel (Switzerland)

    2016-12-02

    We investigate the sensitivity of future lepton colliders to displaced vertices from the decays of long-lived heavy (almost sterile) neutrinos with electroweak scale masses and detectable time of flight. As future lepton colliders we consider the FCC-ee, the CEPC, and the ILC, searching at the Z-pole and at the center-of-mass energies of 240, 350 and 500 GeV. For a realistic discussion of the detector response to the displaced vertex signal and the Standard Model background we consider the ILC’s Silicon Detector (SiD) as benchmark for the future lepton collider detectors. We find that displaced vertices constitute a powerful search channel for sterile neutrinos, sensitive to squared active-sterile mixing angles as small as 10{sup −11}.

  19. Reconstructing particle masses in events with displaced vertices

    Science.gov (United States)

    Cottin, Giovanna

    2018-03-01

    We propose a simple way to extract particle masses given a displaced vertex signature in event topologies where two long-lived mother particles decay to visible particles and an invisible daughter. The mother could be either charged or neutral and the neutral daughter could correspond to a dark matter particle in different models. The method allows to extract the parent and daughter masses by using on-shell conditions and energy-momentum conservation, in addition to the displaced decay positions of the parents, which allows to solve the kinematic equations fully on an event-by-event basis. We show the validity of the method by means of simulations including detector effects. If displaced events are seen in discovery searches at the Large Hadron Collider (LHC), this technique can be applied.

  20. Structure and potential energy function investigation on UH and UH2 molecules

    International Nuclear Information System (INIS)

    Luo Deli; Liu Xiaoya; Jiang Gang; Meng Daqiao; Zhu Zhenghe

    2001-01-01

    Density functional (B3LYP) method with Relativistic Effective Core Potential (RECP) have been used to optimize the structures and to calculate the potential energy function both for the ground and excited states of UH and UH 2 molecules. Results show that the ground state of UH and UH 2 molecules are X 4 II and X 3 A 2 , which belongs to C2v symmetry, and the disassociation energies are 2.886 eV and 5.249 ev respectively, and the spectral data of UH and UH 2 have also been derived both for the ground and excited state. The potential energy function of UH and UH 2 have been derived based on normal equation fitting method and the many-body expansion theory. The information is useful to mechanism analysis of the aging effect of the hydrogen storage material

  1. Energy level alignment and quantum conductance of functionalized metal-molecule junctions

    DEFF Research Database (Denmark)

    Jin, Chengjun; Strange, Mikkel; Markussen, Troels

    2013-01-01

    We study the effect of functional groups (CH3*4, OCH3, CH3, Cl, CN, F*4) on the electronic transport properties of 1,4-benzenediamine molecular junctions using the non-equilibrium Green function method. Exchange and correlation effects are included at various levels of theory, namely density...... functional theory (DFT), energy level-corrected DFT (DFT+Σ), Hartree-Fock and the many-body GW approximation. All methods reproduce the expected trends for the energy of the frontier orbitals according to the electron donating or withdrawing character of the substituent group. However, only the GW method...... predicts the correct ordering of the conductance amongst the molecules. The absolute GW (DFT) conductance is within a factor of two (three) of the experimental values. Correcting the DFT orbital energies by a simple physically motivated scissors operator, Σ, can bring the DFT conductances close...

  2. Study of the electron energy distribution function in plasma produced by a rf discharge in a mixture of inert gases

    International Nuclear Information System (INIS)

    Vagner, S.D.; Ignat'ev, B.K.

    1983-01-01

    Electron energy distribution functions (EEDF) are recorded in an rf discharge in a mixture of neon and argon. The rates of different ionization processes and the energy losses of the electrons in the bulk of the discharge are calculated. The experimentally recorded electron energy distribution functions are compared with distributions calculated using a nonlocal theory. The effect of an rf voltage in the probe circuit on the recorded electron energy distribution functions is investigated experimentally

  3. Systematic studies of binding energy dependence of neutron-proton momentum correlation function

    International Nuclear Information System (INIS)

    Wei, Y B; Ma, Y G; Shen, W Q; Ma, G L; Wang, K; Cai, X Z; Zhong, C; Guo, W; Chen, J G; Fang, D Q; Tian, W D; Zhou, X F

    2004-01-01

    Hanbury Brown-Twiss (HBT) results of the neutron-proton correlation function have been systematically investigated for a series of nuclear reactions with light projectiles with the help of the isospin-dependent quantum molecular dynamics model. The relationship between the binding energy per nucleon of the projectiles and the strength of the neutron-proton HBT at small relative momentum has been obtained. Results show that neutron-proton HBT results are sensitive to the binding energy per nucleon

  4. On Displacement Height, from Classical to Practical Formulation: Stress, Turbulent Transport and Vorticity Considerations

    DEFF Research Database (Denmark)

    Sogachev, Andrey; Kelly, Mark C.

    2016-01-01

    conditions. The new formulations tend to produce smaller d than stress-based forms, falling closer to the classic logarithmically-defined displacement height. The new, more generally defined, displacement height appears to be more compatible with profiles of components of the turbulent kinetic energy budget...

  5. 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)

  6. A method for ion distribution function evaluation using escaping neutral atom kinetic energy samples

    International Nuclear Information System (INIS)

    Goncharov, P.R.; Ozaki, T.; Veshchev, E.A.; Sudo, S.

    2008-01-01

    A reliable method to evaluate the probability density function for escaping atom kinetic energies is required for the analysis of neutral particle diagnostic data used to study the fast ion distribution function in fusion plasmas. Digital processing of solid state detector signals is proposed in this paper as an improvement of the simple histogram approach. Probability density function for kinetic energies of neutral particles escaping from the plasma has been derived in a general form taking into account the plasma ion energy distribution, electron capture and loss rates, superposition along the diagnostic sight line and the magnetic surface geometry. A pseudorandom number generator has been realized that enables a sample of escaping neutral particle energies to be simulated for given plasma parameters and experimental conditions. Empirical probability density estimation code has been developed and tested to reconstruct the probability density function from simulated samples assuming. Maxwellian and classical slowing down plasma ion energy distribution shapes for different temperatures and different slowing down times. The application of the developed probability density estimation code to the analysis of experimental data obtained by the novel Angular-Resolved Multi-Sightline Neutral Particle Analyzer has been studied to obtain the suprathermal particle distributions. The optimum bandwidth parameter selection algorithm has also been realized. (author)

  7. Hydrodynamic Excitation Forces on Floating Structures with Finite Displacements

    DEFF Research Database (Denmark)

    Andersen, Morten Thøtt; Nielsen, Søren R. K.

    2015-01-01

    excitation force is solely a function of time, hence the body is fixed in reference to the wave field. In this paper, the instantaneous position of the body is included in the calculation of the excitation force. Even though the displacement of the structure relative to a characteristic wavelength...

  8. Threading the Needle: Intrapelvic Displacement of a Femoral Neck Fracture through the Obturator Foramen

    Directory of Open Access Journals (Sweden)

    Gautham Prabhakar

    2018-01-01

    Full Text Available Despite timely and appropriate management, displaced femoral neck fractures are often devastating injuries for the young patient. The risk of negative sequelae is further amplified with increasing displacement and vertical fracture patterns. Open anatomic reduction with rigid internal fixation is essential to maximize the healing potential in displaced fractures of the femoral neck. Successful primary osteosynthesis of significantly displaced femoral neck fractures in the young patient has been reported in the literature. We present a unique case of open reduction and internal fixation of a high-energy femoral neck fracture with extrusion of the head through the obturator foramen into the pelvis without associated acetabular or pelvic injury.

  9. Optimisation of energy absorbing liner for equestrian helmets. Part II: Functionally graded foam liner

    International Nuclear Information System (INIS)

    Cui, L.; Forero Rueda, M.A.; Gilchrist, M.D.

    2009-01-01

    The energy absorbing liner of safety helmets was optimised using finite element modelling. In this present paper, a functionally graded foam (FGF) liner was modelled, while keeping the average liner density the same as in a corresponding reference single uniform density liner model. Use of a functionally graded foam liner would eliminate issues regarding delamination and crack propagation between interfaces of different density layers which could arise in liners with discrete density variations. As in our companion Part I paper [Forero Rueda MA, Cui L, Gilchrist MD. Optimisation of energy absorbing liner for equestrian helmets. Part I: Layered foam liner. Mater Des [submitted for publication

  10. Correlation functions of the energy-momentum tensor on spaces of constant curvature

    International Nuclear Information System (INIS)

    Osborn, H.; Shore, G.M.

    2000-01-01

    An analysis of one- and two-point functions of the energy-momentum tensor on homogeneous spaces of constant curvature is undertaken. The possibility of proving a c-theorem in this framework is discussed, in particular in relation to the coefficients c,a, which appear in the energy-momentum tensor trace on general curved backgrounds in four dimensions. Ward identities relating the correlation functions are derived and explicit expressions are obtained for free scalar, spinor field theories in general dimensions and also free vector fields in dimension four. A natural geometric formalism which is independent of any choice of coordinates is used and the role of conformal symmetries on such constant curvature spaces is analysed. The results are shown to be constrained by the operator product expansion. For negative curvature the spectral representation, involving unitary positive energy representations of O(d-1,2), for two-point functions of vector currents is derived in detail and extended to the energy-momentum tensor by analogy. It is demonstrated that, at non-coincident points, the two-point functions are not related to a in any direct fashion and there is no straightforward demonstration obtainable in this framework of irreversibility under renormalisation group flow of any function of the couplings for four-dimensional field theories which reduces to a at fixed points

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

    International Nuclear Information System (INIS)

    2003-01-01

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

  12. Accurate Energies and Structures for Large Water Clusters Using the X3LYP Hybrid Density Functional

    OpenAIRE

    Su, Julius T.; Xu, Xin; Goddard, William A., III

    2004-01-01

    We predict structures and energies of water clusters containing up to 19 waters with X3LYP, an extended hybrid density functional designed to describe noncovalently bound systems as accurately as covalent systems. Our work establishes X3LYP as the most practical ab initio method today for calculating accurate water cluster structures and energies. We compare X3LYP/aug-cc-pVTZ energies to the most accurate theoretical values available (n = 2−6, 8), MP2 with basis set superposition error (BSSE)...

  13. Complex-energy approach to sum rules within nuclear density functional theory

    Science.gov (United States)

    Hinohara, Nobuo; Kortelainen, Markus; Nazarewicz, Witold; Olsen, Erik

    2015-04-01

    Background: The linear response of the nucleus to an external field contains unique information about the effective interaction, the correlations governing the behavior of the many-body system, and the properties of its excited states. To characterize the response, it is useful to use its energy-weighted moments, or sum rules. By comparing computed sum rules with experimental values, the information content of the response can be utilized in the optimization process of the nuclear Hamiltonian or the nuclear energy density functional (EDF). But the additional information comes at a price: compared to the ground state, computation of excited states is more demanding. Purpose: To establish an efficient framework to compute energy-weighted sum rules of the response that is adaptable to the optimization of the nuclear EDF and large-scale surveys of collective strength, we have developed a new technique within the complex-energy finite-amplitude method (FAM) based on the quasiparticle random-phase approximation (QRPA). Methods: To compute sum rules, we carry out contour integration of the response function in the complex-energy plane. We benchmark our results against the conventional matrix formulation of the QRPA theory, the Thouless theorem for the energy-weighted sum rule, and the dielectric theorem for the inverse-energy-weighted sum rule. Results: We derive the sum-rule expressions from the contour integration of the complex-energy FAM. We demonstrate that calculated sum-rule values agree with those obtained from the matrix formulation of the QRPA. We also discuss the applicability of both the Thouless theorem about the energy-weighted sum rule and the dielectric theorem for the inverse-energy-weighted sum rule to nuclear density functional theory in cases when the EDF is not based on a Hamiltonian. Conclusions: The proposed sum-rule technique based on the complex-energy FAM is a tool of choice when optimizing effective interactions or energy functionals. The method

  14. Research on energy-saving effect of technological progress based on Cobb-Douglas production function

    International Nuclear Information System (INIS)

    Yuan Chaoqing; Liu Sifeng; Wu Junlong

    2009-01-01

    Energy issues receive more and more attention these days. And it is considered that technological progress is an essential approach to save energy. This essay is to analyze the relation between energy intensity and technological progress by Cobb-Douglas production function in which energy, labor, capital and technological progress are taken as independent variables. It proves that the growth of output per capital and output per labor will increase energy intensity while technological progress will decrease energy intensity. Empirical research on Chinese industry is used here to indicate technological progress greatly decreases energy intensity. Because of the interferences of Asian financial crisis, there is something abnormal in the data. So in the empirical research, average weaken buffer operator (ABWO) is applied to weaken the interference of Asian financial crisis to the fixed assets, energy and value added. The results of the empirical research show that technological progress decreases energy intensity of Chinese industry an average of 6.3% every year in China.

  15. Traumatic corneal flap displacement after laser in situ keratomileusis (LASIK).

    Science.gov (United States)

    Tsai, Tsung-Han; Peng, Kai-Ling; Lin, Chien-Jen

    2017-01-01

    Laser in situ keratomileusis (LASIK) is the most common and popular procedure performed for the correction of refractive errors in the last two decades. We report a case of traumatic flap displacement with flap folding which occurred 3 years after LASIK was performed. Previous literature suggests that vision prognosis would be closely related to proper and prompt management of traumatic flap displacement with flap folding 3 years after LASIK. A 23-year-old female presented to our hospital who had undergone uneventful LASIK in both eyes 3 years prior. Unfortunately, she had suffered a blunt trauma in her right eye in a car accident. A late onset of corneal flap displacement was found with upper and lower portion of the flap being folded inside the corneal bed. Surgical intervention for debridement with subsequent reposition of corneal flap was performed as soon as possible in the operating room. A bandage contact lens was placed, and topical antibiotic and corticosteroids were given postoperatively. Two days after the operation, the displaced corneal flap was found to be well attached smoothly on the corneal bed without folds. The best-corrected visual acuity was 6/6 with refraction of -0.75 D to 1.0 D ×175° in her right eye 1 month later. We reviewed a total of 19 published cases of late-onset traumatic flap dislocations or displacements after LASIK with complete data from 2000 to 2014. Traumatic displacement of corneal flaps after LASIK may occur after blunt injury with specific direction of force to the flap margin, especially tangential one. According to the previous literature, late-onset traumatic flap displacement may happen at any time after LASIK and be caused by various types of injuries. Fortunately, good visual function could mostly be restored with immediate and proper management.

  16. Edge corrections to electromagnetic Casimir energies from general-purpose Mathieu-function routines

    Science.gov (United States)

    Blose, Elizabeth Noelle; Ghimire, Biswash; Graham, Noah; Stratton-Smith, Jeremy

    2015-01-01

    Scattering theory methods make it possible to calculate the Casimir energy of a perfectly conducting elliptic cylinder opposite a perfectly conducting plane in terms of Mathieu functions. In the limit of zero radius, the elliptic cylinder becomes a finite-width strip, which allows for the study of edge effects. However, existing packages for computing Mathieu functions are insufficient for this calculation because none can compute Mathieu functions of both the first and second kind for complex arguments. To address this shortcoming, we have written a general-purpose Mathieu-function package, based on algorithms developed by Alhargan. We use these routines to find edge corrections to the proximity force approximation for the Casimir energy of a perfectly conducting strip opposite a perfectly conducting plane.

  17. Model etch profiles for ion energy distribution functions in an inductively coupled plasma reactor

    International Nuclear Information System (INIS)

    Chen, W.; Abraham-Shrauner, B.; Woodworth, J.R.

    1999-01-01

    Rectangular trench profiles are modeled with analytic etch rates determined from measured ion distribution functions. The pattern transfer step for this plasma etch is for trilayer lithography. Argon and chlorine angular ion energy distribution functions measured by a spherical collector ring analyzer are fit to a sum of drifting Maxwellian velocity distribution functions with anisotropic temperatures. The fit of the model ion distribution functions by a simulated annealing optimization procedure converges adequately for only two drifting Maxwellians. The etch rates are proportional to analytic expressions for the ion energy flux. Numerical computation of the etch profiles by integration of the characteristic equations for profile points and connection of the profiles points is efficient. copyright 1999 American Vacuum Society

  18. Current Density and Plasma Displacement Near Perturbed Rational Surface

    International Nuclear Information System (INIS)

    Boozer, A.H.; Pomphrey, N.

    2010-01-01

    The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement.

  19. SPS data on tunnel displacements and the ATL law

    International Nuclear Information System (INIS)

    Shiltsev, V.

    1993-09-01

    In this article we analyze data from long-term measurements of quadrupole displacements in the Super Proton Synchrotron ring at CERN. The variance of displacement can be approximated by ATL law with coefficient A = (0.1--0.4) * 10 -4 μm 2 /s/m, with T the time interval between measurements and L the distance between two points of the tunnel. The shape of the distribution function is found to be close to Gaussian. The results of the analysis are compared with other data on slow ground motion

  20. Characteristics of children with hip displacement in cerebral palsy

    Directory of Open Access Journals (Sweden)

    Wagner Philippe

    2007-10-01

    Full Text Available Abstract Background Hip dislocation in children with cerebral palsy (CP is a common and severe problem. The dislocation can be avoided, by screening and preventive treatment of children with hips at risk. The aim of this study was to analyse the characteristics of children with CP who develop hip displacement, in order to optimise a hip surveillance programme. Methods In a total population of children with CP a standardised clinical and radiological follow-up of the hips was carried out as a part of a hip prevention programme. The present study is based on 212 children followed until 9–16 years of age. Results Of the 212 children, 38 (18% developed displacement with Migration Percentage (MP >40% and further 19 (9% MP between 33 and 39%. Mean age at first registration of hip displacement was 4 years, but some hips showed MP > 40% already at two years of age. The passive range of hip motion at the time of first registration of hip displacement did not differ significantly from the findings in hips without displacement. The risk of hip displacement varied according to CP-subtype, from 0% in children with pure ataxia to 79% in children with spastic tetraplegia. The risk of displacement (MP > 40% was directly related to the level of gross motor function, classified according to the gross motor function classification system, GMFCS, from 0% in children in GMFCS level I to 64% in GMFCS level V. Conclusion Hip displacement in CP often occurs already at 2–3 years of age. Range of motion is a poor indicator of hips at risk. Thus early identification and early radiographic examination of children at risk is of great importance. The risk of hip displacement varies according to both CP-subtype and GMFCS. It is sometimes not possible to determine subtype before 4 years of age, and at present several definitions and classification systems are used. GMFCS is valid and reliable from 2 years of age, and it is internationally accepted. We recommend a hip

  1. Phase field theory of proper displacive phase transformations: Structural anisotropy and directional flexibility, a vector model, and the transformation kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Rao Weifeng [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ 08854 (United States); Khachaturyan, Armen G., E-mail: khach@jove.rutgers.edu [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ 08854 (United States)

    2011-06-15

    A phase field theory of proper displacive transformations is developed to address the microstructure evolution and its response to applied fields in decomposing and martensitic systems. The theory is based on the explicit equation for the non-equilibrium free energy function of the transformation strain obtained by a consistent separation of the total strain into transformation and elastic strains. The transformation strain is considered to be a relaxing long-range order parameter evolving in accordance with the system energetics rather than as a fixed material constant used in the conventional Eshelby theory of coherent inclusions. The elastic strain is defined as a coherency strain recovering the crystal lattice compatibility. The obtained free energy function of the transformation strain leads to the concepts of structural anisotropy and directional flexibility of low symmetry phases. The formulated vector model of displacive transformation makes apparent a similarity between proper displacive transformation and ferromagnetic/ferroelectric transformation and, in particular, a similarity between the structural anisotropy and magnetic/polar anisotropy of ferromagnetic/ferroelectric materials. It even predicts the feasibility of a glass-like structural state with unlimited directional flexibility of the transformation strain that is conceptually similar to a ferromagnetic glass. The thermodynamics of the equilibrium between low symmetry phases and the thermodynamic conditions leading to the formation of adaptive states are formulated.

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

    International Nuclear Information System (INIS)

    Hinterberher, F.

    1996-01-01

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

  3. MD simulation of atomic displacement cascades in Fe-10 at.%Cr binary alloy

    International Nuclear Information System (INIS)

    Tikhonchev, M.; Svetukhin, V.; Kadochkin, A.; Gaganidze, E.

    2009-01-01

    Molecular dynamics simulation of atomic displacement cascades up to 20 keV has been performed in Fe-10 at.%Cr binary alloy at a temperature of 600 K. The N-body interatomic potentials of Finnis-Sinclair type were used. According to the obtained results the dependence of 'surviving' defects amount is well approximated by power function that coincides with other researchers' results. Obtained cascade efficiency for damage energy in the range from 10 to 20 keV is ∼0.2 NRT that is slightly higher than for pure α-Fe. In post-cascade area Cr fraction in interstitials is in range 2-5% that is essentially lower than Cr content in the base alloy. The results on size and amount of vacancy and interstitial clusters generated in displacement cascades are obtained. For energies of 2 keV and higher the defect cluster average size increases and it is well approximated by a linear dependence on cascade energy both for interstitials and vacancies.

  4. MD simulation of atomic displacement cascades in Fe-10 at.%Cr binary alloy

    Energy Technology Data Exchange (ETDEWEB)

    Tikhonchev, M., E-mail: tikhonchev@sv.ulsu.r [Ulyanovsk State University, Leo Tolstoy Str., 42, Ulyanovsk 432970 (Russian Federation); Joint Stock Company, ' State Scientific Center Research Institute of Atomic Reactors' , 433510 Dimitrovgrad-10 (Russian Federation); Svetukhin, V.; Kadochkin, A. [Ulyanovsk State University, Leo Tolstoy Str., 42, Ulyanovsk 432970 (Russian Federation); Gaganidze, E. [Forschungszentrum Karlsruhe, IMF II, 3640, D-76021 Karlsruhe (Germany)

    2009-12-15

    Molecular dynamics simulation of atomic displacement cascades up to 20 keV has been performed in Fe-10 at.%Cr binary alloy at a temperature of 600 K. The N-body interatomic potentials of Finnis-Sinclair type were used. According to the obtained results the dependence of 'surviving' defects amount is well approximated by power function that coincides with other researchers' results. Obtained cascade efficiency for damage energy in the range from 10 to 20 keV is approx0.2 NRT that is slightly higher than for pure alpha-Fe. In post-cascade area Cr fraction in interstitials is in range 2-5% that is essentially lower than Cr content in the base alloy. The results on size and amount of vacancy and interstitial clusters generated in displacement cascades are obtained. For energies of 2 keV and higher the defect cluster average size increases and it is well approximated by a linear dependence on cascade energy both for interstitials and vacancies.

  5. Density-functional theory based on the electron distribution on the energy coordinate

    Science.gov (United States)

    Takahashi, Hideaki

    2018-03-01

    We developed an electronic density functional theory utilizing a novel electron distribution n(ɛ) as a basic variable to compute ground state energy of a system. n(ɛ) is obtained by projecting the electron density n({\\boldsymbol{r}}) defined on the space coordinate {\\boldsymbol{r}} onto the energy coordinate ɛ specified with the external potential {\\upsilon }ext}({\\boldsymbol{r}}) of interest. It was demonstrated that the Kohn-Sham equation can also be formulated with the exchange-correlation functional E xc[n(ɛ)] that employs the density n(ɛ) as an argument. It turned out an exchange functional proposed in our preliminary development suffices to describe properly the potential energies of several types of chemical bonds with comparable accuracies to the corresponding functional based on local density approximation. As a remarkable feature of the distribution n(ɛ) it inherently involves the spatially non-local information of the exchange hole at the bond dissociation limit in contrast to conventional approximate functionals. By taking advantage of this property we also developed a prototype of the static correlation functional E sc including no empirical parameters, which showed marked improvements in describing the dissociations of covalent bonds in {{{H}}}2,{{{C}}}2{{{H}}}4 and {CH}}4 molecules.

  6. Binding energy and momentum distribution of nuclear matter using Green's function methods

    International Nuclear Information System (INIS)

    Ramos, A.; Dickhoff, W.H.; Polls, A.

    1991-01-01

    The influence of hole-hole (h-h) propagation in addition to the conventional particle-particle (p-p) propagation, on the energy per particle and the momentum distribution is investigated for the v 2 central interaction which is derived from Reid's soft-core potential. The results are compared to Brueckner-Hartree-Fock calculations with a continuous choice for the single-particle (SP) spectrum. Calculation of the energy from a self-consistently determined SP spectrum leads to a lower saturation density. This result is not corroborated by calculating the energy from the hole spectral function, which is, however, not self-consistent. A generalization of previous calculations of the momentum distribution, based on a Goldstone diagram expansion, is introduced that allows the inclusion of h-h contributions to all orders. From this result an alternative calculation of the kinetic energy is obtained. In addition, a direct calculation of the potential energy is presented which is obtained from a solution of the ladder equation containing p-p and h-h propagation to all orders. These results can be considered as the contributions of selected Goldstone diagrams (including p-p and h-h terms on the same footing) to the kinetic and potential energy in which the SP energy is given by the quasiparticle energy. The results for the summation of Goldstone diagrams leads to a different momentum distribution than the one obtained from integrating the hole spectral function which in general gives less depletion of the Fermi sea. Various arguments, based partly on the results that are obtained, are put forward that a self-consistent determination of the spectral functions including the p-p and h-h ladder contributions (using a realistic interaction) will shed light on the question of nuclear saturation at a nonrelativistic level that is consistent with the observed depletion of SP orbitals in finite nuclei

  7. An Improved Optimization Function for Maximizing User Comfort with Minimum Energy Consumption in Smart Homes

    Directory of Open Access Journals (Sweden)

    Israr Ullah

    2017-11-01

    Full Text Available In the smart home environment, efficient energy management is a challenging task. Solutions are needed to achieve a high occupant comfort level with minimum energy consumption. User comfort is measured in terms of three fundamental parameters: (a thermal comfort, (b visual comfort and (c air quality. Temperature, illumination and CO 2 sensors are used to collect indoor contextual information. In this paper, we have proposed an improved optimization function to achieve maximum user comfort in the building environment with minimum energy consumption. A comprehensive formulation is done for energy optimization with detailed analysis. The Kalman filter algorithm is used to remove noise in sensor readings by predicting actual parameter values. For optimization, we have used genetic algorithm (GA and particle swarm optimization (PSO algorithms and performed comparative analysis with a baseline scheme on real data collected for a one-month duration in our lab’s indoor environment. Experimental results show that the proposed optimization function has achieved a 27 . 32 % and a 31 . 42 % reduction in energy consumption with PSO and GA, respectively. The user comfort index was also improved by 10 % i.e., from 0 . 86 to 0 . 96 . GA-based optimization results were better than PSO, as it has achieved almost the same user comfort with 4 . 19 % reduced energy consumption. Results show that the proposed optimization function gives better results than the baseline scheme in terms of user comfort and the amount of consumed energy. The proposed system can help with collecting the data about user preferences and energy consumption for long-term analysis and better decision making in the future for efficient resource utilization and overall profit maximization.

  8. Binding energy and momentum distribution of nuclear matter using Green's function methods

    International Nuclear Information System (INIS)

    Ramos, A.; Dickhoff, W.H.; Polls, A.

    1990-07-01

    The influence of hole-hole (hh) propagation in addition to the conventional particle-particle (pp) propagation on the energy per particle and the momentum distribution is investigated for two central interactions (v 2 and v 2 l=0 ) which are derived from Reid's soft core potential. The results are compared to Brueckner-Hartree-Fock calculations with a continuous choice for the single-particle (sp) spectrum. Calculation of the energy from a self-consistently determined sp spectrum leads to a lower saturation density. This result is not corroborated by calculating the energy from the hole spectral function which is, however, not self-consistent. A generalization of previous calculations of the momentum distribution based on a Goldstone diagram expansion is introduced which allows the inclusion of hh contributions to all orders. From this result an alternative calculation of the kinetic energy is obtained. In addition, a direct calculation of the potential energy is presented which is obtained from a solution of the ladder equation containing pp and hh propagation to all orders. These results can be considered as the contributions of selected Goldstone diagrams (including pp and hh terms on the same footing) to the kinetic and potential energy in which the sp energy is given by the quasi-article energy. The results for the summation of Goldstone diagrams leads to a different momentum distribution than the one obtained from integrating the hole spectral function which in general gives less depletion of the Fermi sea. Various arguments, based partly on the results that are obtained, are put forward that a self-consistent determination of the spectral functions including the pp and hh ladder contributions (using a realistic interaction) will shed light on the question of nuclear saturation at a non-relativistic level which is consistent with the observed depletion of sp orbitals in finite nuclei. (Author) (51 refs., 3 tabs., 15 figs)

  9. Shore line displacement in Oeregrundsgrepen

    International Nuclear Information System (INIS)

    Brydsten, Lars

    1999-12-01

    This report is a part of the SKB project 'SAFE' (Safety Assessment of the Final Repository of Radioactive Operational Waste). The aim of project SAFE is to update the previous safety analysis of SFR-1. The analysis is to be presented to the Swedish authorities not later than the end of 2000. SFR-1 is a facility for disposal of low and intermediate level radioactive waste and is situated in bedrock beneath the Baltic Sea, 1 km off the coast near the Forsmark nuclear power plant in Northern Uppland. The shore displacement in the Oeregrundsgrepen area is at present approximately 60 cm per 100 years and is slowly decreasing, but will still be substantial for many thousands of years. Since Oeregrundsgrepen is a relatively shallow part of the Bothnian Sea, the positive shore displacement will greatly effect the proportions of land and sea in the future. Within 2000 years (4000 AD) half of the current water area in Oeregrundsgrepen will be land and the water volume will be decreased with two thirds. At 7000 AD, the whole Oeregrundsgrepen area will be without brackish water. The effects on the landscape evolution due to shore displacement in the Oeregrundsgrepen area are illustrated in a chronological series of digital maps in Power Point format available saved on the supplied CD-rom and entitled 'Elevation.ppt '. The bedrock tectonics in the area are in two dominating directions: one northern that can be seen in the west shoreline of the island Graesoe and one in a north-westerly direction seen in the shoreline of the mainland. Many of the large basins that will be established in the area due to the shore displacement will be elongated in one of these directions. Some of the basins are relatively shallow and therefore probably will be totally filled with organic rich sediments and will form peat or bogs. Other basins, especially Graesoeraennan (the deep channel on the west side of Graesoe) are deep basins and will form a long chain of deep lakes. One of the deeper basins

  10. Shore line displacement in Oeregrundsgrepen

    Energy Technology Data Exchange (ETDEWEB)

    Brydsten, Lars [Umeaa Univ. (Sweden). Dept. of Ecology and Environmental Science

    1999-12-15

    This report is a part of the SKB project 'SAFE' (Safety Assessment of the Final Repository of Radioactive Operational Waste). The aim of project SAFE is to update the previous safety analysis of SFR-1. The analysis is to be presented to the Swedish authorities not later than the end of 2000. SFR-1 is a facility for disposal of low and intermediate level radioactive waste and is situated in bedrock beneath the Baltic Sea, 1 km off the coast near the Forsmark nuclear power plant in Northern Uppland. The shore displacement in the Oeregrundsgrepen area is at present approximately 60 cm per 100 years and is slowly decreasing, but will still be substantial for many thousands of years. Since Oeregrundsgrepen is a relatively shallow part of the Bothnian Sea, the positive shore displacement will greatly effect the proportions of land and sea in the future. Within 2000 years (4000 AD) half of the current water area in Oeregrundsgrepen will be land and the water volume will be decreased with two thirds. At 7000 AD, the whole Oeregrundsgrepen area will be without brackish water. The effects on the landscape evolution due to shore displacement in the Oeregrundsgrepen area are illustrated in a chronological series of digital maps in Power Point format available saved on the supplied CD-rom and entitled 'Elevation.ppt '. The bedrock tectonics in the area are in two dominating directions: one northern that can be seen in the west shoreline of the island Graesoe and one in a north-westerly direction seen in the shoreline of the mainland. Many of the large basins that will be established in the area due to the shore displacement will be elongated in one of these directions. Some of the basins are relatively shallow and therefore probably will be totally filled with organic rich sediments and will form peat or bogs. Other basins, especially Graesoeraennan (the deep channel on the west side of Graesoe) are deep basins and will form a long chain of deep lakes. One

  11. Primary shield displacement and bowing

    International Nuclear Information System (INIS)

    Scott, K.V.

    1978-01-01

    The reactor primary shield is constructed of high density concrete and surrounds the reactor core. The inlet, outlet and side primary shields were constructed in-place using 2.54 cm (1 in) thick steel plates as the forms. The plates remained as an integral part of the shields. The elongation of the pressure tubes due to thermal expansion and pressurization is not moving through the inlet nozzle hardware as designed but is accommodated by outward displacement and bowing of the inlet and outlet shields. Excessive distortion of the shields may result in gas seal failures, intolerable helium gas leaks, increased argon-41 emissions, and shield cooling tube failures. The shield surveillance and testing results are presented

  12. Displacement Based Seismic Design Criteria

    International Nuclear Information System (INIS)

    Costello, J.F.; Hofmayer, C.; Park, Y.J.

    1999-01-01

    The USNRC has initiated a project to determine if any of the likely revisions to traditional earthquake engineering practice are relevant to seismic design of the specialized structures, systems and components of nuclear power plants and of such significance to suggest that a change in design practice might be warranted. As part of the initial phase of this study, a literature survey was conducted on the recent changes in seismic design codes/standards, on-going activities of code-writing organizations/communities, and published documents on displacement-based design methods. This paper provides a summary of recent changes in building codes and on-going activities for future codes. It also discusses some technical issues for further consideration

  13. Modelling magnetic forces during asymmetric vertical displacement events at JET

    International Nuclear Information System (INIS)

    Riccardo, V.; Walker, S.; Noll, P.

    2000-01-01

    Asymmetric vertical disruption events (AVDEs) are fortunately rare, but can induce large lateral forces which can cause significant mechanical damage to tokamaks. In this paper we present a simple model which allows the lateral forces generated during such a disruption to be estimated as a function of relatively easily obtained electromagnetic parameters: the asymmetries in the vertical current moment. This model is validated by using it to predict the displacement history of the JET tokamak caused by a number of major AVDEs. It is shown that the predicted forces and displacements agree well with quantities measured during these disruptions. One conclusion from the model is that the maximum sideways displacement scales with the product of the plasma current and the toroidal field, and this recipe is now used at JET to assess a priori the hazards of performing high current and high field pulses when they are known to be likely to disrupt. (author)

  14. Possible displacement of mercury's dipole

    International Nuclear Information System (INIS)

    Ng, K.H.; Beard, D.B.

    1979-01-01

    Earlier attempts to model the Hermean magnetospheric field based on a planet-centered magnetic multipole field have required the addition of a quadrupole moment to obtain a good fit to space vehicle observations. In this work we obtain an equally satisfactory fit by assuming a null quadrupole moment and least squares fitting of the displacement of the planetary dipole from the center of the planet. We find a best fit for a dipole displacement from the planet center of 0.033 R/sub m/ away from the solar direction, 0.025 R/sub m/ toward dawn in the magnetic equatorial plane, and 0.189 R/sub m/ northward along the magnetic dipole axis, where R/sub m/ is the planet radius. Therefore the presence of a magnetic quadrupole moment is not ruled out. The compressed dipole field more completely represents the field in the present work than in previous work where the intrinsic quadrupole field was not included in the magnetopause surface and field calculations. Moreover, we have corrected a programing error in previous work in the computation of dipole tilt lambda away from the sun. We find a slight increase for the planet dipole moment of 190γR/sub m/ 3 and a dipole tilt angle lambda away from the sun. We find a slight increase for the planet moment of 190γR/sub m/ 3 and a dipole tilt angle lambda of only 1.2 0 away from the sun. All other parameters are essentially unchanged

  15. Vibration Suppression of Electronic Box by a Dual Function Piezoelectric Energy Harvester-Tuned Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Sajid Rafique

    2014-04-01

    Full Text Available Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber. It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of 'electromechanical' TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel "electromechanical" TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry

  16. 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.

  17. Vibration suppression of electronic box by a dual function piezoelectric energy harvester-tuned vibration absorber

    International Nuclear Information System (INIS)

    Rafique, S.; Shah, S.

    2014-01-01

    Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber). It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of electromechanical TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel electromechanical TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry. (author)

  18. Functional unit, technological dynamics, and scaling properties for the life cycle energy of residences.

    Science.gov (United States)

    Frijia, Stephane; Guhathakurta, Subhrajit; Williams, Eric

    2012-02-07

    Prior LCA studies take the operational phase to include all energy use within a residence, implying a functional unit of all household activities, but then exclude related supply chains such as production of food, appliances, and household chemicals. We argue that bounding the functional unit to provision of a climate controlled space better focuses the LCA on the building, rather than activities that occur within a building. The second issue explored in this article is how technological change in the operational phase affects life cycle energy. Heating and cooling equipment is replaced at least several times over the lifetime of a residence; improved efficiency of newer equipment affects life cycle energy use. The third objective is to construct parametric models to describe LCA results for a family of related products. We explore these three issues through a case study of energy use of residences: one-story and two-story detached homes, 1,500-3,500 square feet in area, located in Phoenix, Arizona, built in 2002 and retired in 2051. With a restricted functional unit and accounting for technological progress, approximately 30% of a building's life cycle energy can be attributed to materials and construction, compared to 0.4-11% in previous studies.

  19. Development of an Enhanced Payback Function for the Superior Energy Performance Program

    Energy Technology Data Exchange (ETDEWEB)

    Therkelsen, Peter; Rao, Prakash; McKane, Aimee; Sabouni, Ridah; Sheihing, Paul

    2015-08-03

    The U.S. DOE Superior Energy Performance (SEP) program provides recognition to industrial and commercial facilities that achieve certification to the ISO 50001 energy management system standard and third party verification of energy performance improvements. Over 50 industrial facilities are participating and 28 facilities have been certified in the SEP program. These facilities find value in the robust, data driven energy performance improvement result that the SEP program delivers. Previous analysis of SEP certified facility data demonstrated the cost effectiveness of SEP and identified internal staff time to be the largest cost component related to SEP implementation and certification. This paper analyzes previously reported and newly collected data of costs and benefits associated with the implementation of an ISO 50001 and SEP certification. By disaggregating “sunk energy management system (EnMS) labor costs”, this analysis results in a more accurate and detailed understanding of the costs and benefits of SEP participation. SEP is shown to significantly improve and sustain energy performance and energy cost savings, resulting in a highly attractive return on investment. To illustrate these results, a payback function has been developed and is presented. On average facilities with annual energy spend greater than $2M can expect to implement SEP with a payback of less than 1.5 years. Finally, this paper also observes and details decreasing facility costs associated with implementing ISO 50001 and certifying to the SEP program, as the program has improved from pilot, to demonstration, to full launch.

  20. Energy principle with included boundary conditions

    International Nuclear Information System (INIS)

    Lehnert, B.

    1994-01-01

    Earlier comments by the author on the limitations of the classical form of the extended energy principle are supported by a complementary analysis on the potential energy change arising from free-boundary displacements of a magnetically confined plasma. In the final formulation of the extended principle, restricted displacements, satisfying pressure continuity by means of plasma volume currents in a thin boundary layer, are replaced by unrestricted (arbitrary) displacements which can give rise to induced surface currents. It is found that these currents contribute to the change in potential energy, and that their contribution is not taken into account by such a formulation. A general expression is further given for surface currents induced by arbitrary displacements. The expression is used to reformulate the energy principle for the class of displacements which satisfy all necessary boundary conditions, including that of the pressure balance. This makes a minimization procedure of the potential energy possible, for the class of all physically relevant test functions which include the constraints imposed by the boundary conditions. Such a procedure is also consistent with a corresponding variational calculus. (Author)

  1. Dynamic energy landscapes of riboswitches help interpret conformational rearrangements and function.

    Directory of Open Access Journals (Sweden)

    Giulio Quarta

    Full Text Available Riboswitches are RNAs that modulate gene expression by ligand-induced conformational changes. However, the way in which sequence dictates alternative folding pathways of gene regulation remains unclear. In this study, we compute energy landscapes, which describe the accessible secondary structures for a range of sequence lengths, to analyze the transcriptional process as a given sequence elongates to full length. In line with experimental evidence, we find that most riboswitch landscapes can be characterized by three broad classes as a function of sequence length in terms of the distribution and barrier type of the conformational clusters: low-barrier landscape with an ensemble of different conformations in equilibrium before encountering a substrate; barrier-free landscape in which a direct, dominant "downhill" pathway to the minimum free energy structure is apparent; and a barrier-dominated landscape with two isolated conformational states, each associated with a different biological function. Sharing concepts with the "new view" of protein folding energy landscapes, we term the three sequence ranges above as the sensing, downhill folding, and functional windows, respectively. We find that these energy landscape patterns are conserved in various riboswitch classes, though the order of the windows may vary. In fact, the order of the three windows suggests either kinetic or thermodynamic control of ligand binding. These findings help understand riboswitch structure/function relationships and open new avenues to riboswitch design.

  2. A Game for Energy-Aware Allocation of Virtualized Network Functions

    Directory of Open Access Journals (Sweden)

    Roberto Bruschi

    2016-01-01

    Full Text Available Network Functions Virtualization (NFV is a network architecture concept where network functionality is virtualized and separated into multiple building blocks that may connect or be chained together to implement the required services. The main advantages consist of an increase in network flexibility and scalability. Indeed, each part of the service chain can be allocated and reallocated at runtime depending on demand. In this paper, we present and evaluate an energy-aware Game-Theory-based solution for resource allocation of Virtualized Network Functions (VNFs within NFV environments. We consider each VNF as a player of the problem that competes for the physical network node capacity pool, seeking the minimization of individual cost functions. The physical network nodes dynamically adjust their processing capacity according to the incoming workload, by means of an Adaptive Rate (AR strategy that aims at minimizing the product of energy consumption and processing delay. On the basis of the result of the nodes’ AR strategy, the VNFs’ resource sharing costs assume a polynomial form in the workflows, which admits a unique Nash Equilibrium (NE. We examine the effect of different (unconstrained and constrained forms of the nodes’ optimization problem on the equilibrium and compare the power consumption and delay achieved with energy-aware and non-energy-aware strategy profiles.

  3. Energy-based Lyapunov functions for forced Hamiltonian systems with dissipation

    NARCIS (Netherlands)

    Maschke, Bernhard M.J.; Ortega, Romeo; Schaft, Arjan J. van der

    1998-01-01

    It is well known that the total energy is a suitable Lyapunov function to study the stability of the trivial equilibrium of an isolated standard Hamiltonian system. In many practical instances, however, the system is in interaction with its environment through some constant forcing terms. This gives

  4. Ab initio and work function and surface energy anisotropy of LaB6

    NARCIS (Netherlands)

    Uijttewaal, M. A.; de Wijs, G. A.; de Groot, R. A.

    2006-01-01

    Lanthanum hexaboride is one of the cathode materials most used in high-power electronics technology, but the many experimental results do not provide a consistent picture of the surface properties. Therefore, we report the first ab initio calculations of the work functions and surface energies of

  5. Four-body wave function of π3He-system at the threshold energy

    International Nuclear Information System (INIS)

    Pupyshev, V.V.; Rakityanskij, S.A.

    1985-01-01

    On the basis of approximate four-body equations the wave function of π 3 He-system is calculated at zero kinetic energy of the pion. In the case when distances between all four particles are comparable with the nucleus size a strong distortion of the wave function of (3N)-subsystem caused by the presence of the pion is found. The calculated four-body function is represented in a semianalytical form, which makes it possible to apply it in different calculations

  6. Accurate correlation energies in one-dimensional systems from small system-adapted basis functions

    Science.gov (United States)

    Baker, Thomas E.; Burke, Kieron; White, Steven R.

    2018-02-01

    We propose a general method for constructing system-dependent basis functions for correlated quantum calculations. Our construction combines features from several traditional approaches: plane waves, localized basis functions, and wavelets. In a one-dimensional mimic of Coulomb systems, it requires only 2-3 basis functions per electron to achieve high accuracy, and reproduces the natural orbitals. We illustrate its effectiveness for molecular energy curves and chains of many one-dimensional atoms. We discuss the promise and challenges for realistic quantum chemical calculations.

  7. Neutron-induced displacement damage analysis (with particular reference to zirconium)

    International Nuclear Information System (INIS)

    Woo, C.H.

    1978-10-01

    Neutron irradiation produces damage in a solid, initially in the form of atomic displacements. As a first step to understanding the effects of irradiation damage in reactor structural materials, information on the initial atomic displacements is necessary. The computer program DISPKAN, based on an extension and generalization of the program RICE, written at ORNL for such calculations, has been developed and installed on the CDC system at CRNL. Using neutron scattering data from ENDF/B files, DISPKAN performs a displacement and PKO analysis on the initial damage caused by neutrons from a given spectrum. The following quantities are calculated: the displacement rate per unit neutron flux, the PKO spectrum, the displacement spectrum, the fraction of PKO's with energy above T, the fraction of displacements produced by PKO's with energy above T, the average PKO energy, the average number of displacements produced per PKO, and the total number of PKO's produced per atom of the solid per unit fluence. The input and output formats of the program are explained. Sample runs are demonstrated. Results for zirconium, exposed to five neutron spectra typically available to experimentalist, are given to illustrate the spectral dependence of the initial displacement events. (author)

  8. An efficient and accurate method to obtain the energy-dependent Green function for general potentials

    International Nuclear Information System (INIS)

    Kramer, T; Heller, E J; Parrott, R E

    2008-01-01

    Time-dependent quantum mechanics provides an intuitive picture of particle propagation in external fields. Semiclassical methods link the classical trajectories of particles with their quantum mechanical propagation. Many analytical results and a variety of numerical methods have been developed to solve the time-dependent Schroedinger equation. The time-dependent methods work for nearly arbitrarily shaped potentials, including sources and sinks via complex-valued potentials. Many quantities are measured at fixed energy, which is seemingly not well suited for a time-dependent formulation. Very few methods exist to obtain the energy-dependent Green function for complicated potentials without resorting to ensemble averages or using certain lead-in arrangements. Here, we demonstrate in detail a time-dependent approach, which can accurately and effectively construct the energy-dependent Green function for very general potentials. The applications of the method are numerous, including chemical, mesoscopic, and atomic physics

  9. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

    2017-10-01

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

  10. Epitaxial phase diagrams of SrTiO3, CaTiO3, and SrHfO3: Computational investigation including the role of antiferrodistortive and A -site displacement modes

    Science.gov (United States)

    Angsten, Thomas; Asta, Mark

    2018-04-01

    Ground-state epitaxial phase diagrams are calculated by density functional theory (DFT) for SrTiO3, CaTiO3, and SrHfO3 perovskite-based compounds, accounting for the effects of antiferrodistortive and A -site displacement modes. Biaxial strain states corresponding to epitaxial growth of (001)-oriented films are considered, with misfit strains ranging between -4 % and 4%. Ground-state structures are determined using a computational procedure in which input structures for DFT optimizations are identified as local minima in expansions of the total energy with respect to strain and soft-mode degrees of freedom. Comparison to results of previous DFT studies demonstrates the effectiveness of the computational approach in predicting ground-state phases. The calculated results show that antiferrodistortive octahedral rotations and associated A -site displacement modes act to suppress polarization and reduce the epitaxial strain energy. A projection of calculated atomic displacements in the ground-state epitaxial structures onto soft-mode eigenvectors shows that three ferroelectric and six antiferrodistortive displacement modes are dominant at all misfit strains considered, with the relative contributions from each varying systematically with the strain. Additional A -site displacement modes contribute to the atomic displacements in CaTiO3 and SrHfO3, which serve to optimize the coordination of the undersized A -site cation.

  11. General Series Solutions for Stresses and Displacements in an Inner-fixed Ring

    Science.gov (United States)

    Jiao, Yongshu; Liu, Shuo; Qi, Dexuan

    2018-03-01

    The general series solution approach is provided to get the stress and displacement fields in the inner-fixed ring. After choosing an Airy stress function in series form, stresses are expressed by infinite coefficients. Displacements are obtained by integrating the geometric equations. For an inner-fixed ring, the arbitrary loads acting on outer edge are extended into two sets of Fourier series. The zero displacement boundary conditions on inner surface are utilized. Then the stress (and displacement) coefficients are expressed by loading coefficients. A numerical example shows the validity of this approach.

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

    International Nuclear Information System (INIS)

    Rebolini, E.

    2014-01-01

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

  13. Measurement of the electron structure function F2e at LEP energies

    Directory of Open Access Journals (Sweden)

    J. Abdallah

    2014-10-01

    Full Text Available The hadronic part of the electron structure function F2e has been measured for the first time, using e+e− data collected by the DELPHI experiment at LEP, at centre-of-mass energies of s=91.2–209.5 GeV. The data analysis is simpler than that of the measurement of the photon structure function. The electron structure function F2e data are compared to predictions of phenomenological models based on the photon structure function. It is shown that the contribution of large target photon virtualities is significant. The data presented can serve as a cross-check of the photon structure function F2γ analyses and help in refining existing parameterisations.

  14. Measurement of the electron structure function F{sub 2}{sup e} at LEP energies

    Energy Technology Data Exchange (ETDEWEB)

    Abdallah, J. [LPNHE, IN2P3-CNRS, Univ. Paris VI et VII, 4 place Jussieu, FR-75252 Paris Cedex 05 (France); Abreu, P. [LIP, IST, FCUL, Av. Elias Garcia, 14-1" o, PT-1000 Lisboa Codex (Portugal); Adam, W. [Institut für Hochenergiephysik, Österr. Akad. d. Wissensch., Nikolsdorfergasse 18, AT-1050 Vienna (Austria); Adzic, P. [Institute of Nuclear Physics, N.C.S.R. Demokritos, P.O. Box 60228, GR-15310 Athens (Greece); Albrecht, T. [Institut für Experimentelle Kernphysik, Universität Karlsruhe, Postfach 6980, DE-76128 Karlsruhe (Germany); Alemany-Fernandez, R. [CERN, CH-1211 Geneva 23 (Switzerland); Allmendinger, T. [Institut für Experimentelle Kernphysik, Universität Karlsruhe, Postfach 6980, DE-76128 Karlsruhe (Germany); Allport, P.P. [Department of Physics, University of Liverpool, P.O. Box 147, Liverpool L69 3BX (United Kingdom); Amaldi, U. [Dipartimento di Fisica, Univ. di Milano-Bicocca and INFN-Milano, Piazza della Scienza 3, IT-20126 Milan (Italy); Amapane, N. [Dipartimento di Fisica Sperimentale, Università di Torino and INFN, Via P. Giuria 1, IT-10125 Turin (Italy); Amato, S. [Univ. Federal do Rio de Janeiro, C.P. 68528 Cidade Univ., Ilha do Fundão, BR-21945-970 Rio de Janeiro (Brazil); Anashkin, E. [Dipartimento di Fisica, Università di Padova and INFN, Via Marzolo 8, IT-35131 Padua (Italy); Andreazza, A. [Dipartimento di Fisica, Università di Milano and INFN-Milano, Via Celoria 16, IT-20133 Milan (Italy); Andringa, S.; Anjos, N. [LIP, IST, FCUL, Av. Elias Garcia, 14-1" o, PT-1000 Lisboa Codex (Portugal); Antilogus, P. [LPNHE, IN2P3-CNRS, Univ. Paris VI et VII, 4 place Jussieu, FR-75252 Paris Cedex 05 (France); and others

    2014-10-07

    The hadronic part of the electron structure function F{sub 2}{sup e} has been measured for the first time, using e{sup +}e{sup −} data collected by the DELPHI experiment at LEP, at centre-of-mass energies of √(s)=91.2–209.5 GeV. The data analysis is simpler than that of the measurement of the photon structure function. The electron structure function F{sub 2}{sup e} data are compared to predictions of phenomenological models based on the photon structure function. It is shown that the contribution of large target photon virtualities is significant. The data presented can serve as a cross-check of the photon structure function F{sub 2}{sup γ} analyses and help in refining existing parameterisations.

  15. Displacement measurement system for linear array detector

    International Nuclear Information System (INIS)

    Zhang Pengchong; Chen Ziyu; Shen Ji

    2011-01-01

    It presents a set of linear displacement measurement system based on encoder. The system includes displacement encoders, optical lens and read out circuit. Displacement read out unit includes linear CCD and its drive circuit, two amplifier circuits, second order Butterworth low-pass filter and the binarization circuit. The coding way is introduced, and various parts of the experimental signal waveforms are given, and finally a linear experimental test results are given. The experimental results are satisfactory. (authors)

  16. Displaced epithelium after liposuction for gynecomastia.

    Science.gov (United States)

    McLaughlin, Cristina S; Petrey, Chris; Grant, Shawn; Ransdell, Jill S; Reynolds, Carol

    2011-08-01

    The authors describe the case of a 36-year-old man with gynecomastia who was previously treated with liposuction of the breast for cosmetic purposes. Histologic examination of a subsequent excisional biopsy revealed nests of displaced epithelial cells in adipose tissue. Epithelial cell displacement is a well-known risk of core needle biopsies and fine-needle aspirations of breast lesions. However, to the authors' knowledge, epithelial displacement in gynecomastia after liposuction, mimicking invasive ductal carcinoma, has not previously been reported.

  17. DART: A Functional-Level Reconfigurable Architecture for High Energy Efficiency

    Directory of Open Access Journals (Sweden)

    David Raphaël

    2008-01-01

    Full Text Available Abstract Flexibility becomes a major concern for the development of multimedia and mobile communication systems, as well as classical high-performance and low-energy consumption constraints. The use of general-purpose processors solves flexibility problems but fails to cope with the increasing demand for energy efficiency. This paper presents the DART architecture based on the functional-level reconfiguration paradigm which allows a significant improvement in energy efficiency. DART is built around a hierarchical interconnection network allowing high flexibility while keeping the power overhead low. To enable specific optimizations, DART supports two modes of reconfiguration. The compilation framework is built using compilation and high-level synthesis techniques. A 3G mobile communication application has been implemented as a proof of concept. The energy distribution within the architecture and the physical implementation are also discussed. Finally, the VLSI design of a 0.13  m CMOS SoC implementing a specialized DART cluster is presented.

  18. General Retarded Contact Self-energies in and beyond the Non-equilibrium Green's Functions Method

    Science.gov (United States)

    Kubis, Tillmann; He, Yu; Andrawis, Robert; Klimeck, Gerhard

    2016-03-01

    Retarded contact self-energies in the framework of nonequilibrium Green's functions allow to model the impact of lead structures on the device without explicitly including the leads in the actual device calculation. Most of the contact self-energy algorithms are limited to homogeneous or periodic, semi-infinite lead structures. In this work, the complex absorbing potential method is extended to solve retarded contact self-energies for arbitrary lead structures, including irregular and randomly disordered leads. This method is verified for regular leads against common approaches and on physically equivalent, but numerically different irregular leads. Transmission results on randomly alloyed In0.5Ga0.5As structures show the importance of disorder in the leads. The concept of retarded contact self-energies is expanded to model passivation of atomically resolved surfaces without explicitly increasing the device's Hamiltonian.

  19. Temporal energy partitions of Florida extreme sea level events as a function of Atlantic multidecadal oscillation

    Directory of Open Access Journals (Sweden)

    J. Park

    2010-06-01

    Full Text Available An energy-conservative metric based on the discrete wavelet transform is applied to assess the relative energy distribution of extreme sea level events across different temporal scales. The metric is applied to coastal events at Key West and Pensacola Florida as a function of two Atlantic Multidecadal Oscillation (AMO regimes. Under AMO warm conditions there is a small but significant redistribution of event energy from nearly static into more dynamic (shorter duration timescales at Key West, while at Pensacola the AMO-dependent changes in temporal event behaviour are less pronounced. Extreme events with increased temporal dynamics might be consistent with an increase in total energy of event forcings which may be a reflection of more energetic storm events during AMO warm phases. As dynamical models mature to the point of providing regional climate index predictability, coastal planners may be able to consider such temporal change metrics in planning scenarios.

  20. TREATMENT OF DISPLACED MALLEOLAR FRACTURES AT CHILDREN

    Directory of Open Access Journals (Sweden)

    Franci Vindišar

    2004-04-01

    Full Text Available Background. The exact knowledge of the anatomic relations of the juvenile skeleton is of great importance for the determination of the injury and proper treatment. The treatment should be uniform and carried out in one act. Considering this facts the functional results are usually very good and no late sequel are recorded.Methods. In 5-years period 25 children with age 7 to 17 were treated with displaced fracture of ankle. The Salter-Harris classification (SHC was used. Children were classified in two groups. In first group (G-I 11 children were treated with closed reduction. Whole group was classified as type II fractures of SHC. In second group (G-II 14 children were treated operatively. 10 cases were type III, 2 cases were type IV of SHC and 2 were juvenil Tillaux fracture. In follow-up we registered the duration of immobilisation, non-weight bearing period, mobility and residual pain at the end of the treatment.Results. In G-I average non-weight bearing period was 10.4 weeks, in G-II only 7.8 weeks. At the end of the treatment in both groups very good functional results were achieved. There were no complications in operative group (G-II.Conclusions. Children relatively often suffer ankle injuries. With proper diagnosis and early adequate treatment the prognosis is good and no functional sequel were recorded.

  1. Energy-efficient specialization of functional units in a Coarse-Grained Reconfigurable Array

    International Nuclear Information System (INIS)

    Van Essen, B.; Panda, R.; Wood, A.; Ebeling, C.; Hauck, S.

    2010-01-01

    Functional units provide the backbone of any spatial accelerator by providing the computing resources. The desire for having rich and expensive functional units is in tension with producing a regular and energy-efficient computing fabric. This paper explores the design trade-off between complex, universal functional units and simpler, limited functional units. We show that a modest amount of specialization reduces the area-delay-energy product of an optimized architecture to 0.86x a baseline architecture. Furthermore, we provide a design guideline that allows an architect to customize the contents of the computing fabric just by examining the profile of benchmarks within the application domains. Functional units are the core of compute-intensive spatial accelerators. They perform the computation of interest with support from local storage and communication structures. Ideally, the functional units will provide rich functionality, supporting operations ranging from simple addition, to fused multiply-adds, to advanced transcendental functions and domain specific operations like add-compare-select. However, the total opportunity cost to support the more complex operations is a function of the cost of the hardware, the rate of occurrence of the operation in the application domain, and the inefficiency of emulating the operation with simpler operators. Examples of operations that are typically emulated in spatial accelerators are division and trigonometric functions, which can be solved using table-lookup based algorithms and the CORDIC algorithm. One reason to avoid having direct hardware support for complex operations in a tiled architecture like a Coarse-Grained Reconfigurable Array (CGRA) is that the expensive hardware will typically need to be replicated in some or all of the architecture's tiles. Tiled architecture are designed such that their tiles are either homogeneous or heterogeneous. Homogeneous architectures are simpler to design but heterogeneous

  2. Displacement cross sections and PKA spectra: tables and applications

    International Nuclear Information System (INIS)

    Doran, D.G.; Graves, N.J.

    1976-12-01

    Damage energy cross sections to 20 MeV are given for aluminum, vanadium, chromium, iron, nickel, copper, zirconium, niobium, molybdenum, tantalum, tungsten, lead, and 18Cr10Ni stainless steel. They are based on ENDF/B-IV nuclear data and the Lindhard energy partition model. Primary knockon atom (PKA) spectra are given for aluminum, iron, niobium, tantalum, and lead for neutron energies up to 15 MeV at approximately one-quarter lethargy intervals. The contributions of various reactions to both the displacement cross sections (taken to be proportional to the damage energy cross sections) and the PKA spectra are presented graphically. Spectral-averaged values of the displacement cross sections are given for several spectra, including approximate maps for the Experimental Breeder Reactor-II (EBR-II) and several positions in the Fast Test Reactor (FTR). Flux values are included to permit estimation of displacement rates. Graphs show integral PKA spectra for the five metals listed above for neutron spectra corresponding to locations in the EBR-II, the High Flux Isotope Reactor (HFIR), and a conceptual fusion reactor (UWMAK-I). Detailed calculations are given only for cases not previously documented. Uncertainty estimates are included

  3. Tracking speckle displacement by double Kalman filtering

    Institute of Scientific and Technical Information of China (English)

    Donghui Li; Li Guo

    2006-01-01

    @@ A tracking technique using two sequentially-connected Kalman filter for tracking laser speckle displacement is presented. One Kalman filter tracks temporal speckle displacement, while another Kalman filter tracks spatial speckle displacement. The temporal Kalman filter provides a prior for the spatial Kalman filter, and the spatial Kalman filter provides measurements for the temporal Kalman filter. The contribution of a prior to estimations of the spatial Kalman filter is analyzed. An optical analysis system was set up to verify the double-Kalman-filter tracker's ability of tracking laser speckle's constant displacement.

  4. Point Coupled Displacement Sensor, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Real-time displacement measurement techniques are needed to acquire aerodynamic and structural system characteristics in flight. This proposal describes the...

  5. Bending energy penalty enhances the adhesive strength of functional amyloid curli to surfaces

    Science.gov (United States)

    Zhang, Yao; Wang, Ao; DeBenedictis, Elizabeth P.; Keten, Sinan

    2017-11-01

    The functional amyloid curli fiber, a major proteinaceous component of biofilm extracellular matrices, plays an important role in biofilm formation and enterobacteriaceae adhesion. Curli nanofibers exhibit exceptional underwater adhesion to various surfaces, have high rigidity and strong tensile mechanical properties, and thus hold great promise in biomaterials. The mechanisms of how curli fibers strongly attach to surfaces and detach under force remain elusive. To investigate curli fiber adhesion to surfaces, we developed a coarse-grained curli fiber model, in which the protein subunit CsgA (curli specific gene A) self-assembles into the fiber. The coarse-grained model yields physiologically relevant and tunable bending rigidity and persistence length. The force-induced desorption of a single curli fiber is examined using coarse-grained modeling and theoretical analysis. We find that the bending energy penalty arising from high persistence length enhances the resistance of the curli fiber against desorption and thus strengthens the adhesion of the curli fiber to surfaces. The CsgA-surface adhesion energy and the curli fiber bending rigidity both play crucial roles in the resistance of curli fiber against desorption from surfaces. To enable the desorption process, the applied peeling force must overcome both the interfacial adhesion energy and the energy barrier for bending the curli fiber at the peeling front. We show that the energy barrier to desorption increases with the interfacial adhesion energy, however, the bending induced failure of a single curli fiber limits the work of adhesion if the proportion of the CsgA-surface adhesion energy to the CsgA-CsgA cohesive energy becomes large. These results illustrate that the optimal adhesion performance of nanofibers is dictated by the interplay between bending, surface energy and cohesive energy. Our model provides timely insight into enterobacteriaceae adhesion mechanisms as well as future designs of engineered

  6. Solar Wind Energy Input during Prolonged, Intense Northward Interplanetary Magnetic Fields: A New Coupling Function

    Science.gov (United States)

    Du, A. M.; Tsurutani, B. T.; Sun, W.

    2012-04-01

    Sudden energy release (ER) events in the midnight sector at auroral zone latitudes during intense (B > 10 nT), long-duration (T > 3 hr), northward (Bz > 0 nT = N) IMF magnetic clouds (MCs) during solar cycle 23 (SC23) have been examined in detail. The MCs with northward-then-southward (NS) IMFs were analyzed separately from MCs with southward-then-northward (SN) configurations. It is found that there is a lack of substorms during the N field intervals of NS clouds. In sharp contrast, ER events do occur during the N field portions of SN MCs. From the above two results it is reasonable to conclude that the latter ER events represent residual energy remaining from the preceding S portions of the SN MCs. We derive a new solar wind-magnetosphere coupling function during northward IMFs: ENIMF = α N-1/12V 7/3B1/2 + β V |Dstmin|. The first term on the right-hand side of the equation represents the energy input via "viscous interaction", and the second term indicates the residual energy stored in the magnetotail. It is empirically found that the magnetosphere/magnetotail can store energy for a maximum of ~ 4 hrs before it has dissipated away. This concept is defining one for ER/substorm energy storage. Our scenario indicates that the rate of solar wind energy injection into the magnetosphere/magnetotail determines the form of energy release into the magnetosphere/ionosphere. This may be more important than the dissipation mechanism itself (in understanding the form of the release). The concept of short-term energy storage is applied for the solar case. It is argued that it may be necessary to identify the rate of energy input into solar magnetic loop systems to be able to predict the occurrence of solar flares.

  7. Fundamental principles of rotary displacement meters

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, J. [Schlumberger Industries, Owenton, KY (United States)

    1995-12-01

    The gas meter exists to continually and accurately measure the volume of gas supplied over the complete flow range of the load. In effect the gas meter serves as the {open_quotes}cash register{close_quotes} of the gas industry; its accurate and dependable performance ensures fair dealings for both the supplier and the user. An investment both in and of itself, the gas meter should be chosen as a function of its usefullness both over the short term and the long term. Thus in addition to initial cost, one must take into account various associated factors, costs and benefits, including the following: Design Characteristics Application, suitability, Meter features and options, Operation constraints, Installation, Service and maintenance, Repair and replacement, Life expectancy, Compatibility with complimentary products, Correcting devices, Remote reading capabilities, Data generation and gathering, Upgradeabilty. This paper will look at one positive displacement meter, the Rotary meter, and address the fundamentals principals of the technology as well as looking at some of the benefits derived from its application. Rotary positive displacement meters were introduced at the end of last century. Used primarily for metering transmission sized loads, the meters` measuring capabilities have extended to cover nearly all areas of distribution with exception of domestic applications. Rotary meters are available in rated capacities from 800 cfh to 102,000 cfh and operating pressures from 175 PSIG to 1440 PSIG. The use of rotary meters on load ranges in the 800 to 10,000 cfh category has increased and is replacing the use of diaphragm meters because of the smaller relative size of rotaries, and improvements in rangeabilities in the last few years. Turbine meters are usually the meter of choice on loads over 16,000 cfh unless a meter with high rangeability is required because of varying load characteristics, in which case a large foot mounted rotary might still be selected.

  8. The Displaced ‘Dispositif’

    Directory of Open Access Journals (Sweden)

    Guy Edmonds

    2017-11-01

    Full Text Available “Dispositif” is a term used in film studies since the 1970s to describe the entire system of mechanical and human factors which together bring about the cinema experience. It therefore refers to (amongst other things the space of the auditorium, the screen, the projection technology and the physiology of the spectator. Many of its qualifying components are masked from the view of participants in the system. The dispositif’s purpose is to set up the conditions for a specific type of cognitive experience, one which mirrors and extends (and in some readings, controls the experience of its participants. The Displaced Dispositif is a performance designed for the space of a cinema theatre, but featuring the projection of fragments of early silent cinema on a coeval (1910s film projector from the auditorium. The film fragments are live-scored by the sound artist, Shaun Lewin, using a combination of closely mic’d sources on the projector itself, luminance data from the projected image and EEG brainwave data recorded from participants during previous projections of the film. Displacing elements in the dispositif in this way, by shifting modalities, situating in parallel, feeding back and layering, draws attention to its hidden existence and creates the potential for a more knowing and informed participation in the cinema experience. It also serves to demonstrate the degree to which dispositifs of modern cinema spectatorship, which have morphed and proliferated since the widespread digitization of film heritage, have radically altered both the technological and experiential qualities of the medium. By integrating EEG data, the performance adds the dimension of electrophysiological experience to the long tradition within experimental cinema of artists calling attention to Cinema’s hidden structures. As well as challenging the dominance of the worldview propagated by the film industry, the performance also signals a means of re-engaging with the

  9. The Analytical Potential Energy Function of NH Radical Molecule in External Electric Field

    International Nuclear Information System (INIS)

    Wu Dong-Lan; Tan Bin; Wan Hui-Jun; Xie An-Dong; Ding Da-Jun

    2015-01-01

    The geometric structures of an NH radical in different external electric fields are optimized by using the density functional B3P86/cc-PV5Z method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD (T) method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect. (paper)

  10. Low-energy ion distribution functions on a magnetically quiet day at geostationary altitude (L = 7)

    International Nuclear Information System (INIS)

    Singh, N.; Raitt, W.J.; Yasuhara, F.

    1982-01-01

    By using averaged data from ATS 6, ion energy and pitch angle distribution functions were examined for a magnetically quiet day (July 18, 1974). The data showed that for both field-aligned and perpendicular fluxes, the population had a mixture of characteristic energies. It was found that over three different energy bands in the range 3-600 eV the distribution functions could be fairly well approximated by Maxwellian distributions with temperatures in the ranges 3-10 eV, 30-50 eV, and approximately 70 eV in energy bands of 3-30 eV, 30-140 eV, and 140-600 eV, respectively. Pitch angle distributions were found to vary the local time; strong field-aligned particle fluxes were measured in the midnight and afternoon sectors, minor field-aligned components persisted to some extent at all times, especially at low energies (E 0 was seen. By using the assumption that the plasma was corotating with the satellite, we have examined pitch angle scattering mechanisms responsible for the observed transformation of pitch angle distribution. It was found that a magnetic noise of power spectral density b 2 -3 γ 2 /Hz belonging to electromagnetic ion cyclotron mode (L mode) near the ion cyclotron frequency could be very effective in trapping the field-aligned fluxes by pitch angle scattering

  11. Development of multi-functional nano-paint for energy harvesting applications

    Directory of Open Access Journals (Sweden)

    Bir B. Bohara

    2018-02-01

    Full Text Available The multi-functionality of lead magnesium niobate-lead titanate/paint (PMN-PT/paint nanocomposite films for energy harvesting via piezoelectric and pyroelectric effects is described. PMN-PT/paint films have been fabricated by a conventional paint-brushing technique to provide a low-cost, low-temperature and low–energy route to create multi-functional films. The properties investigated included dielectric constants, ε' and ε'', as a function of temperature, frequency and composition. From these parameters, it is indicated that the dielectric constants and AC conductivity (σAC increase with an increase of filler content and temperature, implying an improvement of the functionality of the films. The results revealed that σAC obeyed the relation σAC = Aωs, and exponent s, was found to decrease by increasing the temperature. The correlated barrier hopping was the dominant conduction mechanism in the nanocomposite films. The efforts were made to investigate the performance of nanocomposite films to mechanical vibrations and thermal variations. A cantilever system was designed and examined to assess its performance as energy harvesters. The highest output voltage and power for a PMN-PT/paint based harvester with a broad frequency response operating in the -31-piezoelectric mode were 65 mV and 1 nW, respectively. Voltage and power were shown to be enhanced by application of thermal variations. Thus, films could be utilized for combined energy harvesting via piezoelectric and pyroelectric characteristics. Keywords: Dielectric, Pyroelectricity, Piezoelectricity, Nanocomposites, PMN-PT, Energy harvesting

  12. Regulation of the activins-follistatins-inhibins axis by energy status: Impact on reproductive function.

    Science.gov (United States)

    Perakakis, Nikolaos; Upadhyay, Jagriti; Ghaly, Wael; Chen, Joyce; Chrysafi, Pavlina; Anastasilakis, Athanasios D; Mantzoros, Christos S

    2018-05-09

    We have previously demonstrated that the adipose tissue derived hormone leptin controls reproductive function by regulating the hypothalamic-pituitary-gonadal axis in response to energy deficiency. Here, we evaluate the activins-follistatins-inhibins (AFI) axis during acute (short-term fasting in healthy people) and chronic energy deficiency (women with hypothalamic amenorrhea due to strenuous exercise [HA]) and investigate their relation to leptin and reproductive function in healthy subjects and subjects with HA. The AFI axis was investigated in: a) A double-blinded study in healthy subjects having three randomly assigned admissions, each time for four days: in the isocaloric fed state, complete fasting with placebo treatment, complete fasting with leptin replacement, b) A case-control study comparing women with HA vs healthy controls, c) An open-label interventional study investigating leptin treatment in women with HA over a period of up to three months, d) A randomized interventional trial investigating leptin treatment vs placebo in women with HA for nine months. The circulating levels of activin A, activin B, follistatin and follistatin-like 3 change robustly in response to acute and chronic energy deficiency. Leptin replacement in acute energy deprivation does not affect the levels of these hormones suggesting an independent regulation by these two hormonal pathways. In chronic energy deficiency, leptin replacement restores only activin B levels, which are in turn associated with an increase in the number of dominant follicles. We demonstrate for the first time that the AFI axis is affected both by acute and chronic energy deficiency. Partial restoration of a component of the axis, i.e. activin B only, through leptin replacement is associated with improved reproductive function in women with HA. Copyright © 2018. Published by Elsevier Inc.

  13. Effect of eccentric location of the RBMK CPS displacer graphite block in the shielding sheath

    International Nuclear Information System (INIS)

    Dostov, A.I.

    2001-01-01

    Temperature conditions and accumulation of Wigner energy in the graphite block of the RBMK reactor CPS (control power system) displacer is examined. It is shown, that at eccentric location of the block in the shielding sheath average temperature of the block drops sharply. Due to the design demerit quantity of the stored energy in the block may be so great, that its release will result in melting of the displacer tube. (author)

  14. Bike Desks in the Classroom: Energy Expenditure, Physical Health, Cognitive Performance, Brain Functioning, and Academic Performance.

    Science.gov (United States)

    Torbeyns, Tine; de Geus, Bas; Bailey, Stephen; Decroix, Lieselot; Van Cutsem, Jeroen; De Pauw, Kevin; Meeusen, Romain

    2017-06-01

    Physical activity is positively associated with physical health, cognitive performance, brain functioning and academic performance. The aim of this study is to investigate the influence of bike desks in the classroom on adolescents' energy expenditure, physical health, cognitive performance, brain functioning and academic performance. Forty-four adolescents were randomly assigned to control group (CG) or intervention group (IG). During 5 months, the IG used a bike desk for 4 class hours/week. Energy expenditure was measured during 6 consecutive days. Anthropometric parameters, aerobic fitness, academic performance, cognitive performance and brain functioning were assessed before (T0) and after (T1) the intervention. Energy expenditure of the IG was significantly higher during the class hours in which they used the bike desks relative to normal class hours. The CG had a significantly higher BMI at T1 relative to T0 while this was not significantly different for the IG. Aerobic fitness was significantly better in the IG at T1 relative to T0. No significant effects on academic performance cognitive performance and brain functioning were observed. As the implementation of bike desks in the classroom did not interfere with adolescents' academic performance, this can be seen as an effective means of reducing in-class sedentary time and improving adolescents' physical health.

  15. Displacement per atom profile in carbon nanotube bulk material under gamma irradiation

    International Nuclear Information System (INIS)

    Leyva, A.; Pinnera, I.; Leyva, D.; Cruz, C.; Abreu, Y.

    2011-01-01

    Taking into account the physical properties and the displacement threshold energy values reported in literature for C atoms in single and multiple walled carbon nanotubes, the effective atomic displacement cross-section in carbon nanotube bulk materials exposed to the gamma rays were calculated. Then, using the mathematical simulation of photons and particles transport in the matter, energy fluxes distribution of electrons and positrons within the irradiated object were also calculated. Finally, considering both results, the atomic displacement damage profiles inside the analyzed carbon nanotube bulk materials were determined. (Author)

  16. Effects of Fault Displacement on Emplacement Drifts

    International Nuclear Information System (INIS)

    Duan, F.

    2000-01-01

    The purpose of this analysis is to evaluate potential effects of fault displacement on emplacement drifts, including drip shields and waste packages emplaced in emplacement drifts. The output from this analysis not only provides data for the evaluation of long-term drift stability but also supports the Engineered Barrier System (EBS) process model report (PMR) and Disruptive Events Report currently under development. The primary scope of this analysis includes (1) examining fault displacement effects in terms of induced stresses and displacements in the rock mass surrounding an emplacement drift and (2 ) predicting fault displacement effects on the drip shield and waste package. The magnitude of the fault displacement analyzed in this analysis bounds the mean fault displacement corresponding to an annual frequency of exceedance of 10 -5 adopted for the preclosure period of the repository and also supports the postclosure performance assessment. This analysis is performed following the development plan prepared for analyzing effects of fault displacement on emplacement drifts (CRWMS M and O 2000). The analysis will begin with the identification and preparation of requirements, criteria, and inputs. A literature survey on accommodating fault displacements encountered in underground structures such as buried oil and gas pipelines will be conducted. For a given fault displacement, the least favorable scenario in term of the spatial relation of a fault to an emplacement drift is chosen, and the analysis is then performed analytically. Based on the analysis results, conclusions are made regarding the effects and consequences of fault displacement on emplacement drifts. Specifically, the analysis will discuss loads which can be induced by fault displacement on emplacement drifts, drip shield and/or waste packages during the time period of postclosure

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  18. First-principle study of nanostructures of functionalized graphene

    Indian Academy of Sciences (India)

    We present first-principle calculations of 2D nanostructures of graphene functionalized with hydrogen and fluorine, respectively, in chair conformation. The partial density of states, band structure, binding energy and transverse displacement of C atoms due to functionalization (buckling) have been calculated within the ...

  19. Gaussian-3 theory using density functional geometries and zero-point energies

    International Nuclear Information System (INIS)

    Baboul, A.G.; Curtiss, L.A.; Redfern, P.C.; Raghavachari, K.

    1999-01-01

    A variation of Gaussian-3 (G3) theory is presented in which the geometries and zero-point energies are obtained from B3LYP density functional theory [B3LYP/6-31G(d)] instead of geometries from second-order perturbation theory [MP2(FU)/6-31G(d)] and zero-point energies from Hartree - Fock theory [HF/6-31G(d)]. This variation, referred to as G3//B3LYP, is assessed on 299 energies (enthalpies of formation, ionization potentials, electron affinities, proton affinities) from the G2/97 test set [J. Chem. Phys. 109, 42 (1998)]. The G3//B3LYP average absolute deviation from experiment for the 299 energies is 0.99 kcal/mol compared to 1.01 kcal/mol for G3 theory. Generally, the results from the two methods are similar, with some exceptions. G3//B3LYP theory gives significantly improved results for several cases for which MP2 theory is deficient for optimized geometries, such as CN and O 2 + . However, G3//B3LYP does poorly for ionization potentials that involve a Jahn - Teller distortion in the cation (CH 4 + , BF 3 + , BCl 3 + ) because of the B3LYP/6-31G(d) geometries. The G3(MP2) method is also modified to use B3LYP/6-31G(d) geometries and zero-point energies. This variation, referred to as G3(MP2)//B3LYP, has an average absolute deviation of 1.25 kcal/mol compared to 1.30 kcal/mol for G3(MP2) theory. Thus, use of density functional geometries and zero-point energies in G3 and G3(MP2) theories is a useful alternative to MP2 geometries and HF zero-point energies. copyright 1999 American Institute of Physics

  20. Displacement characteristics of a piezoactuator-based prototype microactuator with a hydraulic displacement amplification system

    International Nuclear Information System (INIS)

    Muralidhara; Rao, Rathnamala

    2015-01-01

    In this study, a new piezoactuator-based prototype microactuator is proposed with a hydraulic displacement amplification system. A piezoactuator is used to deflect a diaphragm which displaces a certain volume of hydraulic fluid into a smaller-diameter piston chamber, thereby amplifying the displacement at the other end of the piston. An electro-mechanical model is implemented to estimate the displacement of a multilayer piezoelectric actuator for the applied input voltage considering the hysteresis behavior. The displacement characteristics of the proposed microactuator are studied for triangular actuation voltage signal. Results of the experiments and simulation of the displacement behavior of the stacked piezoactuator and the amplified displacement of the prototype actuator were compared. Experimental results suggest that the mathematical model developed for the new piezoactuator-based prototype actuator is capable of estimating its displacement behavior accurately, within an error of 1.2%.

  1. Displacement characteristics of a piezoactuator-based prototype microactuator with a hydraulic displacement amplification system

    Energy Technology Data Exchange (ETDEWEB)

    Muralidhara [NMAMIT, Nitte (India); Rao, Rathnamala [NITK, Surathkal (India)

    2015-11-15

    In this study, a new piezoactuator-based prototype microactuator is proposed with a hydraulic displacement amplification system. A piezoactuator is used to deflect a diaphragm which displaces a certain volume of hydraulic fluid into a smaller-diameter piston chamber, thereby amplifying the displacement at the other end of the piston. An electro-mechanical model is implemented to estimate the displacement of a multilayer piezoelectric actuator for the applied input voltage considering the hysteresis behavior. The displacement characteristics of the proposed microactuator are studied for triangular actuation voltage signal. Results of the experiments and simulation of the displacement behavior of the stacked piezoactuator and the amplified displacement of the prototype actuator were compared. Experimental results suggest that the mathematical model developed for the new piezoactuator-based prototype actuator is capable of estimating its displacement behavior accurately, within an error of 1.2%.

  2. Stochastic displacement group and its application in physics

    International Nuclear Information System (INIS)

    Namsraj, Kh.; Tsehrehn, D.; Sehrdamba, L.

    1978-01-01

    Within the stochastic displacement the equation of the brownian motion and the Dirac and Klein-Gordon equations are obtained. It is noted that the existance of a new equation describing four states with certain energy is possible. The notion of stochastic groups and its representations with illustrations in concrete examples and applications are given. The diffusion equation is obtained on the basis of the notion of stochastic rotation

  3. Calculation of the number of atoms displaced during the irradiation of monolayer graphene

    International Nuclear Information System (INIS)

    Daniel Codorniu Pujals; Yuri Aguilera Corrales; Francesco Baldassarre

    2011-01-01

    The irradiation of monolayer graphene, combined with chemical functionalization, could be an effective method for modifying its electronic structure and for achieving specific physical properties adjusted to different applications. A difficulty arising during planning and studying the irradiation in this system is that many of the models of interaction of the radiation with the substance cannot be applied to the two-dimensional structure of graphene. In particular, the mathematical expressions available to calculate the number of atoms displaced during the bombardment with particles can be applied only to 3D isotropic solids. In the present work, an alternative analytic expression is presented for the irradiation of graphene with heavy ions or with protons and other light charged particles. The expression was obtained on the basis of the classic theory of dispersion, using a Coulomb potential for the light charged particles and one of Inverse Square for heavy ions. For medium values of the energy of the incident particle a decreasing dependence of the number of displaced atoms with energy is obtained. This behavior, related with the two-dimensional structure of the target, had been observed in other authors' works using computational simulation. (author)

  4. Prolonged displacement may compromise resilience in Eritrean ...

    African Journals Online (AJOL)

    Objective: to assess the impact of prolonged displacement on the resilience of Eritrean mothers. Methods: an adapted SOC scale (short form) was administered. Complementary qualitative data were gathered from study participants' spontaneous reactions to and commentaries on the SOC scale. Results: Displaced ...

  5. Video Games, Adolescents, and the Displacement Effect

    Science.gov (United States)

    Fisher, Carla Christine

    2012-01-01

    The displacement effect (the idea that time spent in one activity displaces time spent in other activities) was examined within the lens of adolescents' video game use and their time spent reading, doing homework, in physically active sports and activities, in creative play, and with parents and friends. Data were drawn from the Panel Study…

  6. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method. Wills and ...

  7. Displaced Homemakers: Vo-Tech Workshop Guide.

    Science.gov (United States)

    Peltier, Wanda Jo

    Written for displaced homemaker programs in vocational-technical schools, this curriculum contains material designed so that instructors can prepare student manuals appropriate to almost any educational support situation for displaced homemakers. An overview provides information on special needs groups, curriculum use, and resources and sample…

  8. 40 CFR 205.153 - Engine displacement.

    Science.gov (United States)

    2010-07-01

    ..., in accordance with American Society for Testing Materials (ASTM) E 29-67. (b) For rotary engines... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Engine displacement. 205.153 Section... TRANSPORTATION EQUIPMENT NOISE EMISSION CONTROLS Motorcycles § 205.153 Engine displacement. (a) Engine...

  9. Non-local energy density functionals: models plus some exact general results

    International Nuclear Information System (INIS)

    March, N.H.

    2001-02-01

    Holas and March (Phys. Rev. A51, 2040, 1995) gave a formally exact expression for the force - δV xc (r-tilde)/δr-tilde associated with the exchange-correlation potential V xc (r-tilde) of density functional theory. This forged a precise link between first- and second-order density matrices and V xc (r-tilde). Here models are presented in which these low-order matrices can be related to the ground-state electron density. This allows non-local energy density functionals to be constructed within the framework of such models. Finally, results emerging from these models have led to the derivation of some exact 'nuclear cusp' relations for exchange and correlation energy densities in molecules, clusters and condensed phases. (author)

  10. The calculations of small molecular conformation energy differences by density functional method

    Science.gov (United States)

    Topol, I. A.; Burt, S. K.

    1993-03-01

    The differences in the conformational energies for the gauche (G) and trans(T) conformers of 1,2-difluoroethane and for myo-and scyllo-conformer of inositol have been calculated by local density functional method (LDF approximation) with geometry optimization using different sets of calculation parameters. It is shown that in the contrast to Hartree—Fock methods, density functional calculations reproduce the correct sign and value of the gauche effect for 1,2-difluoroethane and energy difference for both conformers of inositol. The results of normal vibrational analysis for1,2-difluoroethane showed that harmonic frequencies calculated in LDF approximation agree with experimental data with the accuracy typical for scaled large basis set Hartree—Fock calculations.

  11. Functional integration of vertical flight path and speed control using energy principles

    Science.gov (United States)

    Lambregts, A. A.

    1984-01-01

    A generalized automatic flight control system was developed which integrates all longitudinal flight path and speed control functions previously provided by a pitch autopilot and autothrottle. In this design, a net thrust command is computed based on total energy demand arising from both flight path and speed targets. The elevator command is computed based on the energy distribution error between flight path and speed. The engine control is configured to produce the commanded net thrust. The design incorporates control strategies and hierarchy to deal systematically and effectively with all aircraft operational requirements, control nonlinearities, and performance limits. Consistent decoupled maneuver control is achieved for all modes and flight conditions without outer loop gain schedules, control law submodes, or control function duplication.

  12. Energy-momentum tensor correlation function in Nf = 2 + 1 full QCD at finite temperature

    Science.gov (United States)

    Taniguchi, Yusuke; Ejiri, Shinji; Kanaya, Kazuyuki; Kitazawa, Masakiyo; Suzuki, Asobu; Suzuki, Hiroshi; Umeda, Takashi

    2018-03-01

    We measure correlation functions of the nonperturbatively renormalized energy-momentum tensor in Nf = 2 + 1 full QCD at finite temperature by applying the gradient flow method both to the gauge and quark fields. Our main interest is to study the conservation law of the energy-momentum tensor and to test whether the linear response relation is properly realized for the entropy density. By using the linear response relation we calculate the specific heat from the correlation function. We adopt the nonperturba-tively improved Wilson fermion and Iwasaki gauge action at a fine lattice spacing = 0:07 fm. In this paper the temperature is limited to a single value T ≃ 232 MeV. The u, d quark mass is rather heavy with mπ=mρ ≃ 0:63 while the s quark mass is set to approximately its physical value.

  13. Energy-momentum tensor correlation function in Nf = 2 + 1 full QCD at finite temperature

    Directory of Open Access Journals (Sweden)

    Taniguchi Yusuke

    2018-01-01

    Full Text Available We measure correlation functions of the nonperturbatively renormalized energy-momentum tensor in Nf = 2 + 1 full QCD at finite temperature by applying the gradient flow method both to the gauge and quark fields. Our main interest is to study the conservation law of the energy-momentum tensor and to test whether the linear response relation is properly realized for the entropy density. By using the linear response relation we calculate the specific heat from the correlation function. We adopt the nonperturba-tively improved Wilson fermion and Iwasaki gauge action at a fine lattice spacing = 0:07 fm. In this paper the temperature is limited to a single value T ≃ 232 MeV. The u, d quark mass is rather heavy with mπ=mρ ≃ 0:63 while the s quark mass is set to approximately its physical value.

  14. Effective coupling functions extracted from the scattering experiments with polarized protons at moderate energies

    International Nuclear Information System (INIS)

    Barut, A.O.; Anders, T.B.; Jachmann, W.

    1992-06-01

    The experimental data for the polarization asymmetries of pp-scattering available at the scattering angle θ = 90 deg. and at various moderate energies, as well as at E = 2.4434 GeV and various scattering angles are described by smooth phenomenological coupling functions for scalar, vector, tensor and the ''magnetic moment'' couplings as well as the corresponding parity conserving axial couplings. The analysis shows a predominant role of the ''axial magnetic moment'', the axial scalar, and the axial vector interactions. Moreover, the data contain oscillations of the type sin(qw 0 -π)/(qw 0 -π), where q is the square root of the energy-momentum transfer. The oscillations have amplitudes of 5%, and a constant frequency w o = 2π/0.88 m p . They arise from oscillating modulations up to 25% of the non-axial coupling functions. 8 refs, 21 figs, 4 tabs

  15. The Role of Functional Flexibility to Improve Energy Efficiency in Energy Consumption of the Case Borojerdiha house in Kashan

    Directory of Open Access Journals (Sweden)

    Mohammad Javad Mahdavinejad

    2015-03-01

    Full Text Available Man raises level of his needs by falsifying the nature and construction of the built spaces. By examining various aspects and complex dimensions of the human, variable and different needs can be clearly seen. Therefore, an architectural construction, especially housing, should be able to set the access conditions to meet the highest level of the needs and achieve to the highest level of responsiveness to the needs of users. Thus, conditions such as flexibility, adaptability, variability and all the principles that lead to generate opportunities and capacities proportional to user's needs in a building has been double necessary. With looking at the traditional architecture, we find that, despite the limitations in manufacturing technology, the architects used their own strategies for responding to existing problems. Strategies such as the use of multi-functional space, embedding spaces in the three scales of tiny, medium and large scales as well as ability to separate or merge spaces, are some of these items. By knowing, however, Iran's traditional home space is flexible, in this study, we sought to answer the question whether this flexibility in space has a role in the amount of energy consumption of the building? If there is, it has an increasing or decreasing role? In order to answer this question, several examples of traditional houses in the hot and dry climates is simulated that, due to brevity it is not expressed in this study. Among them, for example, is expressed Boroujerdi House and energy consumption of the existing state compared with when a space had not seasonal versatility. Finally, it is concluded that flexibility, reduce energy consumption in traditional buildings.

  16. Internal displacement in Colombia: Fifteen distinguishing features.

    Science.gov (United States)

    Shultz, James M; Ceballos, Ángela Milena Gómez; Espinel, Zelde; Oliveros, Sofia Rios; Fonseca, Maria Fernanda; Florez, Luis Jorge Hernandez

    2014-01-01

    This commentary aims to delineate the distinguishing features of conflict-induced internal displacement in the nation of Colombia, South America. Even as Colombia is currently implementing a spectrum of legal, social, economic, and health programs for "victims of armed conflict," with particular focus on internally displaced persons (IDPs), the dynamics of forced migration on a mass scale within this country are little known beyond national borders.   The authors of this commentary are embarking on a global mental health research program in Bogota, Colombia to define best practices for reaching the displaced population and implementing sustainable, evidence-based screening and intervention for common mental disorders. Presenting the defining characteristics of internal displacement in Colombia provides the context for our work and, more importantly, conveys the compelling and complex nature of this humanitarian crisis. We attempt to demonstrate Colombia's unique position within the global patterning of internal displacement.

  17. Asymmetric SOL Current in Vertically Displaced Plasma

    Science.gov (United States)

    Cabrera, J. D.; Navratil, G. A.; Hanson, J. M.

    2017-10-01

    Experiments at the DIII-D tokamak demonstrate a non-monotonic relationship between measured scrape-off layer (SOL) currents and vertical displacement event (VDE) rates with SOL currents becoming largely n=1 dominant as plasma is displaced by the plasma control system (PCS) at faster rates. The DIII-D PCS is used to displace the magnetic axis 10x slower than the intrinsic growth time of similar instabilities in lower single-null plasmas. Low order (n VDE instabilities observed when vertical control is disabled. Previous inquiry shows VDE asymmetry characterized by SOL current fraction and geometric parameters of tokamak plasmas. We note that, of plasmas displaced by the PCS, short displacement time scales near the limit of the PCS temporal control appear to result in larger n=1/n=2 asymmetries. Work supported under USDOE Cooperative Agreement DE-FC02-04ER54698 and DE-FG02-04ER54761.

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

    Science.gov (United States)

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

    2018-01-01

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

  19. Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au

    KAUST Repository

    Boll, Torben

    2012-10-01

    In this article the Cu-Au binding energy in Cu3Au is determined by comparing experimental atom probe tomography (APT) results to simulations. The resulting bonding energy is supported by density functional theory calculations. The APT simulations are based on the Müller-Schottky equation, which is modified to include different atomic neighborhoods and their characteristic bonds. The local environment is considered up to the fifth next nearest neighbors. To compare the experimental with simulated APT data, the AtomVicinity algorithm, which provides statistical information about the positions of the neighboring atoms, is applied. The quality of this information is influenced by the field evaporation behavior of the different species, which is connected to the bonding energies. © Microscopy Society of America 2012.

  20. Neural-net based unstable machine identification using individual energy functions. [Transient disturbances in power systems

    Energy Technology Data Exchange (ETDEWEB)

    Djukanovic, M [Institut Nikola Tesla, Belgrade (Yugoslavia); Sobajic, D J; Pao, Yohhan [Case Western Reserve Univ., Cleveland, OH (United States)

    1991-10-01

    The identification of the mode of instability plays an essential role in generating principal energy boundary hypersurfaces. We present a new method for unstable machine identification based on the use of supervised learning neural-net technology, and the adaptive pattern recognition concept. It is shown that using individual energy functions as pattern features, appropriately trained neural-nets can retrieve the reliable characterization of the transient process including critical clearing time parameter, mode of instability and energy margins. Generalization capabilities of the neural-net processing allow for these assessments to be made independently of load levels. The results obtained from computer simulations are presented using the New England power system, as an example. (author).