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Sample records for energy displacement function

  1. Energy displacement function as a signature for octupole deformation in excited states

    CERN Document Server

    Raduta, A A; Ursu, I I

    2003-01-01

    Energies for three positive and three negative parity bands predicted by the extended coherent states model (ECSM) in sup 2 sup 2 sup 6 Ra are calculated and used to point out new signatures for octupole deformation in ground as well as in beta and gamma bands. A beat pattern is found by using a new displacement energy function which is more appropriate for a spectrum which exhibits large deviation from a linear J(J+1) dependence. The stability against octupole deformation is revisited from a new point of view. (authors)

  2. Altered mandibular growth under functional posterior displacement in rats

    OpenAIRE

    Farias-Neto, A; Martins, APVB; Figueroba, SR; Groppo, FC; Almeida, SM; Rizzatti-Barbosa, CM

    2012-01-01

    Objective: To test the null hypothesis that there is no difference in mandibular growth between growing rats with posterior functional mandibular displacement and growing rats without functional mandibular displacement. Materials and Methods: Twenty female Wistar rats (5 weeks old) were randomized into two groups: (1) control and (2) mandible posterior displacement in the occluded condition induced by an occlusal guiding appliance. After 8 weeks all animals were sacrificed, cone beam computed...

  3. A displaced-solvent functional analysis of model hydrophobic enclosures.

    Science.gov (United States)

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

    2010-08-20

    Calculation of protein-ligand binding affinities continues to be a hotbed of research. Although many techniques for computing protein-ligand binding affinities have been introduced--ranging from computationally very expensive approaches, such as free energy perturbation (FEP) theory; to more approximate techniques, such as empirically derived scoring functions, which, although computationally efficient, lack a clear theoretical basis--there remains pressing need for more robust approaches. A recently introduced technique, the displaced-solvent functional (DSF) method, was developed to bridge the gap between the high accuracy of FEP and the computational efficiency of empirically derived scoring functions. In order to develop a set of reference data to test the DSF theory for calculating absolute protein-ligand binding affinities, we have pursued FEP theory calculations of the binding free energies of a methane ligand with 13 different model hydrophobic enclosures of varying hydrophobicity. The binding free energies of the methane ligand with the various hydrophobic enclosures were then recomputed by DSF theory and compared with the FEP reference data. We find that the DSF theory, which relies on no empirically tuned parameters, shows excellent quantitative agreement with the FEP. We also explored the ability of buried solvent accessible surface area and buried molecular surface area models to describe the relevant physics, and find the buried molecular surface area model to offer superior performance over this dataset.

  4. 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.

  5. 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.

  6. 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.

  7. Morphologic, functional, and occlusal characterization of mandibular lateral displacement malocclusion.

    Science.gov (United States)

    Ishizaki, Kyoko; Suzuki, Koichi; Mito, Tomofumi; Tanaka, Eliana Midori; Sato, Sadao

    2010-04-01

    Mandibular lateral displacement (MLD) is clinically characterized by deviation of the chin, facial asymmetry, dental midline discrepancy, crossbite in the posterior region, and high prevalence of internal derangement of the temporomandibular joint. Morphologic and functional characteristics of MLD should be clarified to correct and prevent this malocclusion. We examined the morphologic features, occlusal scheme, and functional behavior of MLD in 116 patients. Facial morphology was examined with posteroanterior cephalograms, occlusion guidance on the articulator after face-bow transfer, and condylar movement with the condylograph. The superiorly inclined occlusal plane was associated with mandibular deviation in the same direction. The posterior occlusal plane on the shifted side was significantly steeper than that on the nonshifted side. Functional analysis of condylar movement showed a close relationship between the direction of MLD and the direction of condylar lateral shift during opening and closing, and protrusion and retrusion. The occlusal guidance inclination in the buccal segment of the nonshifted side was steeper than that in the shifted side. The results suggested that reduced vertical height of the dentition on 1 side induced mandibular lateral adaptation with contralateral condylar shift (asymmetry); this leads to condylar lateral shift during functional movement. Copyright (c) 2010 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.

  8. 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

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

    Science.gov (United States)

    Griffin, Patrick; Rochman, Dimitri; Koning, Arjan

    2017-09-01

    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.

  10. 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.

  11. Tsunami Energy, Ocean-Bottom Pressure, and Hydrodynamic Force from Stochastic Bottom Displacement

    Science.gov (United States)

    Ramadan, Khaled T.; Omar, M. A.; Allam, Allam A.

    2017-03-01

    Tsunami generation and propagation due to a randomly fluctuating of submarine earthquake modeled by vertical time-dependent of a stochastic bottom displacement are investigated. The increase in oscillations and amplitude in the free surface elevation are controlled by the noise intensity parameter of the stochastic bottom displacement. Evolution of kinetic and potential energy of the resulting waves by the stochastic bottom displacement is examined. Exchange between potential and kinetic energy was achieved in the propagation process. The dynamic ocean-bottom pressure during tsunami generation is investigated. As the vertical displacement of the stochastic bottom increases, the peak amplitude of the ocean-bottom pressure increases through the dynamic effect. Time series of the maximum tsunami wave amplitude, kinetic and potential energy, wave and ocean-bottom pressure gauges and the hydrodynamic force caused by the stochastic source model under the effect of the water depth of the ocean are investigated.

  12. Simulation of energy and fluence dependence of heavy ion induced displacement damage factor in bipolar junction transistor

    Science.gov (United States)

    Kulkarni, S. R.; Ravindra, M.; Joshi, G. R.; Damle, R.

    2004-05-01

    This article presents the theoretical calculation of the variation of displacement damage factors as a function of energy and rad equivalent fluence in bipolar junction transistor for various particulate radiation viz ., He, Si, Cl, Ti, Ni, Br, Ag, I, and Au. The calculation is based on the experimental data on gamma-ray induced gain degradation in a commercial space borne BJT (2N3019). The method involves the calculation of gamma-ray dose (rad(Si)) equivalent of effective particle fluence. The linear energy transfer (LET) in silicon for different particle radiation obtained from TRIM calculation has been used for the conversion of gamma-dose into fluence of various particles. The estimation predicts a smooth increase in the displacement damage factor as the mass of the ion increases. Further, the displacement damage factor reaches a maximum at the same value of energy, which corresponds to maximum LET for all heavy ions. The maximum value of damage factor marginally decreases with increasing ion fluence for an ion of given energy. The results are compared with the data available in the literature for proton, deuteron, and helium induced displacement damage.

  13. Force-free magnetic fields - Generating functions and footpoint displacements

    Science.gov (United States)

    Wolfson, Richard; Verma, Ritu

    1991-01-01

    This paper presents analytic and numerical calculations that explore equilibrium sequences of bipolar force-free magnetic fields in relation to displacments of their magnetic footpoints. It is shown that the appearance of magnetic islands - sometimes interpreted as marking the loss of equilibrium in models of the solar atmosphere - is likely associated only with physically unrealistic footpoint displacements such as infinite separation or 'tearing' of the model photosphere. The work suggests that the loss of equilibrium in bipolar configurations, sometimes proposed as a mechanism for eruptive solar events, probably requires either fully three-dimensional field configurations or nonzero plasma pressure. The results apply only to fields that are strictly bipolar, and do not rule out equilibrium loss in more complex structures such as quadrupolar fields.

  14. Fruits and vegetables displace, but do not decrease, total energy in school lunches.

    Science.gov (United States)

    Bontrager Yoder, Andrea B; Schoeller, Dale A

    2014-08-01

    The high overweight and obesity prevalence among US children is a well-established public health concern. Diet is known to play a causal role in obesity. Increasing fruit and vegetable (FV) consumption to recommended levels is proposed to help reduce obesity, because their bulk and low energy density are believed to reduce energy-dense food consumption (volume displacement hypothesis). This study tests this hypothesis at the lunch meal among upper-elementary students participating in a Farm to School (F2S) program. Digital photographs of students' school lunch trays were visually analyzed to identify the food items and amounts that were present and consumed before and after the meal. Using the USDA Nutrient Database, total and FV-only energy were calculated for each tray. Analysis of total- and non-FV energy intake was performed according to (1) levels of FV energy intake, (2) FV energy density, and (3) previous years of Farm to School programming. Higher intake of FV energy displaced non-FV energy, but total energy did not decrease across FV energy intake groups. High-FV-energy-density trays showed lower non-FV energy intake than low-FV-energy-density trays (470±179 vs. 534±219 kcal; pschools with more previous years of F2S programming decreased total and non-FV energy intake from school lunches (p for trend<0.0001, both). Increased FV consumption reduces non-FV energy intake, but does not reduce total energy intake. Therefore, this study does not support the volume displacement hypothesis and suggests calorie displacement instead.

  15. 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.

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

    Science.gov (United States)

    Hu, Yuanan; Cheng, Hefa

    2017-01-01

    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. PMID:28211467

  17. 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.

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

    Science.gov (United States)

    Vladimirov, P. V.; Borodin, V. A.

    2017-02-01

    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, Ed, which is considered as an intrinsic material parameter. In this work the value of Ed 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.

  19. Comparison of mixing and displacement ventilation in a low energy office building during heating season

    DEFF Research Database (Denmark)

    Fang, Lei; Olesen, Bjarne W.; Wu, Xiaozhou

    2014-01-01

    ventilation compared to those for displacement ventilation. Due to the heat emission from equipments and occupants, heating system was not needed in the low energy office building in a mild winter. In such a situation, indoor thermal environment was still acceptable in terms of the general thermal comfort......The present study investigated the performance of mixing and displacement ventilation systems in a low energy office building during heating season. Measurements were performed with regard to air distribution and ventilation effectiveness. The results show that indoor air temperatures in occupied...

  20. 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.

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

    National Research Council Canada - National Science Library

    Saket Jati; Dev Padia

    2016-01-01

    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...

  2. Functional outcome following proximal humeral interlocking system plating for displaced proximal humeral fractures

    OpenAIRE

    Thyagarajan David; Haridas Samarth; Jones Denise; Dent Colin; Evans Richard; Williams Rhys

    2009-01-01

    Aim: To assess the functional outcome following internal fixation with the PHILOS (proximal humeral interlocking system) for displaced proximal humeral fractures. Patients and Methods: We reviewed 30 consecutive patients treated surgically with the proximal humeral locking plate for a displaced proximal humeral fracture. Functional outcome was determined using the American Shoulder and Elbow Society (ASES) score and Constant Murley score. Results: Average age of the patients was 58 years...

  3. 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.

  4. [The influences of anterior disc displacement on oral mandibular function and morphology and their biological mechanisms].

    Science.gov (United States)

    Xia, Wendi; Fu, Kiayuan

    2016-03-01

    Anterior disc displacement is a common subtype seen in temporomandibular disorders (TMD) patients. It may cause mandibular movement disorders, such as clicking of joint, intermittent closed lock, limitation of mouth opening, etc. These disorders may affect the life qualities of patients. Anterior disc displacement may also cause mandibular malformations, especially among adolescents, which may affect the growth of condyle, therefore may have a correlation with mandibular retrusion or mandibular deviation when grown up. This paper going to review the influences of anterior disc displacement on oral mandibular function and morphology and their biological mechanisms.

  5. Applications of Displacement Transfer Functions to Deformed Shape Predictions of the GIII Swept-Wing Structure

    Science.gov (United States)

    Lung, Shun-Fat; Ko, William L.

    2016-01-01

    The displacement transfer functions (DTFs) were applied to the GIII swept wing for the deformed shape prediction. The calculated deformed shapes are very close to the correlated finite element results as well as the measured data. The convergence study showed that using 17 strain stations, the wing-tip displacement prediction error was 1.6 percent, and that there is no need to use a large number of strain stations for G-III wing shape predictions.

  6. Potential energy function (PEF)

    Science.gov (United States)

    Guelachvili, G.

    This document is part of Subvolume B `Linear Triatomic Molecules', Part 9, of Volume 20 `Molecular Constants mostly from Infrared Spectroscopy' of Landolt-Börnstein Group II `Molecules and Radicals'. Part of the introduction, it discusses the potential energy function (PEF) of linear molecules, including the PEF expanded as Taylor series, the transformation of the PEF to curvilinear valence coordinates, Morse functions and dimensionless normal coordinates, as well as specific forms of the PEF.

  7. Curved Displacement Transfer Functions for Geometric Nonlinear Large Deformation Structure Shape Predictions

    Science.gov (United States)

    Ko, William L.; Fleischer, Van Tran; Lung, Shun-Fat

    2017-01-01

    For shape predictions of structures under large geometrically nonlinear deformations, Curved Displacement Transfer Functions were formulated based on a curved displacement, traced by a material point from the undeformed position to deformed position. The embedded beam (depth-wise cross section of a structure along a surface strain-sensing line) was discretized into multiple small domains, with domain junctures matching the strain-sensing stations. Thus, the surface strain distribution could be described with a piecewise linear or a piecewise nonlinear function. The discretization approach enabled piecewise integrations of the embedded-beam curvature equations to yield the Curved Displacement Transfer Functions, expressed in terms of embedded beam geometrical parameters and surface strains. By entering the surface strain data into the Displacement Transfer Functions, deflections along each embedded beam can be calculated at multiple points for mapping the overall structural deformed shapes. Finite-element linear and nonlinear analyses of a tapered cantilever tubular beam were performed to generate linear and nonlinear surface strains and the associated deflections to be used for validation. The shape prediction accuracies were then determined by comparing the theoretical deflections with the finiteelement- generated deflections. The results show that the newly developed Curved Displacement Transfer Functions are very accurate for shape predictions of structures under large geometrically nonlinear deformations.

  8. Displacement as a predictor of functional impairment in tsunami-exposed children.

    Science.gov (United States)

    Lee, Christopher; Du, Ye Beverly; Christina, Desy; Palfrey, Judith; O'Rourke, Edward; Belfer, Myron

    2015-01-01

    Thirty months after the Indian Ocean tsunami of 26 December 2004, thousands of families in Aceh Province, Indonesia, remained in temporary barracks while sanitation conditions and non-governmental organisation support deteriorated. This study sought to determine the factors associated with functional impairment in a sample of 138 displaced and non-displaced Acehnese children. Using multivariate linear regression models, it was found that displacement distance was a consistent predictor of impairment using the Brief Impairment Scale. Exposure to tsunami-related trauma markers was not significantly linked with impairment in the model. Paternal employment was a consistent protective factor for child functioning. These findings suggest that post-disaster displacement and the subsequent familial economic disruption are significant predictors of impaired functioning in children's daily activities. Post-disaster interventions should consider the disruption of familiar environments for families and children when relocating vulnerable populations to avoid deleterious impacts on children's functioning. © 2014 The Author(s). Disasters © Overseas Development Institute, 2014.

  9. Fall with Linear Drag and Wien's Displacement Law: Approximate Solution and Lambert Function

    Science.gov (United States)

    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…

  10. 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

    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......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...

  11. 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

    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...... 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....... 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...

  12. Optimal Load and Stiffness for Displacement-Constrained Vibration Energy Harvesters

    CERN Document Server

    Halvorsen, Einar

    2016-01-01

    The power electronic interface to a vibration energy harvester not only provides ac-dc conversion, but can also set the electrical damping to maximize output power under displacement-constrained operation. This is commonly exploited for linear two-port harvesters by synchronous switching to realize a Coulomb-damped resonant generator, but has not been fully explored when the harvester is asynchronously switched to emulate a resistive load. In order to understand the potential of such an approach, the optimal values of load resistance and other control parameters need to be known. In this paper we determine analytically the optimal load and stiffness of a harmonically driven two-port harvester with displacement constraints. For weak-coupling devices, we do not find any benefit of load and stiffness adjustment beyond maintaining a saturated power level. For strong coupling we find that the power can be optimized to agree with the velocity damped generator beyond the first critical force for displacement-constra...

  13. 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.

  14. Subdiffusive behavior in a trapping potential: mean square displacement and velocity autocorrelation function.

    Science.gov (United States)

    Despósito, M A; Viñales, A D

    2009-08-01

    A theoretical framework for analyzing stochastic data from single-particle tracking in viscoelastic materials and under the influence of a trapping potential is presented. Starting from a generalized Langevin equation, we found analytical expressions for the two-time dynamics of a particle subjected to a harmonic potential. The mean-square displacement and the velocity autocorrelation function of the diffusing particle are given in terms of the time lag. In particular, we investigate the subdiffusive case. Using a power-law memory kernel, exact expressions for the mean-square displacement and the velocity autocorrelation function are obtained in terms of Mittag-Leffler functions and their derivatives. The behaviors for short-, intermediate-, and long-time lags are investigated in terms of the involved parameters. Finally, the validity of usual approximations is examined.

  15. Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation

    OpenAIRE

    Proffen, Th.

    2000-01-01

    Many disordered crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF). The viability of reverse Monte Carlo (RMC) simulations to extract quantitative information about chemical ordering as well as displacements is investigated. The method has been applied to simulated PDFs of disordered structures showing chemical disorder alone as well as in combination w...

  16. Comparison of functional bracing and locked intramedullary nailing in the treatment of displaced tibial shaft fractures.

    Science.gov (United States)

    Alho, A; Benterud, J G; Høgevold, H E; Ekeland, A; Strømsøe, K

    1992-04-01

    Thirty-five displaced tibial shaft fractures, treated with functional bracing were compared with 43 similar fractures, treated with locked intramedullary nailing. There were 22 excellent/good results in the brace group and 38 in the nail group. There was one infection in the brace group and three in the nailed group. There were five delayed unions and two nonunions in the brace group and one delayed union in the nail group. The functional results in the nailed group were better than the braced group but locked intramedullary nailing of tibial shaft fractures require special resources and training. Locked intramedullary nailing fullfils all the functional criteria for acceptable fracture care.

  17. 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.

  18. 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)....

  19. Large-Deformation Displacement Transfer Functions for Shape Predictions of Highly Flexible Slender Aerospace Structures

    Science.gov (United States)

    Ko, William L.; Fleischer, Van Tran

    2013-01-01

    Large deformation displacement transfer functions were formulated for deformed shape predictions of highly flexible slender structures like aircraft wings. In the formulation, the embedded beam (depth wise cross section of structure along the surface strain sensing line) was first evenly discretized into multiple small domains, with surface strain sensing stations located at the domain junctures. Thus, the surface strain (bending strains) variation within each domain could be expressed with linear of nonlinear function. Such piecewise approach enabled piecewise integrations of the embedded beam curvature equations [classical (Eulerian), physical (Lagrangian), and shifted curvature equations] to yield closed form slope and deflection equations in recursive forms.

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

    DEFF Research Database (Denmark)

    Giebel, Gregor

    2007-01-01

    Wind energy generation distributed all over Europe is less variable than generation from a single region. To analyse the benefits of distributed generation, the whole electrical generation system of Europe has been modelled including varying penetrations of wind power. The model is chronologically...... 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...... where the pump storage plants are used more aggressively and the other where all German nuclear plants are shut off NCEP/NCAR reanalysis data have been used to recreate the same averaged time series from a data set spanning 34 years. Through this it is possible to set the year studied in detail...

  1. 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

  2. Coulomb displacement energies and isospin-nonconservation for fp-shell nuclei

    Science.gov (United States)

    Ormand, William; Kruse, Michael; Borwn, Alex; Hjorth-Jensen, Morten

    2013-10-01

    A new isospin nonconserving (INC) interaction for fp-shell nuclei is determined empirically by fitting to experimental Coulomb displacement energies. This interaction is based on the Coulomb interaction as well as charge-asymmetric and charge-dependent components in the nucleon-nucleon sector as found in realistic nucleon interactions such as CD-Bonn and effective field theory at N3LO. The INC components arising from the nucleon-nucleon interaction were determined through a renormalization procedure from a G-matrix calculation as well as many-body perturbation theory. The overall strength of these components is tuned to reproduce experimental b- and c-coefficients of the isosbaric mass multiplet equation. A new feture of this interaction is that where possible calculations were performed using the full fp-shell; made possible with recent advances in shell-model codes and high-performance computing. With this interaction, isospin-mixing effects in the fp-shell are estimated including a new calculation of isospin-mixing corrections for Fermi transitions in the fp-shell. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC.

  3. Evaluated displacement and gas production cross-sections for materials irradiated with intermediate energy nucleons

    Directory of Open Access Journals (Sweden)

    Konobeyev Alexander Yu.

    2017-01-01

    Full Text Available Atomic displacement and gas production cross-sections were obtained for a number of materials to calculate radiation damage and gas production rate in nuclear- and fusion reactors, and neutron spallation sources. An advanced atomistic modelling approach was applied for calculations of the number of stable displacements in materials.

  4. Microscopically Based Nuclear Energy Functionals

    Science.gov (United States)

    Bogner, S. K.

    2009-05-01

    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.

  5. Non-surgical functional treatment for displaced olecranon fractures in the elderly.

    Science.gov (United States)

    Gallucci, G L; Piuzzi, N S; Slullitel, P A I; Boretto, J G; Alfie, V A; Donndorff, A; De Carli, P

    2014-04-01

    We retrospectively evaluated the clinical and radiological outcomes of a consecutive cohort of patients aged > 70 years with a displaced fracture of the olecranon, which was treated non-operatively with early mobilisation. We identified 28 such patients (27 women) with a mean age of 82 years (71 to 91). The elbow was initially immobilised in an above elbow cast in 90° of flexion of the elbow for a mean of five days. The cast was then replaced by a sling. Active mobilisation was encouraged as tolerated. No formal rehabilitation was undertaken. At a mean follow-up of 16 months (12 to 26), the mean ranges of flexion and extension were 140° and 15° respectively. On a visual analogue scale of 1 (no pain) to 10, the mean pain score was 1 (0 to 8). Of the original 28 patients 22 developed nonunion, but no patients required surgical treatment. We conclude that non-operative functional treatment of displaced olecranon fractures in the elderly gives good results and a high rate of satisfaction.

  6. Effects of anterior tibial displacement on the proprioceptive functions of soccer players` knee joints.

    Science.gov (United States)

    Cetin, Cem; Guner, Rustu; Kunduracioglu, Burak; Ulkar, Bulent

    2006-04-01

    To investigate the effects of joint laxity on proprioceptive functions of the knee joints of soccer players. In this study, we measured anterior tibial displacements and thresholds to detect the knee joint passive motion of 20 healthy soccer players (18.1+/-1.6 years of age). We performed all the measurements in Autumn 2000 in Ankara, Turkey. We applied the Mann-Whitney U test to analyze the relationship between the anterior tibial displacement and threshold to detect the passive motion (TDPM). There were no statistically significant differences between the TDPM values of the knee joints with insignificant laxity differences at different angles, and direction of motion (p>0.05). At 45 degrees of knee flexion and externally directed motion, we found the TDPM of looser knees to be significantly greater (p<0.05). Increased knee laxities without any clinical pathologic findings, have negative effects on knee joint proprioception. This is possibly due to the overuse degeneration of the anterior cruciate ligaments, which are the main stabilizers of knee joints.

  7. Variable-Domain Displacement Transfer Functions for Converting Surface Strains into Deflections for Structural Deformed Shape Predictions

    Science.gov (United States)

    Ko, William L.; Fleischer, Van Tran

    2015-01-01

    Variable-Domain Displacement Transfer Functions were formulated for shape predictions of complex wing structures, for which surface strain-sensing stations must be properly distributed to avoid jointed junctures, and must be increased in the high strain gradient region. Each embedded beam (depth-wise cross section of structure along a surface strain-sensing line) was discretized into small variable domains. Thus, the surface strain distribution can be described with a piecewise linear or a piecewise nonlinear function. Through discretization, the embedded beam curvature equation can be piece-wisely integrated to obtain the Variable-Domain Displacement Transfer Functions (for each embedded beam), which are expressed in terms of geometrical parameters of the embedded beam and the surface strains along the strain-sensing line. By inputting the surface strain data into the Displacement Transfer Functions, slopes and deflections along each embedded beam can be calculated for mapping out overall structural deformed shapes. A long tapered cantilever tubular beam was chosen for shape prediction analysis. The input surface strains were analytically generated from finite-element analysis. The shape prediction accuracies of the Variable- Domain Displacement Transfer Functions were then determined in light of the finite-element generated slopes and deflections, and were fofound to be comparable to the accuracies of the constant-domain Displacement Transfer Functions

  8. Simulations of threshold displacement in beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, Matthew L. [Centre for Nuclear Engineering, Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Culham Centre for Fusion Energy, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB (United Kingdom); Fossati, Paul C. M.; Grimes, Robin W. [Centre for Nuclear Engineering, Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom)

    2016-07-28

    Atomic scale molecular dynamics simulations of radiation damage have been performed on beryllium. Direct threshold displacement simulations along a geodesic projection of directions were used to investigate the directional dependence with a high spatial resolution. It was found that the directionally averaged probability of displacement increases from 0 at 35 eV, with the energy at which there is a 50% chance of a displacement occurring is 70 eV and asymptotically approaching 1 for higher energies. This is, however, strongly directionally dependent with a 50% probability of displacement varying from 35 to 120 eV, with low energy directions corresponding to the nearest neighbour directions. A new kinetic energy dependent expression for the average maximum displacement of an atom as a function of energy is derived which closely matches the simulated data.

  9. Radiation degradation prediction for InGaP solar cells by using appropriate estimation method for displacement threshold energy

    Science.gov (United States)

    Okuno, Y.; Okuda, S.; Akiyoshi, M.; Oka, T.; Harumoto, M.; Omura, K.; Kawakita, S.; Imaizumi, M.; Messenger, S. R.; Lee, K. H.; Yamaguchi, M.

    2017-09-01

    InGaP solar cells are not predicted to be susceptible to displacement damage by irradiation with electrons at energies lower than 100 keV from non-ionizing energy loss (NIEL) calculations. However, it is recently observed that InGaP solar cells are shown to degrade by irradiation with 60 keV electrons. This degradation is considered to be caused by radiation defects but is not clear. In this study, the kind of the defects generated by electrons at energies lower than 100 keV is found by deep-level transient spectroscopy (DLTS). The result of DLTS indicates that the prediction of primary knock-on atoms by using the radiation damage model is different from the experiment. In order to suggest the generation mechanism of radiation defects, we propose a new displacement threshold energy (Ed) by using a new technique in which NIEL and the introduction rate of radiation defects are combined. The degradation prediction by using estimated Ed is found to agree well with the degradation of electric power of InGaP solar cells irradiated by low-energy electrons. From the theory of radiation defects, we propose a new obtaining process of suitable degradation prediction by the displacement damage dose method.

  10. The impact of displacement on the expression of depressive disorder and social functioning among the war refugees.

    Science.gov (United States)

    Radanović-Grgurić, Ljiljana; Barkić, Jelena; Filaković, Pavo; Koić, Oliver; Laufer, Davor; Petek, Anamarija; Mandić, Nikola

    2009-12-01

    Our research objective was to estimate the characteristics of major depressive disorder and social adaptation of women displaced during the war in Croatia in the early 1990s. We aimed to establish the relationship between major depressive disorder and displacement and study its impact on the outcome of depression in order to improve treatment and avoid possible complications. A group of 20 women, 35 to 55 years of age, displaced some time during the 199l.-1995. war in Croatia were compared to 27 women of the same age but with no experience of exile. All the patients suffered from major depressive disorder based upon DSM-IV diagnostic criteria. The Hamilton Rating Scale for Depression, the Zung Self Rating Depression Scale and the Social Adaptation Self-evaluation Scale were used. The objective intensity of depression of the displaced significantly decreased over time but not their personal experience of depression. All depressed patients manifested poor social adaptation. Many aspects of social functioning remained poor even after the improvement of depressive disorder. Displacement characteristics were: the length of time spent in exile, the place, and the circumstances of displacement regarding the members of the family accompanying the displaced women. These characteristics significantly influenced the expression of their major depressive disorder as well as social functioning. Displaced persons/refugees are at high risk of developing depressive disorder. Recognition of all risk factors and early diagnosis of depressive disorder followed by appropriate treatment could decrease the risk of chronic and complicated depression as well as the risk of poor social adaptation.

  11. Functional and quality-of-life results of displaced and nondisplaced proximal humeral fractures treated conservatively.

    Science.gov (United States)

    Torrens, Carlos; Corrales, Monica; Vilà, Gemma; Santana, Fernando; Cáceres, Enrique

    2011-10-01

    Functional and quality-of-life outcomes of conservatively treated proximal humeral fractures. Prospective study. University orthopedic department at a hospital. Seventy consecutive patients between the ages of 60 and 85 years. Conservative treatment. Functional outcome measured according to the Constant score, quality of life assessed using EuroQol-5D, and fracture pattern analyzed with x-ray and computed tomography scan. : All fractures consolidated uneventfully with no loss of reduction in either group. Four-part fractures obtained the worst functional results (33.66) followed by three-part fractures (54.64) and finally two-part fractures (65.88 and 71). Mild pain was expected in three- and four-part fractures, whereas two-part fractures achieved near complete pain relief. Nondisplaced fractures obtained a final Constant score of 73.58 and displaced fractures a score of 59.41 with significant differences in all Constant score items with the exception of external rotation. Although patients older than 75 years scored lower (54.63) than those younger than 75 years (70.83), there was no difference in the quality-of-life perception. Conservative treatment of proximal humeral fractures in those patients older than age 75 years provides good pain relief with limited functional outcome. Despite limited functional outcome, this appears to have no effect on the quality-of-life perception in the population studied. Four-part fractures present the worst results and treatment options may need to be discussed with the patient to adjust treatment to patient expectations.

  12. 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.

  13. A dual-function ESPI system for the measurement of out-of-plane displacement and slope

    Science.gov (United States)

    Bhaduri, B.; Mohan, N. K.; Kothiyal, M. P.

    2006-06-01

    A dual-function ESPI system is developed for the measurement of out-of-plane displacement and its slope change. The proposed system is convenient and also efficient to switch over from an out-of-plane sensitive configuration to shearography. A difference-of-phase method with a five-step algorithm is used for speckle fringe analysis.

  14. 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

  15. Applications of Displacement Transfer Functions to Deformed Shape Predictions of the G-III Swept-Wing Structure

    Science.gov (United States)

    Lung, Shun-Fat; Ko, William L.

    2016-01-01

    In support of the Adaptive Compliant Trailing Edge [ACTE] project at the NASA Armstrong Flight Research Center, displacement transfer functions were applied to the swept wing of a Gulfstream G-III airplane (Gulfstream Aerospace Corporation, Savannah, Georgia) to obtain deformed shape predictions. Four strainsensing lines (two on the lower surface, two on the upper surface) were used to calculate the deformed shape of the G III wing under bending and torsion. There being an insufficient number of surface strain sensors, the existing G III wing box finite element model was used to generate simulated surface strains for input to the displacement transfer functions. The resulting predicted deflections have good correlation with the finite-element generated deflections as well as the measured deflections from the ground load calibration test. The convergence study showed that the displacement prediction error at the G III wing tip can be reduced by increasing the number of strain stations (for each strain-sensing line) down to a minimum error of l.6 percent at 17 strain stations; using more than 17 strain stations yielded no benefit because the error slightly increased to 1.9% when 32 strain stations were used.

  16. 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

    To improve the power production of their 1 MW wave energy converter, Wavestar is developing a new transmission based on discrete hydraulics. The discrete hydraulic system allows all cylinders to supply a common accumulator storage while maintaining low-loss individual force control of the 20...... 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...

  17. 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 ...

  18. Variational energy functionals of the Green function tested on molecules

    NARCIS (Netherlands)

    Dahlen, NE; Von Barth, U; Dahlen, Nils Erik

    2005-01-01

    It was recently proposed to use variational functionals based on manybody perturbation theory for the calculation of the total energies of many-electron systems. The accuracy of such functionals depends on the degree of sophistication of the underlying perturbation expansions. The energy functionals

  19. 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....

  20. The San Cristobal wind and solar projects : energy in action : displacing diesel-powered generation by renewable energy in the Galapagos Islands

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-01-01

    The e8 is a non-profit international organization, consisting of nine leading electricity companies from the G8 countries, which promotes sustainable energy development through electricity sector projects and human capacity building activities in developing nations worldwide. The e8 San Cristobal wind project, features the implementation of a 2.4 MW wind farm on the inhabited island of San Cristobal, in the Galapagos World Heritage Site. It is expected to displace diesel-powered electricity generation by wind energy, helping to reduce greenhouse gas emissions and the risk for equally devastating diesel-fuel tanker spills in this highly protected environment. This report discussed renewable electrification of the Galapagos Islands and described the San Cristobal wind project. This included a discussion of: management of the San Cristobal wind project; project engineering, development and implementation; sustainable development and an environmental impact assessment; as well as interviews with project managers. Human capacity building activities to enhance the promotion of renewable energy options in the Galapagos such as the micro-solar long-distance learning program were also identified. It was concluded that the complementary educational and training programs on renewable energy options and energy efficiency use, initiated along with the wind project have significantly contributed to the local community's increased awareness and knowledge of sustainable energy options and the importance of cost-conscious electricity use and energy-efficient consumption. Through these programs, the e8 has highlighted the importance of human capacity building and public education for the effective local acceptance, development and spread of renewable and clean energy technologies. tabs., figs.

  1. 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.

  2. 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...

  3. Quantitative measures of damage to subchondral bone are associated with functional outcome following treatment of displaced acetabular fractures.

    Science.gov (United States)

    Lubovsky, Omri; Kreder, Michael; Wright, David A; Kiss, Alex; Gallant, Aimee; Kreder, Hans J; Whyne, Cari M

    2013-12-01

    Current analysis of displaced acetabular fractures is limited in its ability to predict functional outcome. This study aimed to (1) quantify initial acetabular damage following acetabular fracture through measurement of subchondral bone density and fracture lines, and (2) evaluate associations between acetabular damage and functional outcomes following fracture. Subchondral bone intensity maps were created for 24 patients with unilateral acetabular fractures. Measures of crack length and density differences between corresponding regions in the fractured acetabuli, normalized by the unfractured side, were generated from preoperative CT images. Damage measures were compared to quality of life survey data collected for each patient at least 2 years post-injury (Musculoskeletal Functional Assessment [MFA] and Short Form-36 [SF-36], with specific focus on parameters that best describe patients' physical health). CT image quantification of initial damage to acetabular subchondral bone was associated with functional outcome post-injury. In general, damage as quantified through differences in density in the superior dome region (zones 8 and 12) and the central anterior region of the acetabulum (zone 3) were found to be the strongest significant predictors of functional outcome (adjusted R(2) = 0.3-0.45, p fractures toward improving clinical prognoses. © 2013 Orthopaedic Research Society.

  4. 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.

  5. 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.

  6. Direct energy functional minimization under orthogonality constraints

    Science.gov (United States)

    Weber, Valéry; VandeVondele, Joost; Hutter, Jürg; Niklasson, Anders M. N.

    2008-02-01

    The direct energy functional minimization problem in electronic structure theory, where the single-particle orbitals are optimized under the constraint of orthogonality, is explored. We present an orbital transformation based on an efficient expansion of the inverse factorization of the overlap matrix that keeps orbitals orthonormal. The orbital transformation maps the orthogonality constrained energy functional to an approximate unconstrained functional, which is correct to some order in a neighborhood of an orthogonal but approximate solution. A conjugate gradient scheme can then be used to find the ground state orbitals from the minimization of a sequence of transformed unconstrained electronic energy functionals. The technique provides an efficient, robust, and numerically stable approach to direct total energy minimization in first principles electronic structure theory based on tight-binding, Hartree-Fock, or density functional theory. For sparse problems, where both the orbitals and the effective single-particle Hamiltonians have sparse matrix representations, the effort scales linearly with the number of basis functions N in each iteration. For problems where only the overlap and Hamiltonian matrices are sparse the computational cost scales as O(M2N ), where M is the number of occupied orbitals. We report a single point density functional energy calculation of a DNA decamer hydrated with 4003 water molecules under periodic boundary conditions. The DNA fragment containing a cis-syn thymine dimer is composed of 634 atoms and the whole system contains a total of 12 661 atoms and 103 333 spherical Gaussian basis functions.

  7. Functional localization of the human color center by decreased water displacement using diffusion-weighted fMRI.

    Science.gov (United States)

    Williams, Rebecca J; Reutens, David C; Hocking, Julia

    2015-11-01

    Decreased water displacement following increased neural activity has been observed using diffusion-weighted functional MRI (DfMRI) at high b-values. The physiological mechanisms underlying the diffusion signal change may be unique from the standard blood oxygenation level-dependent (BOLD) contrast and closer to the source of neural activity. Whether DfMRI reflects neural activity more directly than BOLD outside the primary cerebral regions remains unclear. Colored and achromatic Mondrian visual stimuli were statistically contrasted to functionally localize the human color center Area V4 in neurologically intact adults. Spatial and temporal properties of DfMRI and BOLD activation were examined across regions of the visual cortex. At the individual level, DfMRI activation patterns showed greater spatial specificity to V4 than BOLD. The BOLD activation patterns were more prominent in the primary visual cortex than DfMRI, where activation was localized to the ventral temporal lobe. Temporally, the diffusion signal change in V4 and V1 both preceded the corresponding hemodynamic response, however the early diffusion signal change was more evident in V1. DfMRI may be of use in imaging applications implementing cognitive subtraction paradigms, and where highly precise individual functional localization is required.

  8. Immediate effect of orthopedic shoe and functional foot orthosis on center of pressure displacement and gait parameters in juvenile flexible flat foot.

    Science.gov (United States)

    Aboutorabi, Atefeh; Saeedi, Hassan; Kamali, Mohammad; Farahmand, Behshid; Eshraghi, Arezoo; Dolagh, Roghaye S

    2014-06-01

    Flat foot in children is a common deformity in which the medial longitudinal arch is reduced or eliminated. The objective of this article was to compare flat foot and healthy children on the displacement of the center of pressure and walking parameters in children with two common orthoses (functional foot orthosis and medical shoe). Comparative study. This study included 30 children with flat foot and 20 healthy children as a control group. The step length and width, walking velocity, symmetry, and center of pressure (CoP) displacements were recorded and compared for three conditions: functional foot orthosis and regular shoe, a medical shoe and barefoot. The results from the CoP displacements showed that the regular shoe with functional foot orthosis caused a significant decrease in the level of displacement of the CoP in flat foot children. The findings indicated a significant improvement in symmetry of steps and walking speed with the functional foot orthosis in comparison to the medical shoe in flat foot children. The CoP displacement was decreased and the percentage of gait symmetry and walking speed were increased by the use of regular shoes with a functional foot orthosis in comparison to the medical shoes. An orthopaedic shoe can be expensive, and in particular heavy with most children reluctant to wear it. This study focussed on the CoP displacement and selected gait parameters with an orthopaedic shoe and functional foot orthosis, and showed that a combined prescription of a functional foot orthosis and with regular shoes may be a useful alternative for children with moderate flat foot. © The International Society for Prosthetics and Orthotics 2013.

  9. 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.

  10. Displacing use

    DEFF Research Database (Denmark)

    Kelly, Janet; Matthews, Ben

    2014-01-01

    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...... medical conditions. Displacing use can be a valuable strategy for design, revealing some of the contextual conditions that influence an artefact's use, and broadening the space of alternatives explored in design. (c) 2014 Elsevier Ltd. All rights reserved....

  11. Symmetry energy in nuclear density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Nazarewicz, W. [University of Tennessee Knoxville, Department of Physics and Astronomy, Knoxville, Tennessee (United States); Oak Ridge National Laboratory, Oak Ridge, Tennessee (United States); University of Warsaw, Faculty of Physics, Warsaw (Poland); Reinhard, P.G. [Universitaet Erlangen/Nuernberg, Institut fuer Theoretische Physik, Erlangen (Germany); Satula, W. [University of Warsaw, Faculty of Physics, Warsaw (Poland); Vretenar, D. [University of Zagreb, Physics Department, Faculty of Science, Zagreb (Croatia)

    2014-02-15

    The nuclear symmetry energy represents a response to the neutron-proton asymmetry. In this paper we discuss various aspects of symmetry energy in the framework of nuclear density functional theory, considering both non-relativistic and relativistic self-consistent mean-field realizations side by side. Key observables pertaining to bulk nucleonic matter and finite nuclei are reviewed. Constraints on the symmetry energy and correlations between observables and symmetry energy parameters, using statistical covariance analysis, are investigated. Perspectives for future work are outlined in the context of ongoing experimental efforts. (orig.)

  12. Displacement cross sections and PKA spectra: tables and applications. [Neutron damage energy cross sections to 20 MeV, primary knockon atom spectra to 15 MeV

    Energy Technology Data Exchange (ETDEWEB)

    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.

  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. In vivo relationship between pelvis motion and deep fascia displacement of the medial gastrocnemius: anatomical and functional implications.

    Science.gov (United States)

    Cruz-Montecinos, Carlos; González Blanche, Alberto; López Sánchez, David; Cerda, Mauricio; Sanzana-Cuche, Rodolfo; Cuesta-Vargas, Antonio

    2015-11-01

    Different authors have modelled myofascial tissue connectivity over a distance using cadaveric models, but in vivo models are scarce. The aim of this study was to evaluate the relationship between pelvic motion and deep fascia displacement in the medial gastrocnemius (MG). Deep fascia displacement of the MG was evaluated through automatic tracking with an ultrasound. Angular variation of the pelvis was determined by 2D kinematic analysis. The average maximum fascia displacement and pelvic motion were 1.501 ± 0.78 mm and 6.55 ± 2.47 °, respectively. The result of a simple linear regression between fascia displacement and pelvic motion for three task executions by 17 individuals was r = 0.791 (P fascia displacement of the MG (r = 0.449, P fasciae in restricting movement in remote zones. © 2015 Anatomical Society.

  15. 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.

  16. Air Displacement Plethysmography versus Dual-Energy X-Ray Absorptiometry in Underweight, Normal-Weight, and Overweight/Obese Individuals

    OpenAIRE

    David W Lowry; A Janet Tomiyama

    2015-01-01

    BACKGROUND: Accurately estimating fat percentage is important for assessing health and determining treatment course. Methods of estimating body composition such as hydrostatic weighing or dual-energy x-ray absorptiometry (DXA), however, can be expensive, require extensive operator training, and, in the case of hydrostatic weighing, be highly burdensome for patients. Our objective was to evaluate air displacement plethysmography via the Bod Pod, a less burdensome method of estimating body fat ...

  17. 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

  18. 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

  19. 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 ...

  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. 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...... in the room and in the inhalation of both manikins. Tracer gas was added in the heat plume above a sitting manikin, or in the exhalation through either the nose or the mouth. The other manikin moved back and forth at different speeds on a low trolley. The mentioned experimental conditions have a significant...

  2. 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

  3. 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.

  4. 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.

  5. Lipid droplet functions beyond energy storage.

    Science.gov (United States)

    Welte, Michael A; Gould, Alex P

    2017-10-01

    Lipid droplets are cytoplasmic organelles that store neutral lipids and are critically important for energy metabolism. Their function in energy storage is firmly established and increasingly well characterized. However, emerging evidence indicates that lipid droplets also play important and diverse roles in the cellular handling of lipids and proteins that may not be directly related to energy homeostasis. Lipid handling roles of droplets include the storage of hydrophobic vitamin and signaling precursors, and the management of endoplasmic reticulum and oxidative stress. Roles of lipid droplets in protein handling encompass functions in the maturation, storage, and turnover of cellular and viral polypeptides. Other potential roles of lipid droplets may be connected with their intracellular motility and, in some cases, their nuclear localization. This diversity highlights that lipid droplets are very adaptable organelles, performing different functions in different biological contexts. This article is part of a Special Issue entitled: Recent Advances in Lipid Droplet Biology edited by Rosalind Coleman and Matthijs Hesselink. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Digital displacements

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    2014-01-01

    digital interface. However, the transformation of citizen services from traditional face-to-face interaction to digital self-service gives rise to new practices; some citizens need support to be able to manage self-service through digital tools. A mixture of support and teaching, named co...... digital reforms in Denmark and shows how citizen service is transformed from service to support. The frontline employee’s classical tasks such as casework are being displaced into educational and support-oriented tasks with less professional content. Thus an unintended effect of digitisation is blurred......In recent years digital reforms are being introduced in the municipal landscape of Denmark. The reforms address the interaction between citizen and local authority. The aim is, that by 2015 at least 80 per cent of all correspondence between citizens and public authority will be transmitted through...

  7. Functional Outcome and Patient Satisfaction after Displaced Intra-articular Calcaneal Fractures: A Comparison Among Open, Percutaneous, and Nonoperative Treatment

    NARCIS (Netherlands)

    A.S. de Boer (Annette ); E.M.M. van Lieshout (Esther); D. den Hartog (Dennis); B. Weerts (Bas); M.H.J. Verhofstad (Michiel); T. Schepers (Tim)

    2014-01-01

    textabstractThe aim of the present study was to compare the outcomes of patients with a displaced calcaneal fracture treated by open reduction and internal fixation (ORIF), percutaneous treatment, or nonoperative methods. A retrospective cohort study was conducted at a level I trauma center of

  8. Landscape of the exact energy functional

    CERN Document Server

    Cohen, Aron J

    2015-01-01

    One of the great challenges of electronic structure theory is the search for the exact functional of density functional theory (DFT). Its existence is undoubted but it is hard to even conceptualize it as it is a surface in a massively multidimensional space. However, the asymmetric two-site Hubbard model has a two-dimensional universe of density matrices and the exact functional simply becomes a function of two variables whose landscape can be calculated, visualized and explored. This one unique surface contains all the possible physics of any system in this universe. A walk on this landscape, moved to the angle of any one-electron Hamiltonian, gives a valley whose minimum is the exact total energy. We show concrete examples of pure-state density matrices that are not v-representable due to the underlying non-convex nature of the exact functional. Using the Perdew, Parr, Levy and Balduz extension to fractional ensembles we calculate the exact functional for all numbers of electrons. The derivative discontinui...

  9. Relationship between the functional outcomes and radiological results of conservatively treated displaced proximal humerus fractures in the elderly: A prospective study

    OpenAIRE

    Mehmet Kerem Canbora; Ozkan Kose; Atilla Polat; Levent Konukoglu; Mucahit Gorgec

    2013-01-01

    Purpose: The purpose of this prospective study is to investigate the relationship between the functional outcome and the radiographic results of conservatively treated two-, three- and four-part proximal humeral fractures in patients aged over 65 years. Materials and Methods: The study comprised 29 prospectively followed cases aged over 65 years who presented with displaced proximal humerus fracture between 2009 and 2011. The fractures were classified according to the Neer classification ...

  10. The quasi-Gaussian entropy theory : Free energy calculations based on the potential energy distribution function

    NARCIS (Netherlands)

    Amadei, A; Apol, MEF; DiNola, A; Berendsen, HJC

    1996-01-01

    A new theory is presented for calculating the Helmholtz free energy based on the potential energy distribution function. The usual expressions of free energy, internal energy and entropy involving the partition function are rephrased in terms of the potential energy distribution function, which must

  11. 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

  12. 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.

  13. Functional data analysis of sleeping energy expenditure.

    Directory of Open Access Journals (Sweden)

    Jong Soo Lee

    Full Text Available 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. Evaluation of negative energy Coulomb (Whittaker) functions

    Science.gov (United States)

    Noble, C. J.

    2004-05-01

    This paper describes a code for evaluating exponentially decaying negative energy Coulomb functions and their first derivatives with respect to the radial variable. The functions, which correspond to Whittaker functions of the second kind, are obtained to high accuracy for a wide range of parameters using recurrence techniques. Program summaryTitle of program: whittaker_w Catalog identifier: ADSZ Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADSZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer: Cray T3E, Sun Ultra-5_10 sparc, Origin2000, Compaq EV67, IBM SP3, Toshiba 460CDT Operating systems under which the program has been tested: Windows NT4, Redhat Linux, SunOS 5.8 Programming language used: Fortran 95 Memory required to run with typical data: 500 KB Number of bytes in distributed program, including test data, etc.: 39728 Number of lines in distributed program, including test data, etc.: 2900 Distribution format: tar gzip file Nature of physical problem: The closed-channel components of the asymptotic radial wave function corresponding to electron or positron scattering by atomic or molecular ions may be expressed in terms of negative energy Coulomb functions. The scattering observables are obtained from S or T matrices which in turn are obtained by matching the radial and asymptotic wavefunctions at a finite radial point. Recent large scale scattering calculations have required accurate values of the Coulomb functions at smaller ρ values and larger negative η values than previous work. The present program is designed to extend the range of parameters for which the function may be calculated. Method of solution: Recurrence relations, power series expansion, numerical quadrature. Restrictions on the complexity of the problem: The program has been tested for the parameter ranges: 0< ρ⩽1000, | η|⩽120 and 0⩽ l⩽100. These ranges may, with appropriate scaling to avoid underflow and overflow, be

  15. Active Precharge Hammering to Monitor Displacement Damage Using High-Energy Protons in 3x-nm SDRAM

    Science.gov (United States)

    Lim, Chulseung; Park, Kyungbae; Baeg, Sanghyeon

    2017-02-01

    This paper proposes the Active Precharge Hammering on a Row (APHR) test to evaluate displacement damage (DD) in 3x-nm DRAM components. Irradiated SDRAM devices could have multiple current leakage paths, partly owing to DD effects. The degree of leakage from cells with DD can be differentiated from undamaged cells by the difference in the number of hammered accesses to the two types of cells. Proton-based SER tests were performed with DDR3 SDRAM components made using 3x-nm technologies. The experimental results showed that bit errors caused by the APHR test (APHR errors) were more than five times higher in the irradiated sample compared to the non-irradiated sample, and APHR errors were not detectable within 64-ms retention time using the traditional retention test method. In the worst case, the number of hammerings required to cause an APHR error in the irradiated sample reduced by 36 times compared to that in the non-irradiated sample even after the irradiated sample was annealed at 150° C so as to have no retention errors within the maximum retention time of 64-ms.

  16. Proton-induced displacement damage in GaAs and radiation-hardness of semiconductor detectors for high energy physics

    Energy Technology Data Exchange (ETDEWEB)

    Khludkov, S.S. [Tomskij Gosudarstvennyj Univ., Tomsk (Russian Federation). Sibirskij Fiziko-Technicheskij Inst.; Stepanov, V.E. [Tomskij Gosudarstvennyj Univ., Tomsk (Russian Federation). Sibirskij Fiziko-Technicheskij Inst.; Tolbanov, O.P. [Tomskij Gosudarstvennyj Univ., Tomsk (Russian Federation). Sibirskij Fiziko-Technicheskij Inst.

    1997-08-01

    A model of the radiation hardness of semiconductor detector materials is developed in terms of local charge neutrality (LCN). The non-ionizing energy deposition in GaAs has been calculated for protons with energies ranging from 1 to 25 GeV. Deep centres are shown to play a basic role in determining the radiation hardness of charged particle detectors fabricated from high-resistivity semiconductor material. (orig.).

  17. Biomechanics of the mandible part I: measurement of mandibular functional deformation using custom-fabricated displacement transducers.

    Science.gov (United States)

    Al-Sukhun, Jehad; Helenius, Miia; Lindqvist, Christian; Kelleway, John

    2006-07-01

    The purpose of this study was to measure corporal approximation, dorsoventral shear, and corporal rotation in edentulous subjects treated with dental implants, during normal mandibular movements. Three patterns of jaw deformation (corporal approximation [CA], corporal rotation [CR], and dorsoventral [DV] shear) were measured using custom-fabricated displacement transducers in 12 edentulous subjects who had been treated with dental implants. Measurements were made in real time using a multichannel analogue/digital converter and a personal computer for data storage and analysis. Corporal approximation was measured as the linear change in the orientation of the 2 implants in the horizontal plane. Corporal rotation was recorded as a relative rotation of the right and left mandibular bodies projected into the frontal plane, and dorsoventral shear as the relative rotation of the 2 implants projected onto the median sagittal plane. All 3 patterns of mandibular deformation occurred concurrently and immediately on commencement of jaw movement. Different jaw movements produced different patterns of mandibular deformation. The highest values of jaw deformation were recorded during protrusion. CA ranged between 11.0 microm and 57.8 microm. Corporal rotation and DV shear ranged between 0.4 degrees and 2.8 degrees . This clinical study shows and measures 3 different and concurrent patterns of jaw deformation, during normal mandibular movements, using custom fabricated displacement transducers. The transducers may have a potential for routine clinical applications.

  18. Dynamic and functional gait analysis of severely displaced intra-articular calcaneus fractures treated with a hinged external fixator or internal stabilization.

    Science.gov (United States)

    Besch, Lutz; Radke, Birgit; Mueller, Michael; Daniels-Wredenhagen, Mark; Varoga, Deike; Hilgert, Ralf-Erik; Mathiak, Guenther; Oehlert, Katharina; Seekamp, Andreas

    2008-01-01

    The purpose of this article was to assess functional gait outcome. Fifty-five patients with severely displaced intra-articular calcaneus fractures and soft tissue damage were evaluated prospectively with computerized dynamic pedography and a clinical scoring scale. The treatment protocol assigned 30 patients to open reduction and internal fixation (ORIF) and 25 to closed reduction and stabilization with a biomechanically tested hinged external fixator. Gait parameter was evaluated by measuring plantar pressure distribution, length of a double-step, double-step duration, standing duration, effective foot length, and width of gait. Pedographic measurements were performed with a custom-made gait analysis system (medilogic Gangas, Berlin, Germany). Results were graded by an extended protocol of questionnaires and the American Orthopaedic Foot and Ankle Society (AOFAS) ankle and hindfoot scales. Radiographs were reviewed according to the Sanders classification at the time of follow-up (7.3 years). All measurements were statistically analyzed (t test; Mann-Whitney U test). Aberrations were associated with all calcaneal fractures in both groups. Dynamic gait analysis showed gait asymmetry in all patients. The type of treatment (ORIF or a hinged fixator) of severely displaced calcaneus fractures did not affect gait analysis nor result in significantly different (P > .05) patient outcome scores. The gait analysis system allows a valid dynamic pedographic measurement. The hinged external fixator can be recommended in displaced intra-articular calcaneal fractures with severe soft tissue damage to reduce complications associated with ORIF. ACFAS Level of Clinical Evidence: 2c.

  19. 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.

  20. 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.

  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. Air displacement plethysmography versus dual-energy x-ray absorptiometry in underweight, normal-weight, and overweight/obese individuals.

    Science.gov (United States)

    Lowry, David W; Tomiyama, A Janet

    2015-01-01

    Accurately estimating fat percentage is important for assessing health and determining treatment course. Methods of estimating body composition such as hydrostatic weighing or dual-energy x-ray absorptiometry (DXA), however, can be expensive, require extensive operator training, and, in the case of hydrostatic weighing, be highly burdensome for patients. Our objective was to evaluate air displacement plethysmography via the Bod Pod, a less burdensome method of estimating body fat percentage. In particular, we filled a gap in the literature by testing the Bod Pod at the lower extreme of the Body Mass Index (BMI) distribution. Three BMI groups were recruited and underwent both air displacement plethysmography and dual-energy x-ray absorptiometry. We recruited 30 healthy adults at the lower BMI distribution from the Calorie Restriction (CR) Society and followers of the CR Way. We also recruited 15 normal weight and 19 overweight/obese healthy adults from the general population. Both Siri and Brozek equations derived body fat percentage from the Bod Pod, and Bland-Altman analyses assessed agreement between the Bod Pod and DXA. Compared to DXA, the Bod Pod overestimated body fat percentage in thinner participants and underestimated body fat percentage in heavier participants, and the magnitude of difference was larger for underweight BMI participants, reaching 13% in some. The Bod Pod and DXA had smaller discrepancies in normal weight and overweight/obese participants. While less burdensome, clinicians should be aware that Bod Pod estimates may deviate from DXA estimates particularly at the lower end of the BMI distribution.

  3. Air displacement plethysmography versus dual-energy x-ray absorptiometry in underweight, normal-weight, and overweight/obese individuals.

    Directory of Open Access Journals (Sweden)

    David W Lowry

    Full Text Available Accurately estimating fat percentage is important for assessing health and determining treatment course. Methods of estimating body composition such as hydrostatic weighing or dual-energy x-ray absorptiometry (DXA, however, can be expensive, require extensive operator training, and, in the case of hydrostatic weighing, be highly burdensome for patients. Our objective was to evaluate air displacement plethysmography via the Bod Pod, a less burdensome method of estimating body fat percentage. In particular, we filled a gap in the literature by testing the Bod Pod at the lower extreme of the Body Mass Index (BMI distribution.Three BMI groups were recruited and underwent both air displacement plethysmography and dual-energy x-ray absorptiometry. We recruited 30 healthy adults at the lower BMI distribution from the Calorie Restriction (CR Society and followers of the CR Way. We also recruited 15 normal weight and 19 overweight/obese healthy adults from the general population. Both Siri and Brozek equations derived body fat percentage from the Bod Pod, and Bland-Altman analyses assessed agreement between the Bod Pod and DXA. Compared to DXA, the Bod Pod overestimated body fat percentage in thinner participants and underestimated body fat percentage in heavier participants, and the magnitude of difference was larger for underweight BMI participants, reaching 13% in some. The Bod Pod and DXA had smaller discrepancies in normal weight and overweight/obese participants.While less burdensome, clinicians should be aware that Bod Pod estimates may deviate from DXA estimates particularly at the lower end of the BMI distribution.

  4. 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.

  5. Data for calculating population, 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; Felis, Jonathan J.; Pereksta, David M.

    2016-01-01

    The U.S. Geological Survey, Western Ecological Research Center (USGS-WERC) was requested by the Bureau of Ocean Energy Management (BOEM) to create a database for marine birds of the California Current System (CCS) that would allow quantification and species ranking regarding vulnerability to offshore wind energy infrastructure (OWEI). This was needed so that resource managers could evaluate potential impacts associated with siting and construction of OWEI within the California Current System section of the Pacific Offshore Continental Shelf, including California, Oregon, and Washington. Along with its accompanying Open File Report (OFR), this comprehensive database can be used (and modified or updated) to quantify marine bird vulnerability to OWEIs in the CCS at the population level. For 81 marine bird species present in the CCS, we generated numeric scores to represent three vulnerability indices associated with potential OWEI: population vulnerability, collision vulnerability, and displacement vulnerability. The metrics used to produce these scores includes global population size, proportion of the population in the CCS, threat status, adult survival, breeding score, annual occurrence in the CCS, nocturnal and diurnal flight activity, macro-avoidance behavior, flight height, and habitat flexibility; values for these metrics can be updated and adjusted as new data become available. The scoring methodology was peer-reviewed to evaluate if the metrics identified and the values generated were appropriate for each species considered. The numeric vulnerability scores in this database can readily be applied to areas in the CCS with known species distributions and where offshore renewable energy development is being considered. We hope that this information can be used to assist meaningful planning decisions that will impact seabird conservation. These data support the following publication: Adams, J., Kelsey, E.C., Felis J.J., and Pereksta, D.M., 2016

  6. Surface energy and work function of the light actinides

    DEFF Research Database (Denmark)

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

    1994-01-01

    We have calculated the surface energy and work function of the light actinides Fr, Ra, Ac, Th, Pa, U, Np, and Pu by means of a Green's-function technique based on the linear-muffin-tin-orbitals method within the tight-binding representation. In these calculations we apply an energy functional which....... The calculated surface energies and work functions are in good agreement with the limited experimental data....

  7. 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.

  8. 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)

  9. Job Displacement and Crime

    DEFF Research Database (Denmark)

    Bennett, Patrick; Ouazad, Amine

    no significantly increasing trend prior to displacement; and the crime rate of workers who will be displaced is not significantly higher than the crime rate of workers who will not be displaced. In contrast, displaced workers’ probability to commit any crime increases by 0.52 percentage points in the year of job...

  10. 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)

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

    2018-03-23

    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 < 4) are able to absorb near infrared radiation (NIR) creating a photothermal effect in an aqueous medium. Thus, multifunctional nanoparticles are obtained. The application of NIR on a F-PANI-NPs dispersion in contact with Pseudomonas aeruginosa 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.

  11. 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.

  12. 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.

  13. 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.

  14. Fourfold Clusters of Rovibrational Energies in H2Te Studied With an Ab Initio Potential Energy Function

    Science.gov (United States)

    Jensen, Per; Li, Yan; Hirsch, Gerhard; Buenker, Robert J.; Lee, Timothy J.; Arnold, James O. (Technical Monitor)

    1994-01-01

    We report an ab initio investigation of the cluster effect (i.e., the formation of nearly degenerate, four member groups of rotation-vibration energy levels at higher J and K(sub a). values) in the H2Te molecule. The potential energy function has been calculated ab initio at a total of 334 molecular geometries by means of the CCSD(T) method where the (1s-4f) core electrons of Te were described by an effective core potential. The values of the potential energy function obtained cover the region up to around 10,000/cm above the equilibrium energy. On the basis of the ab initio potential, the rotation-vibration energy spectra of H2Te-130 and its deuterated isotopomers have been calculated with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics) Hamiltonian and computer program. In particular, we have calculated the rotational energy manifolds for J less than or = 40 in the vibrational ground state, the upsilon(sub 2) state, the "first triad" (the upsilon(sub l)/upsilon(sub 3)/2upsilon(sub 2) interacting vibrational states), and the "second triad" (the upsilon(sub 1) + upsilon(sub 2/upsilon(sub 2) + upsilon(sub 3)/3upsilon(sub 2) states) of H2Te-130. We find that the cluster formation in H2Te is very similar to those of of H2Se and H2S, which we have studied previously. However, contrary to semiclassical predictions, we do not determine any significant displacement of the clusters towards lower J values relative to H2Se. Hence the experimental observation of the cluster states in H2Te will be at least as difficult as in H2Se.

  15. 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.

  16. 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.

  17. 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....

  18. Towards a kinetic energy density functional for the water molecule

    Science.gov (United States)

    Akin-Ojo, Omololu; Shittu, Doyin

    Development of an accurate kinetic energy kinetic energy density functional (KEDF) is a holy grail. In this work, local KEDFS are parameterized for the water molecule in order to reproduce Kohn-Sham density functional theory (KS-DFT) results. Energies, forces and dipole moments from these KEDFs are presented. Problems with the convergence of the self-consistent-field (SCF) calculations are discussed together with possible solutions. and: Theoretical and Applied Physics Dept. African Univ. of Science and Technology (AUST) Abuja, Nigeria.

  19. Open reduction and internal fixation of displaced intraarticular fractures of the calcaneus - influence of type of fracture and congruency of the subtalar joint upon functional result

    Directory of Open Access Journals (Sweden)

    Matej Andoljšek

    2005-11-01

    Full Text Available Background: More and more, open reduction and internal fixation (ORIF followed by early motion are advocated for displaced intraarticular fractures of the calcaneus. In prospective study the author asked, what are the results of ORIF with the calcaneal plate in intraarticular fractures of the calcaneus, and whether type of fracture and/or congruity in the subtalar joint influence these results.Methods: Forty-three intraarticular fractures of the calcaneus (30 Type II, 10 Type III and 3 Type IV according to Sanders classification were operated through extensile lateral approach. After reduction of the subtalar joint and restoration of the calcaneus shape, the fracture was fixed with the calcaneal plate. Mostly, surgery was delayed for a few days until soft tissues recuperate. Motion of the ankle and the subtalar joint was encouraged immediately, partial weight bearing after 6–8 weeks and full weight bearing after 3–4 month. After surgery, subtalar joint was found congruent in 33 (77% and non-congruent (within 2 mm in ten fractures.Results: Functional results of 36 fractures with a representative type distribution were evaluated 12 to 61 months postinjury. Functional results were satisfactory in 31 fractures (86% and not satisfactory in five (14%. All fractures with unsatisfactory results were comminutive (Type III or IV. Four fractures with congruent joint had unsatisfactory, and eight of nine fractures with uncongruent joint had satisfactory result. Statistically, functional results of the comminuted fractures were significantly worse. However, functional results of fractures with non-congruent joint were comparable to the results of fractures with congruent joint and analysis of variance showed that interaction of these two factors was not important.Conclusions: This prospective study confirms that ORIF enables satisfactory results in majority of displaced intraarticular fractures of the calcaneus. It also confirms that comminution in the

  20. The long-term outcome of displaced mid-third clavicle fractures on scapular and shoulder function: variations between immediate surgery, delayed surgery, and nonsurgical management.

    Science.gov (United States)

    George, Daniel M; McKay, Bartholomew P; Jaarsma, Ruurd L

    2015-05-01

    Conservative management for uncomplicated displaced clavicle fractures is common practice. Delay of surgical fixation may result in less favorable outcomes. A retrospective cohort study was conducted of 60 patients with a closed mid-third clavicle fracture that did not meet current operative or nonoperative guidelines; 20 primary (plate fixation plate fixation >6 weeks), and 20 matched conservative patients were included. Each patient completed 2 questionnaires, the Disabilities of the Arm, Shoulder, and Hand and the American Shoulder and Elbow Surgeons, as well as visual analog scales for pain, cosmetic satisfaction, and overall satisfaction. In addition, 10 patients from each group underwent clinical review of scapular rotation by the lateral scapular slide test, clinical impingement, range of motion assessment, and radiologic review of clavicle union and length. The American Shoulder and Elbow Surgeons patient self-reported questionnaire demonstrated a median score of 5.5 for the delayed group, 2 for the primary group, and 1 for the conservative group (P = .032). The median Disabilities of the Arm, Shoulder, and Hand score was 7.92 for the delayed group, 3.32 for the primary group, and 1.67 for the conservative group (P = .212). Six patients in the delayed group had scapular malrotation compared with 2 in the primary group and none in the conservative group (P = .008). Flexion and external rotation in 90° abduction were decreased in the conservative group (P = .049 and .041, respectively). We support the conservative management of uncomplicated displaced clavicle fractures but recognize that a lower threshold for early surgery should be considered where optimal shoulder function is required. Copyright © 2015 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

  1. Displaced patella fractures.

    Science.gov (United States)

    Della Rocca, Gregory J

    2013-10-01

    Displaced patella fractures often result in disruption of the extensor mechanism of the knee. An intact extensor mechanism is a requirement for unassisted gait. Therefore, operative treatment of the displaced patella fracture is generally recommended. The evaluation of the patella fracture patient includes examination of extensor mechanism integrity. Operative management of patella fractures normally includes open reduction with internal fixation, although partial patellectomy is occasionally performed, with advancement of quadriceps tendon or patellar ligament to the fracture bed. Open reduction with internal fixation has historically been performed utilizing anterior tension band wiring, although comminution of the fracture occasionally makes this fixation construct inadequate. Supplementation or replacement of the tension band wire construct with interfragmentary screws, cerclage wire or suture, and/or plate-and-screw constructs may add to the stability of the fixation construct. Arthrosis of the patellofemoral joint is very common after healing of patella fractures, and substantial functional deficits may persist long after fracture healing has occurred. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

  2. Dithizone-functionalized solid phase extraction-displacement elution-high performance liquid chromatography-inductively coupled plasma mass spectrometry for mercury speciation in water samples.

    Science.gov (United States)

    Yin, Yong-guang; Chen, Ming; Peng, Jin-feng; Liu, Jing-fu; Jiang, Gui-bin

    2010-06-15

    A novel and simple solid phase extraction (SPE)-high performance liquid chromatography (HPLC)-inductively coupled plasma mass spectrometry (ICP-MS) method was developed for determination of inorganic mercury (IHg), methylmercury MeHg and ethylmercury (EtHg) in water samples in the present work. The procedure involves pre-functionalization of the commercially available C18 SPE column with dithizone, loading water sample, displacement elution of mercury species by Na(2)S(2)O(3) solution, followed by HPLC-ICP-MS determination. Characterization and optimization of operation parameters of this new SPE procedure were discussed, including eluting reagent selection, concentration of eluting reagent, volume of eluting reagent, effect of NaCl and humic acid in sample matrix. At optimized conditions, the detection limits of mercury species for 100mL water sample were about 3ngL(-1) and the average recoveries were 93.7, 83.4, and 71.7% for MeHg, IHg and EtHg, respectively, by spiking 0.2microgL(-1) mercury species into de-ion water. Stability experiment reveals that both the dithizone-functionalized SPE cartridge and the mercury species incorporated were stable in the storage procedure. These results obtained demonstrate that SPE-HPLC-ICP-MS is a simple and sensitive technique for the determination of mercury species at trace level in water samples with high reproducibility and accuracy.

  3. Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.

    Science.gov (United States)

    Vuckovic, Stefan; Gori-Giorgi, Paola

    2017-07-06

    From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is fully nonlocal. This functional is self-interaction free and yields energy densities within the definition of the electrostatic potential of the exchange-correlation hole that are locally accurate and have the correct asymptotic behavior. The model is able to capture strong correlation effects that arise from chemical bond dissociation, without relying on error cancellation. These features, which are usually missed by standard density functional theory (DFT) functionals, are captured by the highly nonlocal structure, which goes beyond the "Jacob's ladder" framework for functional construction, by using integrals of the density as the key ingredient. Possible routes for obtaining the full exchange-correlation functional by recovering the missing kinetic component of the correlation energy are also implemented and discussed.

  4. 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.

  5. Energy Management and Control System: Desired Capabilities and Functionality

    Energy Technology Data Exchange (ETDEWEB)

    Hatley, Darrel D.; Meador, Richard J.; Katipamula, Srinivas; Brambley, Michael R.; Wouden, Carl

    2005-04-29

    This document discusses functions and capabilities of a typical building/facility energy management and control systems (EMCS). The overall intent is to provide a building operator, manager or engineer with basic background information and recommended functions, capabilities, and good/best practices that will enable the control systems to be fully utilized/optimized, resulting in improved building occupant quality of life and more reliable, energy efficient facilities.

  6. Functional materials for sustainable energy technologies: four case studies.

    Science.gov (United States)

    Kuznetsov, V L; Edwards, P P

    2010-01-01

    The critical topic of energy and the environment has rarely had such a high profile, nor have the associated materials challenges been more exciting. The subject of functional materials for sustainable energy technologies is demanding and recognized as a top priority in providing many of the key underpinning technological solutions for a sustainable energy future. Energy generation, consumption, storage, and supply security will continue to be major drivers for this subject. There exists, in particular, an urgent need for new functional materials for next-generation energy conversion and storage systems. Many limitations on the performances and costs of these systems are mainly due to the materials' intrinsic performance. We highlight four areas of activity where functional materials are already a significant element of world-wide research efforts. These four areas are transparent conducting oxides, solar energy materials for converting solar radiation into electricity and chemical fuels, materials for thermoelectric energy conversion, and hydrogen storage materials. We outline recent advances in the development of these classes of energy materials, major factors limiting their intrinsic functional performance, and potential ways to overcome these limitations.

  7. Bond energy decomposition analysis for subsystem density functional theory

    NARCIS (Netherlands)

    Beyhan, S.M.; Gotz, A.W.; Visscher, L.

    2013-01-01

    We employed an explicit expression for the dispersion (D) energy in conjunction with Kohn-Sham (KS) density functional theory and frozen-density embedding (FDE) to calculate interaction energies between DNA base pairs and a selected set of amino acid pairs in the hydrophobic core of a small protein

  8. Significance of a Recurring Function in Energy Transfer

    Science.gov (United States)

    Mishra, Subodha

    2017-01-01

    The appearance of a unique function in the energy transfer from one system to the other in different physical situations such as electrical, mechanical, optical, and quantum mechanical processes is established in this work. Though the laws governing the energy transformation and its transfer from system to system are well known, here we notice a…

  9. 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...

  10. Virtual/Real Transfer in a Large-Scale Environment: Impact of Active Navigation as a Function of the Viewpoint Displacement Effect and Recall Tasks

    Directory of Open Access Journals (Sweden)

    Grégory Wallet

    2013-01-01

    Full Text Available The purpose of this study was to examine the effect of navigation mode (passive versus active on the virtual/real transfer of spatial learning, according to viewpoint displacement (ground: 1 m 75 versus aerial: 4 m and as a function of the recall tasks used. We hypothesize that active navigation during learning can enhance performances when route strategy is favored by egocentric match between learning (ground-level viewpoint and recall (egocentric frame-based tasks. Sixty-four subjects (32 men and 32 women participated in the experiment. Spatial learning consisted of route learning in a virtual district (four conditions: passive/ground, passive/aerial, active/ground, or active/aerial, evaluated by three tasks: wayfinding, sketch-mapping, and picture-sorting. In the wayfinding task, subjects who were assigned the ground-level viewpoint in the virtual environment (VE performed better than those with the aerial-level viewpoint, especially in combination with active navigation. In the sketch-mapping task, aerial-level learning in the VE resulted in better performance than the ground-level condition, while active navigation was only beneficial in the ground-level condition. The best performance in the picture-sorting task was obtained with the ground-level viewpoint, especially with active navigation. This study confirmed the expected results that the benefit of active navigation was linked with egocentric frame-based situations.

  11. Bioelectrical impedance vs air displacement plethysmography and dual-energy X-ray absorptiometry to determine body composition in patients with end-stage renal disease.

    Science.gov (United States)

    Flakoll, Paul J; Kent, Pamela; Neyra, Roxanna; Levenhagen, Deanna; Chen, Kong Y; Ikizler, T Alp

    2004-01-01

    Patients with end-stage renal disease (ESRD) have significant shifts in fluid homeostasis that may impair measurements of body composition using methods based upon determinations of body water. Estimates of body water are fundamental for bioelectrical impedance analysis (BIA), which measures electrical resistance to estimate total body water and body composition. BIA was compared with 2 other techniques: (1) air displacement plethysmography (ADP), which relies on measurements of body density to estimate body fat and fat-free masses; and (2) dual-energy x-ray absorptiometry (DXA), which depends on the relative attenuation of an x-ray beam to produce images of body fat and bone mineral. In study 1, BIA and ADP were performed on 38 ESRD patients (21 men and 17 women; age 51.3 +/- 2.2 years; weight 79.8 +/- 2.9 kg; body mass index [BMI] 27.4 +/- 0.9 kg/m2). In study 2, BIA and DXA were performed on 47 patients (22 men and 25 women; age 52.7 +/- 2.3 years; weight 73.6 +/- 2.9 kg; BMI 25.9 +/- 1.0 kg/m2). The ranges of percent body fat using BIA in studies 1 and 2 were from 7% to 57% and from 6% to 52%, respectively. Percent body fat measurements were significantly (p body fat as determined by BIA and ADP in study 1 was 31.8 +/- 2.0% and 36.3 +/- 1.8%* and by BIA and DXA in study 2 was 29.6 +/- 1.5% and 31.8 +/- 1.8%*, respectively (*p body fat measured by BIA was less than ADP or DXA, regardless of gender or race. Furthermore, the variation was not greater at lower or higher body fat values. Body fat measurements using ADP and DXA were correlated with those using BIA across a relatively wide range of body fat levels in adults with ESRD. However, BIA appeared to underestimate body fat and overestimate fat-free mass, possibly because of increased measurements of body water. Because ADP is convenient and does not use body water content in determination of body density and body composition, it has very good potential as a relatively new technique to estimate percent body

  12. Modeling Displacement Measurement using Vibration Transducers

    Directory of Open Access Journals (Sweden)

    AGOSTON Katalin

    2014-05-01

    Full Text Available This paper presents some aspects regarding to small displacement measurement using vibration transducers. Mechanical faults, usages, slackness’s, cause different noises and vibrations with different amplitude and frequency against the normal sound and movement of the equipment. The vibration transducers, accelerometers and microphone are used for noise and/or sound and vibration detection with fault detection purpose. The output signal of the vibration transducers or accelerometers is an acceleration signal and can be converted to either velocity or displacement, depending on the preferred measurement parameter. Displacement characteristics are used to indicate when the machine condition has changed. There are many problems using accelerometers to measure position or displacement. It is important to determine displacement over time. To determinate the movement from acceleration a double integration is needed. A transfer function and Simulink model was determinate for accelerometers with capacitive sensing element. Using these models the displacement was reproduced by low frequency input.

  13. Electro-magneto-thermo-elastic response of infinite functionally graded cylinders without energy dissipation

    Energy Technology Data Exchange (ETDEWEB)

    Zenkour, Ashraf M., E-mail: zenkour@hotmail.com [Department of Mathematics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Department of Mathematics, Faculty of Science, Kafrelsheikh University, Kafr El-Sheikh 33516 (Egypt); Abbas, Ibrahim A. [Department of Mathematics, Faculty of Science and Arts-Khulais, King Abdulaziz University, Jeddah (Saudi Arabia); Department of Mathematics, Faculty of Science, Sohag University, Sohag (Egypt)

    2015-12-01

    The electro-magneto-thermo-elastic analysis problem of an infinite functionally graded (FG) hollow cylinder is studied in the context of Green–Naghdi's (G–N) generalized thermoelasticity theory (without energy dissipation). Material properties are assumed to be graded in the radial direction according to a novel power-law distribution in terms of the volume fractions of the metal and ceramic constituents. The inner surface of the FG cylinder is pure metal whereas the outer surface is pure ceramic. The equations of motion and the heat-conduction equation are used to derive the governing second-order differential equations. A finite element scheme is presented for the numerical purpose. The system of differential equations is solved numerically and some plots for displacement, radial and electromagnetic stresses, and temperature are presented. The radial displacement, mechanical stresses and temperature as well as the electromagnetic stress are all investigated along the radial direction of the infinite cylinder. - Highlights: • The electro-magneto-thermo-elastic analysis problem of a FG cylinder is studied. • A finite element scheme is presented for the numerical purpose. • The results are investigated along the radial direction of the infinite cylinder. • It provides interesting information for all researchers working on this subject.

  14. Assessment of Volume Measurement of Breast Cancer-Related Lymphedema by Three Methods: Circumference Measurement, Water Displacement, and Dual Energy X-Ray Absorptiometry

    DEFF Research Database (Denmark)

    Gjørup, Caroline; Zerahn, B.; Hendel, H.W.

    2010-01-01

    Background: Following treatment for breast cancer 12%-60% develop breast cancer-related lymphedema (BCRL). There are several ways of assessing BCRL. Circumference measurement (CM) and water displacement (WD) for volume measurements (VM) are frequently used methods in practice and research...

  15. A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density.

    Science.gov (United States)

    Vyboishchikov, Sergei F

    2017-09-03

    We propose a simple method of calculating the electron correlation energy density ec (r) and the correlation potential Vc (r) from second-order Møller-Plesset amplitudes and its generalization for the case of a configuration interaction wavefunction, based on Nesbet's theorem. The correlation energy density obtained by this method for free and spherically confined Be and He atoms was employed to fit a local analytical density functional based on Wigner's functional. The functional is capable of producing a strong increase in the correlation energy with decreasing confined radius for the Be atom. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Energy Efficient Network Function Virtualization in 5G Networks

    OpenAIRE

    Al-Quzweeni, AN; El-Gorashi, TEH; Nonde, L; Elmirghani, JMH

    2015-01-01

    A Number of merits could be brought by network function virtualization (NFV) such as scalability, on demand allocation of resources, and the efficient utilization of network resources. In this paper, we introduce a framework for designing an energy efficient architecture for 5G mobile network function virtualization. In the proposed architecture, the main functionalities of the mobile core network which include the packet gateway (P-GW), serving gateway (S-GW), mobility management entity (MME...

  17. 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.

  18. XY displacement device

    NARCIS (Netherlands)

    Heerens, W.C.; Laham, C.D.; Holman, A.E.

    1997-01-01

    An XY-displacement device (1) with a four-fold symmetry comprises a reference frame (10); an object mount (20) for holding an object (22) to be displaced; an X-manipulator (100) coupled between the reference frame (10) and the object mount (20), which provides a rigid coupling between the object

  19. Extracting the Green's function from measurements of the energy flux.

    Science.gov (United States)

    Snieder, Roel; Douma, Huub; Vasconcelos, Ivan

    2012-04-01

    Existing methods for Green's function extraction give the Green's function from the correlation of field fluctuations recorded at those points. In this work it is shown that the Green's function for acoustic waves can be retrieved from measurements of the integrated energy flux through a closed surface taken from three experiments where two time-harmonic sources first operate separately, and then simultaneously. This makes it possible to infer the Green's function in acoustics from measurements of the energy flux through an arbitrary closed surface surrounding both sources. The theory is also applicable to quantum mechanics where the Green's function can be retrieved from measurement of the flux of scattered particles through a closed surface.

  20. 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

  1. Significance of a Recurring Function in Energy Transfer

    Science.gov (United States)

    Mishra, Subodha

    2017-05-01

    The appearance of a unique function in the energy transfer from one system to the other in different physical situations such as electrical, mechanical, optical, and quantum mechanical processes is established in this work. Though the laws governing the energy transformation and its transfer from system to system are well known, here we notice a unity in diversity; a unique function appears in various cases of energy transfer whether it is a classical or a quantum mechanical process. We consider four examples, well known in elementary physics, from the fields of electricity, mechanics, optics, and quantum mechanics. We find that this unique function is in fact the transfer function corresponding to all these physical situations, and the interesting and intriguing finding is that the inverse Laplace transform of this transfer function, which is the impulse-response function of the systems when multiplied by a factor of -½, is the solution of a linear differential equation for an "instantly forced critically damped harmonic oscillator." It is important to note that though the physical phenomena considered are quite distinct, the underlying process in the language of impulse-response of the system in the time domain is a unique one. To the best of our knowledge we have not seen anywhere the above analysis of determining the unique function or its description as a transfer function in literature.

  2. 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.

  3. Measurement of the Electron Structure Function at LEP energies

    CERN Document Server

    Abdallah, J; Adam, W; Adzic, P; Albrecht, T; Alemany-Fernandez, R; Allmendinger, T; Allport, P P; Amaldi, U; Amapane, N; Amato, S; Anashkin, E; Andreazza, A; Andringa, S; Anjos, N; Antilogus, P; Apel, W-D; Arnoud, Y; Ask, S; Asman, B; Augustin, J E; Augustinus, A; Baillon, P; Ballestrero, A; Bambade, P; Barbier, R; Bardin, D; Barker, G J; Baroncelli, A; Battaglia, M; Baubillier, M; Becks, K-H; Begalli, M; Behrmann, A; Ben-Haim, E; Benekos, N; Benvenuti, A; Berat, C; Berggren, M; Bertrand, D; Besancon, M; Besson, N; Bloch, D; Blom, M; Bluj, M; Bonesini, M; Boonekamp, M; Booth, P S L; Borisov, G; Botner, O; Bouquet, B; Bowcock, T J V; Boyko, I; Bracko, M; Brenner, R; Brodet, E; Bruckman, P; Brunet, J M; Buschbeck, B; Buschmann, P; Calvi, M; Camporesi, T; Canale, V; Carena, F; Castro, N; Cavallo, F; Chapkin, M; Charpentier, Ph; Checchia, P; Chierici, R; Chliapnikov, P; Chudoba, J; Chung, S U; Cieslik, K; Collins, P; Contri, R; Cosme, G; Cossutti, F; Costa, M J; Crennell, D; Cuevas, J; D'Hondt, J; da Silva, T; Da Silva, W; Della Ricca, G; De Angelis, A; De Boer, W; De Clercq, C; De Lotto, B; De Maria, N; De Min, A; de Paula, L; Di Ciaccio, L; Di Simone, A; Doroba, K; Drees, J; Eigen, G; Ekelof, T; Ellert, M; Elsing, M; Espirito Santo, M C; Fanourakis, G; Fassouliotis, D; Feindt, M; Fernandez, J; Ferrer, A; Ferro, F; Flagmeyer, U; Foeth, H; Fokitis, E; Fulda-Quenzer, F; Fuster, J; Gandelman, M; Garcia, C; Gavillet, Ph; Gazis, E; Gokieli, R; Golob, B; Gomez-Ceballos, G; Goncalves, P; Graziani, E; Grosdidier, G; Grzelak, K; Guy, J; Haag, C; Hallgren, A; Hamacher, K; Hamilton, K; Haug, S; Hauler, F; Hedberg, V; Hennecke, M; Hoffman, J; Holmgren, S-O; Holt, P J; Houlden, M A; Jackson, J N; Jarlskog, G; Jarry, P; Jeans, D; Johansson, E K; Jonsson, P; Joram, C; Jungermann, L; Kapusta, F; Katsanevas, S; Katsoufis, E; Kernel, G; Kersevan, B P; Kerzel, U; King, B T; Kjaer, N J; Kluit, P; Kokkinias, P; Kourkoumelis, C; Kouznetsov, O; Krumstein, Z; Kucharczyk, M; Lamsa, J; Leder, G; Ledroit, F; Leinonen, L; Leitner, R; Lemonne, J; Lepeltier, V; Lesiak, T; Liebig, W; Liko, D; Lipniacka, A; Lopes, J H; Lopez, J M; Loukas, D; Lutz, P; Lyons, L; MacNaughton, J; Malek, A; Maltezos, S; Mandl, F; Marco, J; Marco, R; Marechal, B; Margoni, M; Marin, J-C; Mariotti, C; Markou, A; Martinez-Rivero, C; Masik, J; Mastroyiannopoulos, N; Matorras, F; Matteuzzi, C; Mazzucato, F; Mazzucato, M; Mc Nulty, R; Meroni, C; Migliore, E; Mitaroff, W; Mjoernmark, U; Moa, T; Moch, M; Moenig, K; Monge, R; Montenegro, J; Moraes, D; Moreno, S; Morettini, P; Mueller, U; Muenich, K; Mulders, M; Mundim, L; Murray, W; Muryn, B; Myatt, G; Myklebust, T; Nassiakou, M; Navarria, F; Nawrocki, K; Nemecek, S; Nicolaidou, R; Nikolenko, M; Oblakowska-Mucha, A; Obraztsov, V; Olshevski, A; Onofre, A; Orava, R; Osterberg, K; Ouraou, A; Oyanguren, A; Paganoni, M; Paiano, S; Palacios, J P; Palka, H; Papadopoulou, Th D; Pape, L; Parkes, C; Parodi, F; Parzefall, U; Passeri, A; Passon, O; Peralta, L; Perepelitsa, V; Perrotta, A; Petrolini, A; Piedra, J; Pieri, L; Pierre, F; Pimenta, M; Piotto, E; Podobnik, T; Poireau, V; Pol, M E; Polok, G; Pozdniakov, V; Pukhaeva, N; Pullia, A; Radojicic, D; Rebecchi, P; Rehn, J; Reid, D; Reinhardt, R; Renton, P; Richard, F; Ridky, J; Rivero, M; Rodriguez, D; Romero, A; Ronchese, P; Roudeau, P; Rovelli, T; Ruhlmann-Kleider, V; Ryabtchikov, D; Sadovsky, A; Salmi, L; Salt, J; Sander, C; Savoy-Navarro, A; Schwickerath, U; Sekulin, R; Siebel, M; Sisakian, A; Slominski, W; Smadja, G; Smirnova, O; Sokolov, A; Sopczak, A; Sosnowski, R; Spassov, T; Stanitzki, M; Stocchi, A; Strauss, J; Stugu, B; Szczekowski, M; Szeptycka, M; Szumlak, T; Szwed, J; Tabarelli, T; Tegenfeldt, F; Timmermans, J; Tkatchev, L; Tobin, M; Todorovova, S; Tome, B; Tonazzo, A; Tortosa, P; Travnicek, P; Treille, D; Tristram, G; Trochimczuk, M; Troncon, C; Turluer, M L; Tyapkin, I A; Tyapkin, P; Tzamarias, S; Uvarov, V; Valenti, G; Van Dam, P; Van Eldik, J; van Remortel, N; Van Vulpen, I; Vegni, G; Veloso, F; Venus, W; Verdier, P; Verzi, V; Vilanova, D; Vitale, L; Vrba, V; Wahlen, H; Washbrook, A J; Weiser, C; Wicke, D; Wickens, J; Wilkinson, G; Winter, M; Witek, M; Yushchenko, O; Zalewska, A; Zalewski, P; Zavrtanik, D; Zhuravlov, V; Zimin, N I; Zintchenko, A; Zupan, M

    2010-01-01

    The hadronic part of the Electron Structure Function (ESF) has been measured for the first time, using e+e- data collected by the DELPHI experiment at LEP, at centre-of-mass energies sqrt(s) = 91.2-209.5 GeV. The data analysis is simpler than that of the measurement of the photon structure function. The ESF data are compared to predictions of phenomenological models based on the photon structure function. It is shown that the quasi-real photon virtuality contribution is significant. The presented data can serve as a cross-check of the photon structure function analyses and help in refining existing parametrizations.

  4. Core level binding energies of functionalized and defective graphene.

    Science.gov (United States)

    Susi, Toma; Kaukonen, Markus; Havu, Paula; Ljungberg, Mathias P; Ayala, Paola; Kauppinen, Esko I

    2014-01-01

    X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing nanostructures such as carbon nanomaterials due to their reduced dimensionality. In order to assign the measured binding energies to specific bonding environments, reference energy values need to be known. Experimental measurements of the core level signals of the elements present in novel materials such as graphene have often been compared to values measured for molecules, or calculated for finite clusters. Here we have calculated core level binding energies for variously functionalized or defected graphene by delta Kohn-Sham total energy differences in the real-space grid-based projector-augmented wave density functional theory code (GPAW). To accurately model extended systems, we applied periodic boundary conditions in large unit cells to avoid computational artifacts. In select cases, we compared the results to all-electron calculations using an ab initio molecular simulations (FHI-aims) code. We calculated the carbon and oxygen 1s core level binding energies for oxygen and hydrogen functionalities such as graphane-like hydrogenation, and epoxide, hydroxide and carboxylic functional groups. In all cases, we considered binding energy contributions arising from carbon atoms up to the third nearest neighbor from the functional group, and plotted C 1s line shapes by using experimentally realistic broadenings. Furthermore, we simulated the simplest atomic defects, namely single and double vacancies and the Stone-Thrower-Wales defect. Finally, we studied modifications of a reactive single vacancy with O and H functionalities, and compared the calculated values to data found in the literature.

  5. 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 low...... 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....

  6. Rising waters, displaced lives

    Directory of Open Access Journals (Sweden)

    Lindsey Brickle

    2014-02-01

    Full Text Available Although Pakistan and Colombia have relatively advanced disaster management frameworks, they were unprepared and ill-equipped to assist and protect people displaced by recent floods.

  7. A new four-parameter empirical potential energy function for ...

    Indian Academy of Sciences (India)

    A new four-parameter empirical potential energy function for diatomic molecules. M RAFI. 2,∗. , REEM AL-TUWIRQI. 1. , HANAA FARHAN. 1 and I A KHAN. 2. 1. Department of Physics, Faculty of Science, P.O. Box 16751, Jeddah 21474, Saudi Arabia. 2. Department of Physics, University of Karachi, Karachi 75270, Pakistan.

  8. 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.

  9. Local structure of a pure Bi A site polar perovskite revealed by pair distribution function analysis and reverse Monte Carlo modeling: correlated off-axis displacements in a rhombohedral material.

    Science.gov (United States)

    Chong, Samantha Y; Szczecinski, Robert J; Bridges, Craig A; Tucker, Matthew G; Claridge, John B; Rosseinsky, Matthew J

    2012-04-04

    Perovskite oxides with Bi(3+) on the A site are of interest as candidate replacements for lead-based piezoelectric ceramics. Current understanding of the chemical factors permitting the synthesis of ambient-pressure-stable perovskite oxides with Bi(3+) on the A site is limited to information derived from average structures. The local structure of the lead-free ferroelectric perovskite Bi(Ti(3/8)Fe(2/8)Mg(3/8))O(3) is studied by reverse Monte Carlo (RMC) modeling of neutron scattering data. The resultant model is consistent with the structure derived from diffraction but reveals key extra structural features due to correlated local displacements that are inaccessible from the average unit cell. The resulting structural picture emphasizes the need to combine symmetry-averaged long-range and local analysis of the structures of compositionally complex, substitutionally disordered functional materials. Local correlation of the off-axis displacements of the A site cation produces monoclinic domains consistent with the existence of displacement directions other than R ((p)) or T ((p)). The Bi displacements are correlated ferroelectrically both in the polar direction and orthogonal to it, providing evidence of the presence of monoclinic domains. The octahedral cation environments reveal distinct differences in the coordination geometry of the different B site metal ions. The local nature of these deviations and correlations makes them inaccessible to long-range averaged techniques. The resulting local structure information provides a new understanding of the stability of pure Bi(3+) A site perovskite oxides.

  10. 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.

  11. Linear response of homogeneous nuclear matter with energy density functionals

    Energy Technology Data Exchange (ETDEWEB)

    Pastore, A. [Institut d’Astronomie et d’Astrophysique, CP 226, Université Libre de Bruxelles, B-1050 Bruxelles (Belgium); Davesne, D., E-mail: davesne@ipnl.in2p3.fr [Institut de Physique Nucléaire de Lyon, CNRS-IN2P3, UMR 5822, Université Lyon 1, F-69622 Villeurbanne (France); Navarro, J. [IFIC (CSIC University of Valencia), Apdo. Postal 22085, E-46071 Valencia (Spain)

    2015-03-01

    Response functions of infinite nuclear matter with arbitrary isospin asymmetry are studied in the framework of the random phase approximation. The residual interaction is derived from a general nuclear Skyrme energy density functional. Besides the usual central, spin–orbit and tensor terms it could also include other components as new density-dependent terms or three-body terms. Algebraic expressions for the response functions are obtained from the Bethe–Salpeter equation for the particle–hole propagator. Applications to symmetric nuclear matter, pure neutron matter and asymmetric nuclear matter are presented and discussed. Spin–isospin strength functions are analyzed for varying conditions of density, momentum transfer, isospin asymmetry, and temperature for some representative Skyrme functionals. Particular attention is paid to the discussion of instabilities, either real or unphysical, which could manifest in finite nuclei.

  12. Energy-saving wastewater treatment systems: formulation of cost functions.

    Science.gov (United States)

    Nogueira, R; Ferreira, I; Janknecht, P; Rodríguez, J J; Oliveira, P; Brito, A G

    2007-01-01

    Natural interactions between water, soil, atmosphere, plants and microorganisms include physical, chemical and biological processes with decontaminating capacities. Natural or energy-saving wastewater treatment systems utilize these processes and thereby enable a sustainable management in the field of wastewater treatment, offering low investment and operation costs, little or no energy consumption, little and low-skill labor requirements, good landscape integration and excellent feasibility for small settlements, especially when remote from centralized sewer systems. The objective of this work is the development of cost functions for investment and operation of energy-saving wastewater treatment technologies. Cost functions are essential for making cost estimations based on a very reduced number of variables. The latter are easily identified and quantified and have a direct bearing on the costs in question. The formulated investment and operation cost functions follow a power law, and the costs decrease with the increase of the population served. The different energy-saving wastewater treatment systems serving small population settlements, between 50 p.e. and 250 p.e., present associated investment costs varying from 400 Euro/p.e. to 200 Euro/p.e. and annual operation costs in the range of 70 Euro/p.e. to 20 Euro/p.e., respectively.

  13. 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).

  14. Physiology of leptin: energy homeostasis, neuroendocrine function and metabolism

    Science.gov (United States)

    Park, Hyeong-Kyu; Ahima, Rexford S.

    2014-01-01

    Leptin is secreted by adipose tissue and regulates energy homeostasis, neuroendocrine function, metabolism, immune function and other systems through its effects on the central nervous system and peripheral tissues. Leptin administration has been shown to restore metabolic and neuroendocrine abnormalities in individuals with leptin-deficient states, including hypothalamic amenorrhea and lipoatrophy. In contrast, obese individuals are resistant to leptin. Recombinant leptin is beneficial in patients with congenital leptin deficiency or generalized lipodystrophy. However, further research on molecular mediators of leptin resistance is needed for the development of targeted leptin sensitizing therapies for obesity and related metabolic diseases. PMID:25199978

  15. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

    Energy Technology Data Exchange (ETDEWEB)

    McKechnie, Scott [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Booth, George H. [Theory and Simulation of Condensed Matter, King’s College London, The Strand, London WC2R 2LS (United Kingdom); Cohen, Aron J. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Cole, Jacqueline M., E-mail: jmc61@cam.ac.uk [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Argonne National Laboratory, 9700 S Cass Avenue, Argonne, Illinois 60439 (United States)

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  16. Nanocomposite functional paint sensor for infrared detecting and energy harvesting

    Science.gov (United States)

    Batra, Ashok K.; Bohara, Bir B.; Alomari, Almuatasim; Glenn, Chance M.; Currie, James R.

    2017-04-01

    This article reports the functionality of Paint/PMN-PT and Paint/PLZT composite films for use in pyroelectric infrared sensors and energy conversion devices. Smart Paint/Lead Magnesium Niobate-Lead Titanate (Paint/PMN-PT) and Paint/Lead Lanthanum Zirconate Titanate (Paint-PLZT) nanocomposite films have been fabricated by the conventional paint-brushing technique on copper substrate. The pyroelectric, piezoelectric, and dielectric properties of the composite films were measured for their use in uncooled infrared detectors and thermal energy conversion devices. The properties investigated include: dielectric constants (epsilon' and epsilon''); pyroelectric coefficient (p); and energy conversion performance. From the foregoing parameters, material's figure-of-merits, for infrared detection and thermal energy conversion, were calculated. The results indicated that paint composite films are functional and figure-of-merits increase with increase in amount of PMN-PT and PLZT nanoparticles in paint matrix. Based on the preliminary results obtained, composite films are reasonably attractive for use in uncooled thermal sensing elements, and thermal energy conversion devices for low power applications, especially in applications where flexible and curved surface sensors are required. With these factors in consideration, a novel cantilever system is designed and examined for its performance. The highest voltage output and power accomplished were 65 mV and 1 nano-Watts, respectively for a particular structure with a broad frequency response operating in the 31 mode of Paint/PMN-PT based harvester. Efforts have been made to investigate the performance of nanocomposite films on copper substrate to mechanical vibrations and thermal variations as well. Thus, could be utilized for energy scavenging combining piezoelectric and pyroelectric effects.

  17. Supersymmetric Displaced Number States

    Directory of Open Access Journals (Sweden)

    Fredy R. Zypman

    2015-06-01

    Full Text Available We introduce, generate and study a family of supersymmetric displaced number states (SDNS that can be considered generalized coherent states of the supersymmetric harmonic oscillator. The family is created from the seminal supersymmetric boson-fermion entangling annihilation operator introduced by Aragone and Zypman and later expanded by Kornbluth and Zypman. Using the momentum representation, the states are obtained analytically in compact form as displaced supersymmetric number states. We study their position-momentum uncertainties, and their bunchiness by classifying them according to their Mandel Q-parameter in phase space. We were also able to find closed form analytical representations in the space and number basis.

  18. Search for R-parity violating supersymmetry with displaced vertices

    CERN Document Server

    CMS Collaboration

    2016-01-01

    A search for $R$-parity violating supersymmetry has been performed using proton-proton collision data collected by the CMS experiment at a center-of-mass energy of $\\sqrt{s}=8~\\mathrm{TeV}$. The data analyzed correspond to an integrated luminosity of $17.6~\\mathrm{fb}^{-1}$. This search assumes a minimal flavor violating model where the lightest supersymmetric particle is a long-lived neutralino or gluino, leading to a signal with jets emanating from displaced vertices. Based on a sample of events with two displaced vertices, the pair production cross section is bounded as a function of mass and lifetime of the neutralino or gluino. For a mass of 400 GeV and mean proper decay length of 10 mm, the analysis excludes cross sections above $0.6~\\mathrm{fb}$ at $95\\%$ confidence level.

  19. Forced Displacement and Refugee

    African Journals Online (AJOL)

    Rutinwa: Forced Displacement and Refugee Rights in the Great Lakes 1 3 with the new problems associated with refugees, such as those outlined above. An effective system for refugee protection must be holistic and address the refugee problem at the levels of pre- vention, response and solution. At the level of prevention, ...

  20. 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.

  1. Iraqi Population Displacement Analysis

    Science.gov (United States)

    2016-11-01

    CONTRACT NUMBER Iraqi Population Displacement Analysis PDMC 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER Ms... infographic /iraq_cccm_idp_settlement_status_map_ 16_July_2015 xxii DTM ROUND XXII JUNE 2015 xxiii REACH, Vulnerability, Needs and Intentions of

  2. Proton-Proton Elastic Scattering Excitation Functions at Intermediate Energies

    Science.gov (United States)

    Albers, D.; Bisplinghoff, J.; Bollmann, R.; Büßer, K.; Cloth, P.; Daniel, R.; Diehl, O.; Dohrmann, F.; Engelhardt, H. P.; Ernst, J.; Eversheim, P. D.; Gasthuber, M.; Gebel, R.; Greiff, J.; Groß, A.; Groß-Hardt, R.; Heider, S.; Heine, A.; Hinterberger, F.; Igelbrink, M.; Jahn, R.; Jeske, M.; Lahr, U.; Langkau, R.; Lindlein, J.; Maier, R.; Maschuw, R.; Mayer-Kuckuk, T.; Mosel, F.; Müller, M.; Münstermann, M.; Prasuhn, D.; Rohdjeß, H.; Rosendaal, D.; Roß, U.; von Rossen, P.; Scheid, H.; Schirm, N.; Schulz-Rojahn, M.; Schwandt, F.; Schwarz, V.; Scobel, W.; Sterzenbach, G.; Trelle, H. J.; Wellinghausen, A.; Wiedmann, W.; Woller, K.; Ziegler, R.

    1997-03-01

    Excitation functions of proton-proton elastic scattering cross sections have been measured in narrow steps for projectile momenta pp (energies Tp) from 1100 to 3300 MeV/c (500 to 2500 MeV) in the angular range 35°<=Θc.m.<=90° with a detector providing ΔΘc.m.~1.4° resolution. Measurements have been performed continuously during projectile acceleration in the cooler synchrotron COSY with an internal CH2 fiber target, taking particular care to monitor luminosity as a function of Tp. The advantages of this experimental technique are demonstrated, and the excitation functions obtained are compared to existing cross section data. No evidence for narrow structures was found.

  3. Proton-Proton Elastic Scattering Excitation Functions at Intermediate Energies

    Energy Technology Data Exchange (ETDEWEB)

    Bisplinghoff, J.; Daniel, R.; Diehl, O.; Engelhardt, H.; Ernst, J.; Eversheim, P.; Gro-Hardt, R.; Heider, S.; Heine, A.; Hinterberger, F.; Jahn, R.; Jeske, M.; Lahr, U.; Maschuw, R.; Mayer-Kuckuk, T.; Mosel, F.; Rohdje, H.; Rosendaal, D.; Ro, U.; Scheid, H.; Schulz-Rojahn, M.; Schwandt, F.; Schwarz, V.; Trelle, H.; Wiedmann, W.; Ziegler, R. [Inst.fuer Strahlen- und Kernphysik, Universitaet Bonn, D-53115 Bonn (Germany); Albers, D.; Bollmann, R.; Bueer, K.; Dohrmann, F.; Gasthuber, M.; Greiff, J.; Gro, A.; Igelbrink, M.; Langkau, R.; Lindlein, J.; Mueller, M.; Muenstermann, M.; Schirm, N.; Scobel, W.; Wellinghausen, A.; Woller, K. [I. Inst.fuer Experimentalphysik, Universitaet Hamburg, D-22761 Hamburg (Germany); Cloth, P.; Gebel, R.; Maier, R.; Prasuhn, D.; von Rossen, P.; Sterzenbach, G. [Inst.fuer Kernphysik, KFA Juelich, Juelich (Germany)

    1997-03-01

    Excitation functions of proton-proton elastic scattering cross sections have been measured in narrow steps for projectile momenta p{sub p} (energies T{sub p}) from 1100 to 3300MeV/c (500 to 2500MeV) in the angular range 35{degree}{le}{Theta}{sub c.m.}{le}90{degree} with a detector providing {Delta}{Theta}{sub c.m.}{approx}1.4{degree} resolution. Measurements have been performed continuously during projectile acceleration in the cooler synchrotron COSY with an internal CH{sub 2} fiber target, taking particular care to monitor luminosity as a function of T{sub p}. The advantages of this experimental technique are demonstrated, and the excitation functions obtained are compared to existing cross section data. No evidence for narrow structures was found. {copyright} {ital 1997} {ital The American Physical Society}

  4. Density functional calculations on structural materials for nuclear energy applications and functional materials for photovoltaic energy applications (abstract only).

    Science.gov (United States)

    Domain, C; Olsson, P; Becquart, C S; Legris, A; Guillemoles, J F

    2008-02-13

    Ab initio density functional theory calculations are carried out in order to predict the evolution of structural materials under aggressive working conditions such as cases with exposure to corrosion and irradiation, as well as to predict and investigate the properties of functional materials for photovoltaic energy applications. Structural metallic materials used in nuclear facilities are subjected to irradiation which induces the creation of large amounts of point defects. These defects interact with each other as well as with the different elements constituting the alloys, which leads to modifications of the microstructure and the mechanical properties. VASP (Vienna Ab initio Simulation Package) has been used to determine the properties of point defect clusters and also those of extended defects such as dislocations. The resulting quantities, such as interaction energies and migration energies, are used in larger scale simulation methods in order to build predictive tools. For photovoltaic energy applications, ab initio calculations are used in order to search for new semiconductors and possible element substitutions for existing ones in order to improve their efficiency.

  5. Permeability of displaced fractures

    Science.gov (United States)

    Kluge, Christian; Milsch, Harald; Blöcher, Guido

    2017-04-01

    Flow along fractures or in fissured systems becomes increasingly important in the context of Enhanced Geothermal Systems (EGS), shale gas recovery or nuclear waste deposit. Commonly, the permeability of fractures is approximated using the Hagen-Poiseuille solution of Navier Stokes equation. Furthermore, the flow in fractures is assumed to be laminar flow between two parallel plates and the cubic law for calculating the velocity field is applied. It is a well-known fact, that fracture flow is strongly influenced by the fracture surface roughness and the shear displacement along the fracture plane. Therefore, a numerical approach was developed which calculates the flow pattern within a fracture-matrix system. The flow in the fracture is described by a free fluid flow and the flow in the matrix is assumed to be laminar and therefore validates Darcy's law. The presented approach can be applied for artificially generated fractures or real fractures measured by surface scanning. Artificial fracture surfaces are generated using the power spectral density of the surface height random process with a spectral exponent to define roughness. For calculating the permeability of such fracture-matrix systems the mean fracture aperture, the shear displacement and the surface roughness are considered by use of a 3D numerical simulator. By use of this approach correlation between shear displacement and mean aperture, shear displacement and permeability, as well as surface roughness and permeability can be obtained. Furthermore, the intrinsic measured permeability presents a combination of matrix and fracture permeability. The presented approach allows the separation and quantification of the absolute magnitudes of the matrix and the fracture permeability and the permeability of displaced fractures can be calculated. The numerical approach which is a 3D numerical simulation of the fracture-matrix system can be applied for artificial as well as real systems.

  6. Data for calculating population, collision and displacement vulnerability among marine birds of the California Current System associated with offshore wind energy infrastructure (version 2.0, June 2017)

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — The U.S. Geological Survey, Western Ecological Research Center (USGS-WERC) was requested by the Bureau of Ocean Energy Management (BOEM) to create a database for...

  7. Quantitative ionization energies and work functions of aqueous solutions.

    Science.gov (United States)

    Olivieri, Giorgia; Goel, Alok; Kleibert, Armin; Cvetko, Dean; Brown, Matthew A

    2016-10-26

    Despite the ubiquitous nature of aqueous solutions across the chemical, biological and environmental sciences our experimental understanding of their electronic structure is rudimentary-qualitative at best. One of the most basic and seemingly straightforward properties of aqueous solutions-ionization energies-are (qualitatively) tabulated at the water-air interface for a mere handful of solutes, and the manner in which these results are obtained assume the aqueous solutions behave like a gas in the photoelectron experiment (where the vacuum levels of the aqueous solution and of the photoelectron analyzer are equilibrated). Here we report the experimental measure of a sizeable offset (ca. 0.6 eV) between the vacuum levels of an aqueous solution (0.05 M NaCl) and that of our photoelectron analyzer, indicating a breakdown of the gas-like vacuum level alignment assumption for the aqueous solution. By quantifying the vacuum level offset as a function of solution chemical composition our measurements enable, for the first time, quantitative determination of ionization energies in liquid solutions. These results reveal that the ionization energy of liquid water is not independent of the chemical composition of the solution as is usually inferred in the literature, a finding that has important ramifications as measured ionization energies are frequently used to validate theoretical models that posses the ability to provide microscopic insight not directly available by experiment. Finally, we derive the work function, or the electrochemical potential of the aqueous solution and show that it too varies with the chemical composition of the solution.

  8. Inferring Parametric Energy Consumption Functions at Different Software Levels

    DEFF Research Database (Denmark)

    Liqat, Umer; Georgiou, Kyriakos; Kerrison, Steve

    2016-01-01

    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...... written in the XC language running on XCore architectures, but is general enough to be applied to other languages. Experimental results show that our LLVM IR level analysis is reasonably accurate (less than 6.4% average error vs. hardware measurements) and more powerful than analysis at the ISA level...

  9. Nuclear clustering in the energy density functional approach

    Energy Technology Data Exchange (ETDEWEB)

    Ebran, J.-P., E-mail: jean-paul.ebran@cea.fr [CEA,DAM,DIF, F-91297 Arpajon (France); Khan, E. [Institut de Physique Nucléaire, Université Paris-Sud CEA, IN2P3 CNRS, F-91406 Orsay Cedex (France); Nikšić, T.; Vretenar, D. [Physics Department, Faculty of Science, University of Zagreb, 10000 Zagreb (Croatia)

    2015-10-15

    Nuclear Energy Density Functionals (EDFs) are a microscopic tool of choice extensively used over the whole chart to successfully describe the properties of atomic nuclei ensuing from their quantum liquid nature. In the last decade, they also have proved their ability to deal with the cluster phenomenon, shedding a new light on its fundamental understanding by treating on an equal footing both quantum liquid and cluster aspects of nuclei. Such a unified microscopic description based on nucleonic degrees of freedom enables to tackle the question pertaining to the origin of the cluster phenomenon and emphasizes intrinsic mechanisms leading to the emergence of clusters in nuclei.

  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. Tests for character displacement.

    Science.gov (United States)

    Sinclair, D F; Mosimann, J E; Meeter, D A

    1985-12-01

    Character displacement is an important concept in ecology which has been surrounded by controversy due largely to a lack of clearly stated hypotheses and statistical tests. Existing tests implicity assume random species sizes estimated without error--a random-effects model. We introduce the log-uniform distribution for species sizes and show that it has properties of direct relevance to character displacement. We present tests which assume uniform and log-normal species sizes and have the log-uniform distribution as an alternative. The tests have low power for sample sizes typically encountered in ecology. The effect of estimating species sizes is small. The results exemplify the shortcomings of the traditional random-effects model for species sizes.

  12. Displacing the Patient

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    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...... and market as mutually exclusive (Mol 2008), care and market appear to be intertwined in political patient figures through which the organization is trying to manage and transform itself from the inside...

  13. 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.

  14. Miniaturised optical displacement sensor

    Science.gov (United States)

    Gindele, Frank; Gaul, Frank; Kraus, Silvio; Sigloch, Susanne; Teubner, Ulrich

    2004-09-01

    The primary object presented in this contribution is the miniaturization of a displacement sensor system with the potential for high accuracy measurements and for cost-effective production in polymers. The measurement of linear displacements can be performed by different methods e.g. magnetoresistive, potentiometric, electromagnetic or inductive encoder systems. For movements in the millimeter range and above the most precise systems are based on optical methods. The displacement measurement of our sensor system uses the intensity modulation of two amplitude gratings, moving relative to each other and illuminated by a LED. To increase the system resolution and the signal quality the grating/detector combination is divided into four areas which are phase shifted to each other. The grating period is 25 μm with a geometrical accuracy below 1 μm. The amplitude gratings have been processed on a glass substrate lithographically. Applying electro-discharge machining a miniaturised optical bench for the passive alignment of the optical and the opto-electronic components has been realised. The sensor has an overall size of 6x4x3 mm3 and is designed for the future replication in one single polymer part. In combination with an electronic interpolation the sensor will be capable for a sub-micrometer accuracy.

  15. 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)

  16. 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.

  17. Quasiparticle energies and dielectric functions of diamond polytypes

    Science.gov (United States)

    Sakurai, Masahiro; Chelikowsky, James R.; Louie, Steven G.; Saito, Susumu

    2017-10-01

    We perform ab initio many-body Green's function calculations to investigate the quasiparticle energies and optical properties of diamond polytypes that have been predicted to be producible via a pressure-induced structural phase transition from carbon nanotube solids. We find, through quasiparticle band-structure calculations within the G W approximation, that the band gaps of two hexagonal (2 H - and 4 H -type) polytypes of diamond differ significantly from that of cubic diamond as well as from that of the crystalline s p3 carbon phase with a body-centered-tetragonal structure, called bct C4. We also examine the dielectric functions of three polytypes of diamond (cubic, 2 H , and 4 H ) by employing the G W plus Bethe-Salpeter equation approach. The calculated optical absorption spectra are found to be distinct from each other. The lattice mismatches of carbon layers of these diamond polytypes are very small and the total-energy differences are also small. Our work opens up the possibility of fabricating diamond superlattices with various electronic and optoelectronic properties by utilizing and controlling the different stacking sequences of carbon layers.

  18. Protein side chain conformation predictions with an MMGBSA energy function.

    Science.gov (United States)

    Gaillard, Thomas; Panel, Nicolas; Simonson, Thomas

    2016-06-01

    The prediction of protein side chain conformations from backbone coordinates is an important task in structural biology, with applications in structure prediction and protein design. It is a difficult problem due to its combinatorial nature. We study the performance of an "MMGBSA" energy function, implemented in our protein design program Proteus, which combines molecular mechanics terms, a Generalized Born and Surface Area (GBSA) solvent model, with approximations that make the model pairwise additive. Proteus is not a competitor to specialized side chain prediction programs due to its cost, but it allows protein design applications, where side chain prediction is an important step and MMGBSA an effective energy model. We predict the side chain conformations for 18 proteins. The side chains are first predicted individually, with the rest of the protein in its crystallographic conformation. Next, all side chains are predicted together. The contributions of individual energy terms are evaluated and various parameterizations are compared. We find that the GB and SA terms, with an appropriate choice of the dielectric constant and surface energy coefficients, are beneficial for single side chain predictions. For the prediction of all side chains, however, errors due to the pairwise additive approximation overcome the improvement brought by these terms. We also show the crucial contribution of side chain minimization to alleviate the rigid rotamer approximation. Even without GB and SA terms, we obtain accuracies comparable to SCWRL4, a specialized side chain prediction program. In particular, we obtain a better RMSD than SCWRL4 for core residues (at a higher cost), despite our simpler rotamer library. Proteins 2016; 84:803-819. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  19. In-capillary probing of quantum dots and fluorescent protein self-assembly and displacement using Förster resonance energy transfer.

    Science.gov (United States)

    Wang, Jianhao; Fan, Jie; Li, Jinchen; Liu, Li; Wang, Jianpeng; Jiang, Pengju; Liu, Xiaoqian; Qiu, Lin

    2017-02-01

    Herein, a Förster resonance energy transfer system was designed, which consisted of CdSe/ZnS quantum dots donor and mCherry fluorescent protein acceptor. The quantum dots and the mCherry proteins were conjugated to permit Förster resonance energy transfer. Capillary electrophoresis with fluorescence detection was used for the analyses for the described system. The quantum dots and mCherry were sequentially injected into the capillary, while the real-time fluorescence signal of donor and acceptor was simultaneously monitored by two channels with fixed wavelength detectors. An effective separation of complexes from free donor and acceptor was achieved. Results showed quantum dots and hexahistidine tagged mCherry had high affinity and the assembly was affected by His6 -mCherry/quantum dot molar ratio. The kinetics of the self-assembly was calculated using the Hill equation. The microscopic dissociation constant values for out of- and in-capillary assays were 10.49 and 23.39 μM, respectively. The capillary electrophoresis with fluorescence detection that monitored ligands competition assay further delineated the different binding capacities of histidine containing peptide ligands for binding sites on quantum dots. This work demonstrated a novel approach for the improvement of Förster resonance energy transfer for higher efficiency, increased sensitivity, intuitionistic observation, and low sample requirements of the in-capillary probing system. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. 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.

  1. Displacement Data Assimilation

    Science.gov (United States)

    Restrepo, J. M.; Rosenthal, S.; Venkataramani, S.

    2013-05-01

    Geometric corrections are blended with nonlinear/non-Gaussian estimation methods to produced improved data assimilation outcomes on problems where features are critical. Problems of this sort are the estimation of hurricane tracks, tracking jet meandering, front propagation, among many others. The geometric correction is made possible by a data preserving map. It makes corrections on phase, primarily, as well as in the amplitude. The displacement assimilation is embedded in the analysis stage of a nonlinear/non-Gaussian Bayesian data assimilation scheme, such as the path integral method. In addition to showing how the method improves upon the results, as compared to more standard methodologies.

  2. Characteristics of p-i-n diodes basing on displacement damage detector

    Science.gov (United States)

    Jing, Sun; Qi, Guo; Xin, Yu; Cheng-Fa, He; Wei-Lei, Shi; Xing-Yao, Zhang

    2017-10-01

    A displacement damage detector is designed and its characteristics are tested with 10 MeV proton irradiation. The testing result shows that the detector's readout changes linearly with the fluence of proton beam up to 1012 proton/cm2. However, a significant damage enhancement factor has been observed for 1.8 MeV electron irradiation when the classic non-ionizing energy loss (NIEL) is used for calculating equivalent displacement damage. Since the prediction based on classical NIEL model cannot fit low energy incident well, low energy particles induced displacement damage mechanism, defect generation, recombination and effective NIEL modification is discussed by molecular dynamics (MD) model. The effective NIEL is validated by measuring the detector's response under 1.8 MeV electron irradiation. The equivalent displacement damage between different particles is discussed through scaling factor, damage factor, and damage enhancement factor. By this method, the application of degradation function can be expanded to low energy particles by using effective NIEL.

  3. Management of an extremely displaced maxillary canine.

    Science.gov (United States)

    Grande, Torsten; Stolze, Annemarie; Goldbecher, Heiko

    2005-07-01

    Aligning a displaced maxillary canine into the dental arch is one of the most complicated problems in orthodontics. In cases of extremely high displacement, the tooth is frequently removed surgically. Because of the upper canines' significance to dental esthetics and functional occlusion, such a decision is a very serious one. This case report illustrates the treatment of an extremely high displaced maxillary canine. The main diagnosis was the displacement and the retention of tooth 13 (in nearly horizontal position, apical to the neighboring teeth); further diagnoses were: transversal maxillary deficiency with frontal crowding and a distal bite of one premolar in width, a deep bite of 6 mm with contact in the palatal mucosa, mandibular midline deviation of 2.5 mm to the right, lingual eruption of teeth 32 and 42, retroinclination of the maxillary incisors, and retarded eruption of the permanent teeth. Initial treatment with active and functional appliances to correct the distal bite, midline deviation and deep bite. Surgical exposure of the high displaced canine at the age of 14. Onset of cuspid elongation with removable appliances and elastics, further movement with a transpalatinal bar and welded arm, and full alignment of the upper and lower arches with fixed appliances in both jaws. Stabilization of the orthodontic treatment results with retention devices. Duration of treatment: 5 years and 8 months. For the alignment of tooth 13, 2 years and 10 months were required; 1 year and 4 months were necessary with complete fixed appliance. The aim of this case report was to demonstrate the potential of aligning an extremely displaced canine. Because of the esthetic and functional importance of the upper canines, therapeutic alignment should be initiated, provided there are no indications to the contrary.

  4. 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.

  5. 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.

  6. 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....

  7. Measurements of injected beam deflections at the exit of a cyclotron inflector as a function of applied field or beam energy perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Dehnel, M.P.; Erdman, K.L. [Ebco Technologies Inc., Richmond B.C. (Canada); Root, L.; Kuo, T. [TRIUMF, Vancouver B.C. (Canada)

    1999-07-01

    Measurements of the central trajectories of 25 keV H{sup -} beams at the exit of the EBCO/TRIUMF 1 MeV Test Cyclotron's spiral inflector have been made using quartz scintillators, a TV Camera, and image analysis equipment and software. Plots of the displacement of the central trajectories as a function of inflector electric potential, cyclotron magnetic field and beam injection energy changes are shown, and are compared to numerically computed data generated from an inflector design program. Details of the experimental methods, the hardware set-up and the results are reported. (author)

  8. 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.

  9. 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

  10. Parathyroid function following total thyroidectomy using energy devices.

    Science.gov (United States)

    Ciftci, Fatih; Sakalli, Erdal; Abdurrahman, Ibrahim; Guler, Burak

    2016-07-01

    LigaSure precise (LP) and harmonic scalpel (HS) are two energy-based devices used in thyroidectomy surgery. We aimed to compare the effect of these two devices in patients who had undergone total thyroidectomy, by highlighting the post-operative parathyroid function. A total of 201 consecutive patients for whom total thyroidectomy had been planned were prospectively classified into two groups. There were 104 patients in LP group and 97 patients in HS group. Hypoparathyroidism was followed up by serially measuring the levels of intact parathyroid hormone (iPTH) and serum calcium. The early iPTH level was 29 (8-50) pg/mL in group LP, and 17 (4-43) pg/mL in group HS. The early iPTH level was significantly lower in the HS group (p parathyroid hormone levels impaired in the HS group more than LP group in the early period, these levels were in the normal limits in both groups. These levels were not significant between groups in the long time period.

  11. Towards a Microscopic Reaction Description Based on Energy Density Functionals

    Energy Technology Data Exchange (ETDEWEB)

    Nobre, G A; DIetrich, F S; Escher, J E; Thompson, I J; Dupuis, M; Terasaki, J; Engel, J

    2011-09-26

    A microscopic calculation of reaction cross sections for nucleon-nucleus scattering has been performed by explicitly coupling the elastic channel to all particle-hole excitations in the target and one-nucleon pickup channels. The particle-hole states may be regarded as doorway states through which the flux flows to more complicated configurations, and subsequently to long-lived compound nucleus resonances. Target excitations for {sup 40,48}Ca, {sup 58}Ni, {sup 90}Zr and {sup 144}Sm were described in a random-phase framework using a Skyrme functional. Reaction cross sections obtained agree very well with experimental data and predictions of a state-of-the-art fitted optical potential. Couplings between inelastic states were found to be negligible, while the pickup channels contribute significantly. The effect of resonances from higher-order channels was assessed. Elastic angular distributions were also calculated within the same method, achieving good agreement with experimental data. For the first time observed absorptions are completely accounted for by explicit channel coupling, for incident energies between 10 and 70 MeV, with consistent angular distribution results.

  12. Stored energy function of rubberlike materials derived from simple tensile data.

    Science.gov (United States)

    Peng, T. J.; Landel, R. F.

    1972-01-01

    An explicit formulation is developed to obtain the stored energy function, based on the Valanis-Landel separable symmetric stored energy function. This formulation is applicable to any multiaxial stress state, from simple tensile data alone, for those cases in which the stored energy function is a separable function of the stretch ratios. By direct comparison, it is also shown that styrene butadiene rubber, at least over a specific range, follows this postulated separable form.

  13. 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 ...

  14. Point Coupled Displacement Sensor Project

    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...

  15. Functional limits of agreement applied as a novel method comparison tool for accuracy and precision of inertial measurement unit derived displacement of the distal limb in horses.

    Science.gov (United States)

    Olsen, Emil; Pfau, Thilo; Ritz, Christian

    2013-09-03

    Over ground motion analysis in horses is limited by a small number of strides and restraints of the indoor gait laboratory. Inertial measurement units (IMUs) are transforming the knowledge of human motion and objective clinical assessment through the opportunity to obtain clinically relevant data under various conditions. When using IMUs on the limbs of horses to determine local position estimates, conditions with high dynamic range of both accelerations and rotational velocities prove particularly challenging. Here we apply traditional method agreement and suggest a novel method of functional data analysis to compare motion capture with IMUs placed over the fetlock joint in seven horses. We demonstrate acceptable accuracy and precision at less than or equal to 5% of the range of motion for detection of distal limb mounted cranio-caudal and vertical position. We do not recommend the use of the latero-medial position estimate of the distal metacarpus/metatarsus during walk where the average error is 10% and the maximum error 111% of the range. We also show that functional data analysis and functional limits of agreement are sensitive methods for comparison of cyclical data and could be applied to differentiate changes in gait for individuals across time and conditions. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. 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...

  17. Relative contribution of different muscle energy consumption processes in an energy-based muscle load sharing cost function

    NARCIS (Netherlands)

    Nikooyan, A.A.; Veeger, H.E.J.; Westerhoff, P.; Bergmann, G.; van der Helm, F.C.T.

    2013-01-01

    The aim of this study is to quantify the relative contributions of two muscle energy consumption processes (the detachment of cross-bridges and calcium-pumping) incorporated in a recently developed muscle load sharing cost function, namely the energy-based criterion, by using in vivo measured

  18. 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.

  19. Energy-saving wastewater treatment systems : formulation of cost functions

    OpenAIRE

    Nogueira, R.; Ferreira, I.; Janknecht, P; Rodríguez, Juan José; de Oliveira, Pedro; A. G. Brito

    2007-01-01

    Natural interactions between water, soil, atmosphere, plants and microorganisms include physical, chemical and biological processes with decontaminating capacities. Natural or energy-saving wastewater treatment systems utilize these processes and thereby enable a sustainable management in the field of wastewater treatment, offering low investment and operation costs, little or no energy consumption, little and low-skill labor requirements, good landscape integration and excellent ...

  20. A new four-parameter empirical potential energy function for ...

    Indian Academy of Sciences (India)

    A new empirical four-parameter function is proposed for the construction of potential curves of 15 stable states of diatomic molecules. The parameters are evaluated in terms of experimentally known spectroscopic constants. On comparing its performance with other functions, the proposed function is found to be simple and ...

  1. Energy substrates to support glutamatergic and GABAergic synaptic function

    DEFF Research Database (Denmark)

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

    2007-01-01

    not only during aglycemia but also during normoglycemia. These issues are discussed and it is concluded that both glucose and lactate are of importance for the maintenance of normal glutamatergic and GABAergic activity. However, with regard to maintenance of an adequate capacity for glutamate transport......Maintenance of glutamatergic and GABAergic activity requires a continuous supply of energy since the exocytotic processes as well as high affinity glutamate and GABA uptake and subsequent metabolism of glutamate to glutamine are energy demanding processes. The main energy substrate for the brain...

  2. Energy Use Efficiency in Indian Cement Industry: Application of Data Envelopment Analysis and Directional Distance Function

    OpenAIRE

    Sabuj Kumar Mandal; S Madheswaran

    2009-01-01

    The present paper aims at measuring energy use efficiency in Indian cement industry and estimating the factors explaining inter-firm variations in energy use efficiency. Within the framework of production theory, Data Envelopment Analysis (DEA) and directional distance function (DDF) have been used to measure energy use efficiency. Using data from electronic CMIE PROWESS data base for the years 1989-90 through 2006-07, the study first estimates energy efficiency and then compares the energy e...

  3. Pair Interaction Energy Decomposition Analysis for Density Functional Theory and Density-Functional Tight-Binding with an Evaluation of Energy Fluctuations in Molecular Dynamics.

    Science.gov (United States)

    Fedorov, Dmitri G; Kitaura, Kazuo

    2018-02-15

    Pair interaction energy decomposition analysis in the fragment molecular orbital (FMO) method is extended to treat density functional theory (DFT) and density-functional tight-binding (DFTB). Fluctuations of energy contributions are obtained from molecular dynamics simulations. Interactions at the DFT and DFTB levels are compared to the values obtained with Hartree-Fock, second-order Møller-Plesset (MP2), and coupled cluster methods. Hydrogen bonding in water clusters is analyzed. 200 ps NVT molecular dynamics simulations are performed with FMO for two ligands bound to the Trp-cage miniprotein (PDB 1L2Y ); the fluctuations of fragment energies and interactions are analyzed.

  4. Energy-like Liapunov functionals for linear elastic systems on a Hilbert space.

    Science.gov (United States)

    Walker, J. A.

    1973-01-01

    An approach is presented for generating energy-like functionals for linear elastic dynamic systems on a Hilbert space. The objective is to obtain a family of functionals which may be used for stability analysis of the equilibrium, i.e., Liapunov functionals. Although the energy functional, when one exists, is always a member of this family, the family is shown to exist even when an energy functional does not. Several discrete and distributed-parameter examples are presented, as are certain specific techniques for utilizing this approach.

  5. Internal displacement in eastern Burma

    Directory of Open Access Journals (Sweden)

    Heather Rae

    2007-07-01

    Full Text Available The history of post-independent Burma is characterisedby numerous conflicts in this extraordinarily heterogeneous country. Since military rule began in 196 2 Burmahas witnessed gross human rights abuses andmassive displacement.

  6. Energy Availability and Reproductive Function in Female Endurance Athletes

    DEFF Research Database (Denmark)

    Melin, Anna Katarina

    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...

  7. Surgical treatment of displaced acetabular fractures

    Directory of Open Access Journals (Sweden)

    Milenković Saša

    2011-01-01

    Full Text Available Introduction. Acetabular fractures are severe injuries, generally caused by high-energy trauma, most frequently from traffic accidents or falls from heights. Fractures of the extremities, head injuries, chest, abdomen and pelvic ring injuries are most commonly associated injuries. Objective. The purpose of this study was to evaluate the results of open reduction and internal fixation of acetabular fractures. The open anatomical reduction of the articular surface combined with a rigid internal fixation and early mobilisation have become the standard treatment of these injuries. Methods. We conducted a retrospective analysis of 22 patients of average age 43.13 years. The patients were treated by open reduction and internal fixation at the Orthopaedic Clinic of Niš from 2005-2009. The follow-up was 12 to 60 months, with the average of 21.18 months after surgery. Results. All injured patients were operated on between 4 and 11 days (5.7 days on the average. According to the classification by Judet and Letournel, 15 (68.18% patients had an elementary acetabular fracture, whereas 7 (31.82% patients had associated fracture. A satisfactory postoperative reduction implying less than 2 mm of displacement was achieved in 19 (86.36% patients. The radiological status of the hip joint, determined according to Matta score, was excellent in 15 (68.18% patients, good in 4 (18.18% patients and moderate in 3 (13.63% patients. According to Merle d’Aubigné Scale, the final functional results of the treatment of all operated patients were excellent in 12 (54.54% patients, good in 7 (31.81% patients and moderate in 3 (13.63% patients. Conclusion. Surgical treatment of dislocated acetabular fractures requires an open reduction and a stable internal fixation. Excellent and good results can be expected only if anatomical reduction and stable internal fixation are achieved.

  8. Determination of the adsorption energy distribution function with the LOGA method.

    NARCIS (Netherlands)

    Koopal, L.K.; Nederlof, M.M.; Riemsdijk, van W.H.

    1990-01-01

    A method to determine the adsorption energy distribution function from adsorption data is presented. The overall isotherm on a heterogeneous surface is the summation of local adsorption contributions. The distribution function of the adsorption energy of affinity can be calculated, provided the

  9. Efficient effective-energy method for lattice-Green's-function simulations of fracture

    Science.gov (United States)

    Canel, L. M.; Carlsson, A. E.; Thomson, Robb

    1995-07-01

    This paper discusses a method for finding equilibria within the lattice-Green's-function formulation. The method involves the creation of an energy functional expressed just in terms of a small subset of the (>106) total number of degrees of freedom. It is much more efficient and robust numerically than former methods of solution of the Green's-function equations, particularly when the subset becomes scrO(103). The energy functional may be used in conjuction with state of the art conjugate gradient, quasi-Newton or simulated annealing methods to find minimum-energy configurations and compare their energies. In addition, if constraints are placed on the allowed relations between a few of the degrees of freedom then the method may be used to find the energies of unstable equilibria and hence activation energies.

  10. 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

    the formation energy of the oxygen molecule and the electron self-interaction for localized d and f electrons are known shortcomings. In this paper we show that despite the known problems, it is possible to calculate the stability of a wide range of rutile oxides MO2, with M being Pt, Ru, Ir, Os, Pb, Re, Mn, Se...

  11. From Theory to Econometrics to Energy Policy: Cautionary Tales for Policymaking Using Aggregate Production Functions

    OpenAIRE

    Heun, MK; Santos, J; Brockway, PE; Pruim, R; Domingos, T.; Sakai, M.

    2017-01-01

    Development of energy policy is often informed by economic considerations via aggregate production functions (APFs). We identify a theory-to-policy process involving APFs comprised of six steps: (1) selecting a theoretical energy-economy framework; (2) formulating modeling approaches; (3) econometrically fitting an APF to historical economic and energy data; (4) comparing and evaluating modeling approaches; (5) interpreting the economy; and (6) formulating energy and economic policy. We find ...

  12. Charge-displacement analysis for excited states

    Energy Technology Data Exchange (ETDEWEB)

    Ronca, Enrico, E-mail: enrico@thch.unipg.it; Tarantelli, Francesco, E-mail: francesco.tarantelli@unipg.it [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, via Elce di Sotto 8, I-06123 Perugia (Italy); Pastore, Mariachiara, E-mail: chiara@thch.unipg.it; Belpassi, Leonardo; De Angelis, Filippo [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Angeli, Celestino; Cimiraglia, Renzo [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, via Borsari 46, I-44100 Ferrara (Italy)

    2014-02-07

    We extend the Charge-Displacement (CD) analysis, already successfully employed to describe the nature of intermolecular interactions [L. Belpassi et al., J. Am. Chem. Soc. 132, 13046 (2010)] and various types of controversial chemical bonds [L. Belpassi et al., J. Am. Chem. Soc. 130, 1048 (2008); N. Salvi et al., Chem. Eur. J. 16, 7231 (2010)], to study the charge fluxes accompanying electron excitations, and in particular the all-important charge-transfer (CT) phenomena. We demonstrate the usefulness of the new approach through applications to exemplary excitations in a series of molecules, encompassing various typical situations from valence, to Rydberg, to CT excitations. The CD functions defined along various spatial directions provide a detailed and insightful quantitative picture of the electron displacements taking place.

  13. Coisotropic Displacement and Small Subsets of a Symplectic Manifold

    NARCIS (Netherlands)

    Ziltener, Fabian; Swoboda, J.

    2012-01-01

    We prove a coisotropic intersection result and deduce the following: Lower bounds on the displacement energy of a subset of a symplectic manifold, in particular a sharp stable energy-Gromov-width inequality. A stable non-squeezing result for neighborhoods of products of unit spheres. Existence of a

  14. The association between energy cost of walking and physical function in older adults.

    Science.gov (United States)

    Wert, David M; Brach, Jennifer S; Perera, Subashan; VanSwearingen, Jessie

    2013-01-01

    To assess the association between energy cost of walking and self-report of function, independent of comorbidity and gait speed, in older adults with mobility limitations. This cross-sectional observational study was conducted within an ambulatory clinical research training center. Forty-two older adults, age 65 and older, with slow and variable gait participated. Function was assessed using the Late Life Function and Disability Index-Basic Lower Extremity Subscale, while energy cost of walking was derived by standardizing the mean oxygen consumption recorded during physiological steady state by gait speed. Comorbidity and gait speed were collected as co-variates. Pearson's r correlation coefficient and regression analyses were used to assess the relationship between energy cost and function. Energy cost of walking was significantly correlated with self-reported function (Pearson's r=-0.50, penergy cost of walking explained an additional 17% (p=0.002) of the variance in self-reported function above and beyond the variance explained by comorbidity and gait speed combined. Energy cost of walking is emerging as another significant factor related to functional performance among older adults, even after controlling for comorbidity and gait speed - robust variables known for their strong contributions to function. Knowledge of and attention to the efficiency of how one moves (high energy cost of walking) may enhance rehabilitation efforts to further reduce "functional burden" in older adults. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  15. 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.

  16. Beyond Leptin: Emerging Candidates for the Integration of Metabolic and Reproductive Function during Negative Energy Balance.

    Science.gov (United States)

    True, Cadence; Grove, Kevin L; Smith, M Susan

    2011-01-01

    Reproductive status is tightly coupled to metabolic state in females, and ovarian cycling in mammals is halted when energy output exceeds energy input, a metabolic condition known as negative energy balance. This inhibition of reproductive function during negative energy balance occurs due to suppression of gonadotropin-releasing hormone (GnRH) release in the hypothalamus. The GnRH secretagogue kisspeptin is also inhibited during negative energy balance, indicating that inhibition of reproductive neuroendocrine circuits may occur upstream of GnRH itself. Understanding the metabolic signals responsible for the inhibition of reproductive pathways has been a compelling research focus for many years. A predominant theory in the field is that the status of energy balance is conveyed to reproductive neuroendocrine circuits via the adipocyte hormone leptin. Leptin is stimulatory for GnRH release and lower levels of leptin during negative energy balance are believed to result in decreased stimulatory drive for GnRH cells. However, recent evidence found that restoring leptin to physiological levels did not restore GnRH function in three different models of negative energy balance. This suggests that although leptin may be an important permissive signal for reproductive function as indicated by many years of research, factors other than leptin must critically contribute to negative energy balance-induced reproductive inhibition. This review will focus on emerging candidates for the integration of metabolic status and reproductive function during negative energy balance.

  17. Job Displacement Among Single Mothers:

    Science.gov (United States)

    Brand, Jennie E.; Thomas, Juli Simon

    2015-01-01

    Given the recent era of economic upheaval, studying the effects of job displacement has seldom been so timely and consequential. Despite a large literature associating displacement with worker well-being, relatively few studies focus on the effects of parental displacement on child well-being, and fewer still focus on implications for children of single parent households. Moreover, notwithstanding a large literature on the relationship between single motherhood and children’s outcomes, research on intergenerational effects of involuntary employment separations among single mothers is limited. Using 30 years of nationally representative panel data and propensity score matching methods, we find significant negative effects of job displacement among single mothers on children’s educational attainment and social-psychological well-being in young adulthood. Effects are concentrated among older children and children whose mothers had a low likelihood of displacement, suggesting an important role for social stigma and relative deprivation in the effects of socioeconomic shocks on child well-being. PMID:25032267

  18. Nanoscale friction as a function of activation energies

    Science.gov (United States)

    Chong, W. W. F.; Rahnejat, H.

    2015-12-01

    Understanding the scale-dependence of friction is increasingly viewed as a critical quest. With progressively thinner films, mixed and boundary regimes of lubrication have become commonplace. Therefore, at the micro-scale a greater need for mitigating friction is desired in order to improve operational efficiency of many machines and mechanisms. Furthermore, there is a growing tendency to use low friction hard wear-resistant advanced coatings to guard against wear. In parallel, there has been much attention paid to lubricant rheology and formulation. However, only in recent times there has been an emerging view of lubricant-surface combination as a system. In this perspective it is essential to relate the observed and measured friction at component level to the underlying interactions in micro/nano-scales. This is the approach in this paper. Observed phenomenon at micro-scale are related back to the activation energies of lubricant-surface system, providing in particular results for surface modified Ni-SiC coated specimen in combination with formulated lubricants, the combination of which represent the lubricant-surface system of choice in cylinders of high performance race engine. The nano-scale conjunction of an AFM tip with lubricated surface-engineered specimen, subjected to various conjunctional loading and sliding kinematics is investigated. It is shown that the measured frictional characteristics can be adequately described in terms of activation energies in line with the Eyring’s thermal activation model for cases of fairly smooth asperity tip contact conjunctions.

  19. Probing quantum correlation functions through energy-absorption interferometry

    Science.gov (United States)

    Withington, S.; Thomas, C. N.; Goldie, D. J.

    2017-08-01

    An interferometric technique is described for determining the spatial forms of the individual degrees of freedom through which a many-body system can absorb energy from its environment. The method separates out the spatial forms of the coherent excitations present at any single frequency; it is not necessary to sweep the frequency and then infer the spatial forms of possible excitations from resonant absorption features. The system under test is excited with two external sources, which create generalized forces, and the fringe in the total power dissipated is measured as the relative phase between the sources is varied. If the complex fringe visibility is measured for different pairs of source locations, the anti-Hermitian part of the complex-valued nonlocal correlation tensor can be determined, which can then be decomposed to give the natural dynamical modes of the system and their relative responsivities. If each source in the interferometer creates a different kind of force, the spatial forms of the individual excitations that are responsible for cross-correlated response can be found. The technique is related to holography, but measures the state of coherence to which the system is maximally sensitive. It can be applied across a wide range of wavelengths, in a variety of ways, to homogeneous media, thin films, patterned structures, and components such as sensors, detectors, and energy-harvesting absorbers.

  20. Function and impact of weather files on energy demand simulations

    Directory of Open Access Journals (Sweden)

    Alex González Cáceres

    2013-12-01

    Full Text Available Actualmente se han desarrollado distintos tipos de archivos climáticos para su uso en simulaciones energéticas, cuyo origen depende principalmente de las estaciones meteorológicas, variables ambientales, algoritmos de interpolación y periodos considerados. En atención a esta diversidad cabe preguntarse cuáles son los más apropiados para su utilización en estudios de esta naturaleza para viviendas en Chile, y en particular, para la ciudad de Concepción. Se presenta un análisis comparativo, desarrollado en el contexto del proyecto Fondef D10I10251 , entre tres fuentes de archivos climáticos para Concepción, el primero obtenido a través de la página web de EERE, (U.S. DOE Energy Efficiency and Renewable Energy, el segundo desarrollado por Meteonorm y el último generado a través de los datos proporcionados por un centro de observación geodésica ubicado en Concepción (TIGO. Se puede observar que el origen y método de obtención de datos para la ciudad de Concepción en Chile puede generar diferencias en la demanda de un 24,8%, que en este caso corresponde a 41,34 kWh/m2.

  1. 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.

  2. 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)

  3. 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.

  4. Visualization of Potential Energy Function Using an Isoenergy Approach and 3D Prototyping

    Science.gov (United States)

    Teplukhin, Alexander; Babikov, Dmitri

    2015-01-01

    In our three-dimensional world, one can plot, see, and comprehend a function of two variables at most, V(x,y). One cannot plot a function of three or more variables. For this reason, visualization of the potential energy function in its full dimensionality is impossible even for the smallest polyatomic molecules, such as triatomics. This creates…

  5. Free-energy functionals of the electrostatic potential for Poisson-Boltzmann theory.

    Science.gov (United States)

    Jadhao, Vikram; Solis, Francisco J; de la Cruz, Monica Olvera

    2013-08-01

    In simulating charged systems, it is often useful to treat some ionic components of the system at the mean-field level and solve the Poisson-Boltzmann (PB) equation to get their respective density profiles. The numerically intensive task of solving the PB equation at each step of the simulation can be bypassed using variational methods that treat the electrostatic potential as a dynamic variable. But such approaches require the access to a true free-energy functional: a functional that not only provides the correct solution of the PB equation upon extremization, but also evaluates to the true free energy of the system at its minimum. Moreover, the numerical efficiency of such procedures is further enhanced if the free-energy functional is local and is expressed in terms of the electrostatic potential. Existing PB functionals of the electrostatic potential, while possessing the local structure, are not free-energy functionals. We present a variational formulation with a local free-energy functional of the potential. In addition, we also construct a nonlocal free-energy functional of the electrostatic potential. These functionals are suited for employment in simulation schemes based on the ideas of dynamical optimization.

  6. Assessment of range-separated functionals in the presence of implicit solvent: Computation of oxidation energy, reduction energy, and orbital energy

    Science.gov (United States)

    Boruah, Abhijit; Borpuzari, Manash Protim; Kawashima, Yukio; Hirao, Kimihiko; Kar, Rahul

    2017-04-01

    Recently, we have investigated the ionization potential (IP) theorem for some small molecules in the presence of external electric field [M. P. Borpuzari et al., J. Chem. Phys. 144, 164113 (2016)]. In this article, we assess the performance of some density functionals, local density approximation, generalized-gradient approximation (GGA), hybrid, meta-GGA hybrid, and range-separated functionals in the presence of two different solvent dielectrics, water and cyclohexane, in reproducing the vertical oxidation energy, reduction energy, and the frontier orbital energies. We also study the accessibility of different computational solvent models like the polarizable continuum model (PCM) and non-equilibrium PCM (NEPCM) in reproducing the desired properties. In general, the range-separated functionals do not perform well in reproducing orbital energies in the PCM. Range separation with the NEPCM is better. It is found that CAM-B3LYP, M06-2X, and ωB97XD functionals reproduce highest occupied molecular orbital energy in solvents, which may be due to the cancellation of PCM and density functional theory errors. Finally, we have tested the validity of the IP theorem in the solvent environment.

  7. Perceived Displacement explains Wolfpack Effect

    Directory of Open Access Journals (Sweden)

    Matúš eŠimkovic

    2014-12-01

    Full Text Available We investigate the influence of perceived displacement of moving agent-like stimuli on the performance in dynamic interactive tasks. In order to reliably measure perceived displacement we utilize multiple tasks with different task demands. The perceived center of an agent’s body is displaced in the direction in which the agent is facing and this perceived displacement is larger than the theoretical position of the center of mass would predict. Furthermore, the displacement in the explicit judgment is dissociated from the displacement obtained by the implicit measures. By manipulating the location of the pivot point, we show that it is not necessary to postulate orientation as an additional cue utilized by perception, as has been suggested by earlier studies. These studies showed that the agent’s orientation influences the detection of chasing motion and the detection-related performance in interactive tasks. This influence has been labeled wolfpack effect. In one of the demonstrations of the wolfpack effect participants control a green circle on a display with a computer mouse. It has been shown that participants avoid display areas withagents pointing towards the green circle. Participants do so in favor of areas where the agents point in the direction perpendicular to the circle. We show that this avoidance behavior arises because the agent’s pivot point selected by the earlier studies is different from where people locate the center of agent’s body. As a consequence, the nominal rotation confounds rotation and translation. We show that the avoidance behavior disappears once the pivot point is set to the center of agent’s body.

  8. General mechanism for helium blistering involving displaced atom transport

    Energy Technology Data Exchange (ETDEWEB)

    McDonell, W.R.

    1979-01-01

    A mechanism developed to account for formation of vertically elongated blisters in high displacement environments produced by /sup 252/Cf alpha particles and fission fragments has been extended to formation of done-shaped blisters in the low displacement environments produced by simple helium ion beams. In this mechanism, transport of displaced atoms to relieve compressive stresses in the helium-implanted layer allows interconnections of small, subsurface bubbles to form the blister cavity. The same transport may cause thickening of the blister caps at low implantation energies. The transition from dome-shaped to vertically elongated blistering occurs between the 300 and 3000 displacements per helium atom produced by simple helium ions and /sup 252/Cf radiations respectively.

  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. 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

  11. 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

    An alternative separation of short-range exchange and correlation energies is used in the framework of second-order range-separated density-functional perturbation theory. This alternative separation was initially proposed by Toulouse and relies on a long-range-interacting wave function instead...... 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...... on the potential energy curves in the equilibrium region, improving the accuracy of binding energies and equilibrium bond distances when second-order perturbation theory is appropriate....

  12. 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.

  13. 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.

  14. Behavior of Time-Resolved Ion Energy Distribution Functions during Ion-Ion Instability

    Science.gov (United States)

    Saitou, Yoshifumi; Nakamura, Yoshiharu; Tanaka, Masayoshi; Komori, Akio; Kawai, Yoshinobu

    1993-10-01

    When an external RF field is applied to an ion beam plasma system, ion-ion instability is suppressed at f/fii≳1, where f and fii are the frequency of the external RF field and the peak frequency of the instability, respectively. It is also observed that the time-averaged energy distribution function of the ion beam broadens when the instability is suppressed. In order to investigate the cause of this broadening, time-resolved energy distribution functions of ions are measured with a boxcar integrator. As a result, it is found that the energy distribution functions periodically change with the external RF field and the above broadening is apparently caused by the time-averaging of the energy distribution functions.

  15. Energy dependence with the number of particles: Density and reduced density matrices functionals

    Science.gov (United States)

    Miranda-Quintana, Ramón A.; Bochicchio, Roberto C.

    2014-02-01

    The energy of a physical domain within a molecular system considered as a quantum open system is analyzed as a functional of the electron distribution dependence with the number of particles. Our attention is focused upon the constrained-search functionals of the electron density, the 1- and 2-reduced density matrices (1-, 2-RDMs) for grand-canonical states. It is shown that functionals of the 2-RDM depend on the number of particles if the ground state energy is not a convex function of them.

  16. Special Programming for Displaced Homemakers.

    Science.gov (United States)

    Swift, John S.; And Others

    1986-01-01

    Displaced homemakers returning to college need special services. These programs were developed by one university's center for women: Project Succeed, Back to School Workshops, and Special Programs to Build Self-Confidence. These programs were developed to provide on-the-job training while in college, help adults returning to college earn a degree,…

  17. Retraining Displaced Workers. Policy Brief

    Science.gov (United States)

    LaLonde, Robert; Sullivan, Daniel

    2010-01-01

    Robert LaLonde of the University of Chicago and Daniel Sullivan of the Federal Reserve Bank of Chicago suggest that retraining through our nation's community colleges is a way to reduce the skills gaps of at least some of these displaced workers and increase their reemployment earnings. Although workers may still experience significant earnings…

  18. Lyapunov and free energy functionals of generalized Fokker-Planck equations

    Science.gov (United States)

    Frank, T. D.

    2001-11-01

    We present the derivation of Lyapunov and free energy functionals for generalized Fokker-Planck equations including those proposed by Desai and Zwanzig, Kuramoto, Kaniadakis and Quarati, and Plastino and Plastino. Thus, we demonstrate a common feature of processes described by generalized Fokker-Planck equations: the decrease of an appropriately defined free energy.

  19. 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.

  20. Potential energy function information from quantum phase shift using the variable phase method.

    Science.gov (United States)

    Lemes, Nelson H T; Braga, João P; Alves, Márcio O; Costa, Éderson D'M

    2014-07-01

    The present work discusses quantum phase shift sensitivity analysis with respect to the potential energy function. A set of differential equations for the functional derivative of the quantum phase shift with respect to the potential energy function was established and coupled with the variable phase equation. This set of differential equations provides a simple, exact and straightforward way to establish the sensitivity matrix. The present procedure is easier to use than the finite difference approach, in which several direct problems have to be addressed. Furthermore, integration of the established equations can be used to demonstrate how the sensitivity phase shift is accumulated as a function of the interatomic distance. The potential energy function was refined to produce a better quality function. The average error on the phase shift decreased from 9.8% in the original potential function to 0.13% in the recovered potential. The present procedure is an important initial step for further work towards recovering potential energy functions in upper dimensions or to recovering this function from cross sections.

  1. Some Considerations on Horizontal Displacement and Horizontal Displacement Coefficient B

    Directory of Open Access Journals (Sweden)

    Tajduś Krzysztof

    2015-12-01

    Full Text Available Mining-induced deformations of the ground surface and within the rock mass may pose danger not only for surface constructions but also for underground objects (e.g., tunnels, underground storages, garages, diverse types of pipelines, electric cables, etc. For a proper evaluation of hazard for surface and underground objects, such parameters as horizontal displacement and horizontal deformations, especially their maximum values, are of crucial importance. The paper is an attempt at a critical review of hitherto accomplished studies and state of the art of predicting horizontal displacement u, in particular the coefficient B, whose value allows determination of the value of maximum displacement if the value of maximum slope is known, or the value of maximum deformation if the value of maximum trough slope is recognized. Since the geodesic observations of fully developed subsidence troughs suggest that the value of the coefficient depends on the depth H, radius of main influences range r and properties of overburden rock, in particular the occurrence of sub-eras Paleogene and Neogene layers (old name: Quaternary and Tertiary with low strength parameters, therefore a formula is provided in the present paper allowing for the estimation of the influence of those factors on the value of coefficient B.

  2. Ring-Puckering Potential Energy Functions for Trimethylene Sulfide and Its Monovalent Cation.

    Science.gov (United States)

    Chun, Hye Jin; Ocola, Esther J; Laane, Jaan

    2017-04-13

    The spectra and ring-puckering potential energy function for trimethylene sulfide cation (TMS+) from vacuum ultraviolet mass-analyzed threshold ionization spectra have recently been reported. To provide an in-depth comparison of the potential function with that of trimethylene sulfide (TMS) itself, we have used ab initio MP2/cc-pVTZ calculations and DFT B3LYP/cc-pVTZ calculations to predict the structures of both TMS and TMS+ and then used these to calculate coordinate-dependent ring-puckering kinetic energy functions for both species. These kinetic energy functions allowed us to calculate refined potential energy functions of the puckering for both molecules based on the previously published spectra. TMS has an experimental barrier of 271 cm-1 and energy minima at ring-puckering angles of ±29°. For TMS+ the barrier is 60 cm-1 and the energy minima correspond to ring-puckering angles of ±21°. The lower barrier for the cation reflects the smaller amount of angle strain in the ring angles for TMS+.

  3. 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)

  4. 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.

  5. Application of displacement monitoring system on high temperature steam pipe

    Science.gov (United States)

    Ghaffar, M. H. A.; Husin, S.; Baek, J. E.

    2017-10-01

    High-energy piping systems of power plants such as Main Steam (MS) pipe or Hot Reheat (HR) pipe are operating at high temperature and high pressure at base and cyclic loads. In the event of transient condition, a pipe can be deflected dramatically and caused high stress in the pipe, yielding to failure of the piping system. Periodic monitoring and walk down can identify abnormalities but limitations exist in the standard walk down practice. This paper provides a study of pipe displacement monitoring on MS pipe of coal-fired power plant to continuously capture the pipe movement behaviour at different load using 3-Dimensional Displacement Measuring System (3DDMS). The displacement trending at Location 5 and 6 (north and south) demonstrated pipes displace less than 25% to that of design movement. It was determined from synchronisation analysis that Location 7 (north) and Location 8 (south) pipe actual movement difference has exceeded the design movement difference. Visual survey at specified locations with significant displacement trending reveals issues of hydraulic snubber and piping interferences. The study demonstrated that the displacement monitoring is able to capture pipe movement at all time and allows engineer to monitor pipe movement behaviour, aids in identifying issue early for remedy action.

  6. 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.

  7. Convex splitting method for the calculation of transition states of energy functional

    Science.gov (United States)

    Gu, Shuting; Zhou, Xiang

    2018-01-01

    Among numerical methods for partial differential equations arising from steepest descent dynamics of energy functionals (e.g., Allen-Cahn and Cahn-Hilliard equations), the convex splitting method is well-known to maintain unconditional energy stability for a large time step size. In this work, we show how to use the convex splitting idea to find transition states, i.e., index-1 saddle points of the same energy functionals. Based on the iterative minimization formulation (IMF) for saddle points [14], we introduce the convex splitting method to minimize the auxiliary functional at each cycle of the IMF. We present a general principle of constructing convex splitting forms for these auxiliary functionals and show how to avoid solving nonlinear equations. The new numerical scheme based on the convex splitting method allows for large time step sizes. The new methods are tested for the one dimensional Ginzburg-Landau energy functional in the search of the Allen-Cahn or Cahn-Hilliard types of transition states. We provide the numerical results of transition states for the two dimensional Landau-Brazovskii energy functional for diblock copolymers.

  8. 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...

  9. Calculation of gamma induced displacement cross-sections of iron considering positron contribution and using standard damage model

    CERN Document Server

    Fukuya, K

    2003-01-01

    The displacement cross-section of iron was calculated for gamma-ray irradiation with the energy range of 1 to 15 MeV, which corresponds to radiation fields in fission reactors. Three gamma-material interactions, Compton scattering, pair production and photoelectric effect were considered. The displacements induced by both electrons and positrons were included. For damage function the modified Kinchin-Pease model with the displacement energy of 40 eV was applied, which are used as the standard damage model in neutron-induced displacement calculations. The standard damage model gave a lower cross-section by a factor of 1.3 compared to Kinchin-Pease model, and the exact treatment of positron contribution gave a lower cross-section by a factor 1.1 compared to an approximation treating positrons as electrons. The present cross-section was lower by a factor of 1.1-2.0 than the cross-sections previously proposed in the literatures. (author)

  10. 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.

  11. Freezing vibrational energy flow: a fitness function for interchangeable computational and experimental control.

    Science.gov (United States)

    Weidinger, D; Engel, M F; Gruebele, M

    2009-04-23

    We develop a fitness functional for freezing molecular energy flow that relies only on experimental observables. The functional allows us to implement a modular control algorithm where simulation data and experimental data can be used interchangeably. This interchangeability could be useful as a spectroscopic tool and for reactive control because the controllability of the experimental system and its model can be compared directly. The fitness functional performs as well as functionals based on complete knowledge of the wave function. We compare our simulation results with an analytical theory of control, and find good agreement between the simulated and predicted times over which the system can be controlled.

  12. Integrated control and health monitoring capacitive displacement sensor development task. Orbit transfer rocket engine technology program

    Science.gov (United States)

    Collamore, Frank N.

    1989-01-01

    The development of a miniature multifunction turbomachinery shaft displacement sensor using state-of-the-art non-contract capacitive sensing technology is described. Axial displacement, radial displacement, and speed are sensed using a single probe within the envelope normally required for a single function. A survey of displacement sensing technology is summarized including inductive, capacitive, optical and ultrasonic techniques. The design and operation of an experimental triple function sensor is described. Test results are included showing calibration tests and simultaneous dynamic testing of multiple functions. Recommendations for design changes are made to improve low temperature performance, reliability, and for design of a flight type signal conditioning unit.

  13. New approaches for the calibration of exchange-energy densities in local hybrid functionals.

    Science.gov (United States)

    Maier, Toni M; Haasler, Matthias; Arbuznikov, Alexei V; Kaupp, Martin

    2016-08-21

    The ambiguity of exchange-energy densities is a fundamental challenge for the development of local hybrid functionals, or of other functionals based on a local mixing of exchange-energy densities. In this work, a systematic construction of semi-local calibration functions (CFs) for adjusting the exchange-energy densities in local hybrid functionals is provided, which directly links a given CF to an underlying semi-local exchange functional, as well as to the second-order gradient expansion of the exchange hole. Using successive steps of integration by parts allows the derivation of correction terms of increasing order, resulting in more and more complicated but also more flexible CFs. We derive explicit first- and second-order CFs (pig1 and pig2) based on B88 generalized-gradient approximation (GGA) exchange, and a first-order CF (tpig1) based on τ-dependent B98 meta-GGA exchange. We combine these CFs with different long-range damping functions and evaluate them for calibration of LDA, B88 GGA, and TPSS meta-GGA exchange-energy densities. Based on a minimization of unphysical nondynamical correlation contributions in three noble-gas dimer potential-energy curves, free parameters in the CFs are optimized, and performance of various approaches in the calibration of different exchange-energy densities is compared. Most notably, the second-order pig2 CF provides the largest flexibility with respect to the diffuseness of the damping function. This suggests that higher-order CFs based on the present integration-by-parts scheme may be particularly suitable for the flexible construction of local hybrid functionals.

  14. Improved prediction of accessible surface area results in efficient energy function application.

    Science.gov (United States)

    Iqbal, Sumaiya; Mishra, Avdesh; Hoque, Md Tamjidul

    2015-09-07

    An accurate prediction of real value accessible surface area (ASA) from protein sequence alone has wide application in the field of bioinformatics and computational biology. ASA has been helpful in understanding the 3-dimensional structure and function of a protein, acting as high impact feature in secondary structure prediction, disorder prediction, binding region identification and fold recognition applications. To enhance and support broad applications of ASA, we have made an attempt to improve the prediction accuracy of absolute accessible surface area by developing a new predictor paradigm, namely REGAd(3)p, for real value prediction through classical Exact Regression with Regularization and polynomial kernel of degree 3 which was further optimized using Genetic Algorithm. ASA assisting effective energy function, motivated us to enhance the accuracy of predicted ASA for better energy function application. Our ASA prediction paradigm was trained and tested using a new benchmark dataset, proposed in this work, consisting of 1001 and 298 protein chains, respectively. We achieved maximum Pearson Correlation Coefficient (PCC) of 0.76 and 1.45% improved PCC when compared with existing top performing predictor, SPINE-X, in ASA prediction on independent test set. Furthermore, we modeled the error between actual and predicted ASA in terms of energy and combined this energy linearly with the energy function 3DIGARS which resulted in an effective energy function, namely 3DIGARS2.0, outperforming all the state-of-the-art energy functions. Based on Rosetta and Tasser decoy-sets 3DIGARS2.0 resulted 80.78%, 73.77%, 141.24%, 16.52%, and 32.32% improvement over DFIRE, RWplus, dDFIRE, GOAP and 3DIGARS respectively. Published by Elsevier Ltd.

  15. Detrimental effects of energy drink consumption on platelet and endothelial function.

    Science.gov (United States)

    Worthley, Matthew I; Prabhu, Anisha; De Sciscio, Paolo; Schultz, Carlee; Sanders, Prashanthan; Willoughby, Scott R

    2010-02-01

    Energy drink consumption has been anecdotally linked with sudden cardiac death and, more recently, myocardial infarction. As myocardial infarction is strongly associated with both platelet and endothelial dysfunction, we tested the hypothesis that energy drink consumption alters platelet and endothelial function. Fifty healthy volunteers (34 male, aged 22+/-2 years) participated in the study. Platelet aggregation and endothelial function were tested before, and 1 hour after, the consumption of 250 mL (1 can) of a sugar-free energy drink. Platelet function was assessed by adenosine diphosphate-induced (1 micromol/L) optical aggregometry in platelet-rich plasma. Endothelial function was assessed via changes in peripheral arterial tonometry and expressed as the reactive hyperemia index (RHI). Compared with baseline values, there was a significant increase in platelet aggregation following energy drink consumption, while no change was observed with control (13.7+/-3.7% vs 0.3+/-0.8% aggregation, respectively, P consumption (-0.33+/-0.13 vs 0.07+/-0.12 RHI [control], P consumption, compared with control (P consumption. Energy drink consumption acutely increases platelet aggregation and decreases endothelial function in healthy young adults. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  16. Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential

    Energy Technology Data Exchange (ETDEWEB)

    Carmona-Espíndola, Javier, E-mail: jcarmona-26@yahoo.com.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340, México (Mexico); Gázquez, José L., E-mail: jlgm@xanum.uam.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340, México (Mexico); Departamento de Química, Centro de Investigación y de Estudios Avanzados, Av. Instituto Politécnico Nacional 2508, México D. F. 07360, México (Mexico); Vela, Alberto [Departamento de Química, Centro de Investigación y de Estudios Avanzados, Av. Instituto Politécnico Nacional 2508, México D. F. 07360, México (Mexico); Trickey, S. B. [Quantum Theory Project, Department of Physics and Department of Chemistry, University of Florida, P.O. Box 118435, Gainesville, Florida 32611-8435 (United States)

    2015-02-07

    A new non-empirical exchange energy functional of the generalized gradient approximation (GGA) type, which gives an exchange potential with the correct asymptotic behavior, is developed and explored. In combination with the Perdew-Burke-Ernzerhof (PBE) correlation energy functional, the new CAP-PBE (CAP stands for correct asymptotic potential) exchange-correlation functional gives heats of formation, ionization potentials, electron affinities, proton affinities, binding energies of weakly interacting systems, barrier heights for hydrogen and non-hydrogen transfer reactions, bond distances, and harmonic frequencies on standard test sets that are fully competitive with those obtained from other GGA-type functionals that do not have the correct asymptotic exchange potential behavior. Distinct from them, the new functional provides important improvements in quantities dependent upon response functions, e.g., static and dynamic polarizabilities and hyperpolarizabilities. CAP combined with the Lee-Yang-Parr correlation functional gives roughly equivalent results. Consideration of the computed dynamical polarizabilities in the context of the broad spectrum of other properties considered tips the balance to the non-empirical CAP-PBE combination. Intriguingly, these improvements arise primarily from improvements in the highest occupied and lowest unoccupied molecular orbitals, and not from shifts in the associated eigenvalues. Those eigenvalues do not change dramatically with respect to eigenvalues from other GGA-type functionals that do not provide the correct asymptotic behavior of the potential. Unexpected behavior of the potential at intermediate distances from the nucleus explains this unexpected result and indicates a clear route for improvement.

  17. Displacement determinations of synergistic motion platform jacks

    Directory of Open Access Journals (Sweden)

    В. В. Кабанячий

    2003-03-01

    Full Text Available Urgency, statement and precise solution of displacement determinations problem of synergistic motion platform jacks depending on construction parameters and desired displacements along degrees of freedom are represented

  18. Artificial Neural Network for Displacement Vectors Determination

    Directory of Open Access Journals (Sweden)

    P. Bohmann

    1997-09-01

    Full Text Available An artificial neural network (NN for displacement vectors (DV determination is presented in this paper. DV are computed in areas which are essential for image analysis and computer vision, in areas where are edges, lines, corners etc. These special features are found by edges operators with the following filtration. The filtration is performed by a threshold function. The next step is DV computation by 2D Hamming artificial neural network. A method of DV computation is based on the full search block matching algorithms. The pre-processing (edges finding is the reason why the correlation function is very simple, the process of DV determination needs less computation and the structure of the NN is simpler.

  19. Hydrogen peroxide lowers ATP levels in platelets without altering adenyalte energy charge and platelet function.

    Science.gov (United States)

    Holmsen, H; Robkin, L

    1977-03-10

    H2O2 irreversibly reduced metabolic platelet ATP levels with a corresponding accumulation of hypoxanthine. This process was enhanced by sodium azide or potassium cyanide and by increasing H2O2 concentrations. The adenylate energy charge was unaltered when less than two thirds of the metabolic ATP had disappeared but decreased markedly when more ATP disappeared. Platelet shape change, primary aggregation, dense granule and alpha-granule secretion were unaffected by H2O2-induced lowering of ATP provided that the adenylate energy charge did not fall by more than 5%; at greater adenylate energy charge reduction, platelet functions were inhibited. These results indicate that cell functions depend more on adenyalte energy charge than on the ATP level and expands the applicability of this view from bacterial systems to a mammalian cell, the human platelet.

  20. An empirical function for the full energy peak efficiency for a P-type ...

    African Journals Online (AJOL)

    An empirical analytical function has been obtained for the full energy peak efficiency of a co-axial P-type High Purity Germanium Detector for gamma-ray energies in the range of 80 - 1333 keV and source-to-detector distance in the range of 1.0 - 4.0 cm. Comparison of the calculated efficiencies with the corresponding ...

  1. 40 CFR 205.153 - Engine displacement.

    Science.gov (United States)

    2010-07-01

    ... 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 displacement must be calculated using nominal engine values and rounded to the nearest whole cubic centimeter...

  2. Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach

    Science.gov (United States)

    Mo, Yirong; Gao, Jiali; Peyerimhoff, Sigrid D.

    2000-04-01

    An energy decomposition scheme based on the block-localized wave function (BLW) method is proposed. The key of this scheme is the definition and the full optimization of the diabatic state wave function, where the charge transfer among interacting molecules is deactivated. The present energy decomposition (ED), BLW-ED, method is similar to the Morokuma decomposition scheme in definition of the energy terms, but differs in implementation and the computational algorithm. In addition, in the BLW-ED approach, the basis set superposition error is fully taken into account. The application of this scheme to the water dimer and the lithium cation-water clusters reveals that there is minimal charge transfer effect in hydrogen-bonded complexes. At the HF/aug-cc-PVTZ level, the electrostatic, polarization, and charge-transfer effects contribute 65%, 24%, and 11%, respectively, to the total bonding energy (-3.84 kcal/mol) in the water dimer. On the other hand, charge transfer effects are shown to be significant in Lewis acid-base complexes such as H3NSO3 and H3NBH3. In this work, the effect of basis sets used on the energy decomposition analysis is addressed and the results manifest that the present energy decomposition scheme is stable with a modest size of basis functions.

  3. Research on energy-saving effect of technological progress based on Cobb-Douglas production function

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Chaoqing; Liu, Sifeng [Economics and Management College, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Wu, Junlong [College of Art, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2009-08-15

    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. (author)

  4. Research on energy-saving effect of technological progress based on Cobb-Douglas production function

    Energy Technology Data Exchange (ETDEWEB)

    Yuan Chaoqing [Economics and Management College, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)], E-mail: yuancahoqing@126.com; Liu Sifeng [Economics and Management College, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Wu Junlong [College of Art, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2009-08-15

    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.

  5. Making a happy match between orbital-free density functional theory and information energy density

    Science.gov (United States)

    Alipour, Mojtaba

    2015-08-01

    In the field of computational chemistry within density functional theory (DFT), the orbital-free DFT (OF-DFT) can be considered as a promising approach for simulating large systems. In OF-DFT, only a single relation, the Euler equation, has to be solved independently from the number of electrons. In this work, the Euler equation of OF-DFT is rewritten through a new partition scheme for energy density functional. Next, based on information theory, we reformulate the resulting equation in terms of Onicescu information energy density. Plus, the new forms of Euler equation based on Shannon entropy and Fisher information are presented.

  6. The Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

    CERN Document Server

    Yao, Kun

    2015-01-01

    We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from electron density. The output of the network is used as a non-local correction to the conventional local and semi-local kinetic functionals. We show that this approximation qualitatively reproduces Kohn-Sham potential energy surfaces when used with conventional exchange correlation functionals. Numerical noise inherited from the non-linearity of the neural network is identified as the major challenge for the model. Finally we examine the features in the density learned by the neural network to anticipate the prospects of generalizing these models.

  7. The energy coupling function and the power generated by the solar wind-magnetosphere dynamo

    Science.gov (United States)

    Kan, J. R.; Lee, L. C.; Akasofu, S.-I.

    1980-01-01

    A solar wind parameter epsilon, known as the energy coupling function, has been shown to correlate with the power consumption in the magnetosphere. It is shown in the present paper that the parameter epsilon can be identified semi-quantitatively as the dynamo power delivered from the solar wind to an open magnetosphere. This identification not only provides a theoretical basis for the energy coupling function, but also constitutes an observational verification of the solar wind-magnetosphere dynamo along the magnetotail. Moreover, one can now conclude that a substorm results when the dynamo power exceeds 10 to the 18th erg/s.

  8. Full momentum- and energy-resolved spectral function of a 2D electronic system

    Science.gov (United States)

    Jang, Joonho; Yoo, Heun Mo; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.; Ashoori, Raymond C.

    2017-11-01

    The single-particle spectral function measures the density of electronic states in a material as a function of both momentum and energy, providing central insights into strongly correlated electron phenomena. Here we demonstrate a high-resolution method for measuring the full momentum- and energy-resolved electronic spectral function of a two-dimensional (2D) electronic system embedded in a semiconductor. The technique remains operational in the presence of large externally applied magnetic fields and functions even for electronic systems with zero electrical conductivity or with zero electron density. Using the technique on a prototypical 2D system, a GaAs quantum well, we uncover signatures of many-body effects involving electron-phonon interactions, plasmons, polarons, and a phonon analog of the vacuum Rabi splitting in atomic systems.

  9. 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}.

  10. Neutron-star matter within the energy-density functional theory and neutron-star structure

    Energy Technology Data Exchange (ETDEWEB)

    Fantina, A. F.; Chamel, N.; Goriely, S. [Institut d' Astronomie et d' Astrophysique, CP226, Université Libre de Bruxelles (ULB), 1050 Brussels (Belgium); Pearson, J. M. [Dépt. de Physique, Université de Montréal, Montréal (Québec), H3C 3J7 (Canada)

    2015-02-24

    In this lecture, we will present some nucleonic equations of state of neutron-star matter calculated within the nuclear energy-density functional theory using generalized Skyrme functionals developed by the Brussels-Montreal collaboration. These equations of state provide a consistent description of all regions of a neutron star. The global structure of neutron stars predicted by these equations of state will be discussed in connection with recent astrophysical observations.

  11. Measurement of the electron structure function F2e at LEP energies

    NARCIS (Netherlands)

    Abdallah, J.; et al., [Unknown; van Vulpen, I.

    2014-01-01

    The hadronic part of the electron structure function F2e has been measured for the first time, using e+e−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.

  12. 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...

  13. 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.

  14. From Theory to Econometrics to Energy Policy: Cautionary Tales for Policymaking Using Aggregate Production Functions

    Directory of Open Access Journals (Sweden)

    Matthew K. Heun

    2017-02-01

    Full Text Available Development of energy policy is often informed by economic considerations via aggregate production functions (APFs. We identify a theory-to-policy process involving APFs comprised of six steps: (1 selecting a theoretical energy-economy framework; (2 formulating modeling approaches; (3 econometrically fitting an APF to historical economic and energy data; (4 comparing and evaluating modeling approaches; (5 interpreting the economy; and (6 formulating energy and economic policy. We find that choices made in Steps 1–4 can lead to very different interpretations of the economy (Step 5 and policies (Step 6. To investigate these effects, we use empirical data (Portugal and UK and the Constant Elasticity of Substitution (CES APF to evaluate four modeling choices: (a rejecting (or not the cost-share principle; (b including (or not energy; (c quality-adjusting (or not factors of production; and (d CES nesting structure. Thereafter, we discuss two revealing examples for which different upstream modeling choices lead to very different policies. In the first example, the (kle nesting structure implies significant investment in energy, while other nesting structures suggest otherwise. In the second example, unadjusted factors of production suggest balanced investment in labor and energy, while quality-adjusting suggests significant investment in labor over energy. Divergent outcomes provide cautionary tales for policymakers: greater understanding of upstream modeling choices and their downstream implications is needed.

  15. Origins of ion energy distribution function (IEDF) in high power impulse magnetron sputtering (HIPIMS) plasma discharge

    Science.gov (United States)

    Hecimovic, A.; Burcalova, K.; Ehiasarian, A. P.

    2008-05-01

    The ion energy distribution function (IEDF) in high power impulse magnetron sputtering (HIPIMS) discharges was studied by plasma sampling energy-resolved mass spectroscopy. HIPIMS of chromium (Cr), titanium (Ti) and carbon (C) targets in argon (Ar) atmosphere was analysed. Singly and doubly charged ions of both the target and the gas were detected. Time-averaged IEDFs were measured for all detected ions at the substrate position at a distance of 150 mm from the target. The effects of target current and discharge pressure on the IEDF were investigated. Measurements were done at two pressures and for three peak discharge currents. The IEDF of both the target and the gas ions was found to comprise two Maxwellian distributions. Quantitative analysis of target IEDFs at a low pressure showed that the main peak had a lower average energy with an approximate value of EAV = 1 eV which is attributed to collisions with thermalized gas atoms and ions. The higher energy distribution has a tail extending up to 70 eV, which is assumed to originate from a Thompson distribution of sputtered metal atoms which, due to collisions, are thermalized and appear as a Maxwell distribution. The proportion of high energy IEDFs for metal ions increases monotonically as a function of Id. The effective ion temperature kBT, extracted from the main low energy peak, showed a weak dependence on peak current. The effective ion temperature extracted from the high energy tail showed a strong correlation with the change in Id. The IEDF at high pressure shows that a proportion of high energy IEDFs was very low and dominated by a low energy main peak. The gas IEDF at high pressure was completely thermalized. The metal-ion-to-gas-ion ratio was found to increase with Id and with the sputtering yield of the target material.

  16. Displacement of squeezed propagating microwave states

    Science.gov (United States)

    Fedorov, Kirill G.; Zhong, Ling; Pogorzalek, Stefan; Eder, Peter; Fischer, Michael; Goetz, Jan; Wulschner, Friedrich; Xie, Edwar; Menzel, Edwin; Deppe, Frank; Marx, Achim; Gross, Rudolf

    Displacement of propagating squeezed states is a fundamental operation for quantum communications. It can be applied to fundamental studies of macroscopic quantum coherence and has an important role in quantum teleportation protocols with propagating microwaves. We generate propagating squeezed states using a Josephson parametric amplifier and implement displacement using a cryogenic directional coupler. We study single- and two-mode displacement regimes. For the single-mode displacement we find that the squeezing level of the displaced squeezed state does not depend on the displacement amplitude. Also, we observe that quantum entanglement between two spatially separated channels stays constant across 4 orders of displacement power. We acknowledge support by the German Research Foundation through SFB 631 and FE 1564/1-1, the EU project PROMISCE, and Elite Network of Bavaria through the program ExQM.

  17. 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.

  18. 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.

  19. Cyanidin-3-glucoside increases whole body energy metabolism by upregulating brown adipose tissue mitochondrial function.

    Science.gov (United States)

    You, Yilin; Yuan, Xiaoxue; Liu, Xiaomeng; Liang, Chen; Meng, Minghui; Huang, Yuanyuan; Han, Xue; Guo, Jielong; Guo, Yu; Ren, Chenglong; Zhang, Qianwen; Sun, Xiangyu; Ma, Tingting; Liu, Guojie; Jin, Wanzhu; Huang, Weidong; Zhan, Jicheng

    2017-11-01

    Obesity develops when energy intake exceeds energy expenditure. Promoting brown adipose tissue (BAT) formation and function increases energy expenditure and may protect against obesity. Cyanidin-3-glucoside (C3G) is an anthocyanin compound that occurs naturally in many fruits and vegetables. In this study, we investigated the effect and mechanism of C3G on the prevention of obesity. Db/db mice received C3G dissolved in drinking water for 16 wk; drinking water served as the vehicle treatment. The total body weight, energy intake, metabolic rate, and physical activity were measured. The lipid droplets, gene expression and protein expression were evaluated by histochemical staining, real-time PCR, and western blots. We found that C3G increased energy expenditure, limited weight gain, maintained glucose homeostasis, reversed hepatic steatosis, improved cold tolerance, and enhanced BAT activity in obese db/db mice. C3G also induces brown-like adipocytes (beige) formation in subcutaneous white adipose tissue (sWAT) of db/db mice model. We also found that C3G potently regulates the transcription of uncoupling protein 1 (UCP1) both in BAT and sWAT through increasing mitochondrial number and function. Our results suggest that C3G plays a role in regulating systemic energy balance, which may have potential therapeutic implications for the prevention and control of obesity. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Energy Densities in the Strong-Interaction Limit of Density Functional Theory

    NARCIS (Netherlands)

    Mirtschink, A.; Seidl, M.; Gori Giorgi, P.

    2012-01-01

    We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small atoms and small model quantum dots (Hooke's atoms) are

  1. N-point free energy distribution function in one dimensional random directed polymers

    Directory of Open Access Journals (Sweden)

    V. Dotsenko

    2014-09-01

    Full Text Available Explicit expression for the N-point free energy distribution function in one dimensional directed polymers in a random potential is derived in terms of the Bethe ansatz replica technique. The obtained result is equivalent to the one derived earlier by Prolhac and Spohn [J. Stat. Mech., 2011, P03020].

  2. Nesfatin-1: a new energy-regulating peptide with pleiotropic functions. Implications at cardiovascular level.

    Science.gov (United States)

    Feijóo-Bandín, Sandra; Rodríguez-Penas, Diego; García-Rúa, Vanessa; Mosquera-Leal, Ana; González-Juanatey, José Ramón; Lago, Francisca

    2016-04-01

    Nesfatin-1 is a new energy-regulating peptide widely expressed at both central and peripheral tissues with pleiotropic effects. In the last years, the study of nesfatin-1 actions and its possible implication in the development of different diseases has created a great interest among the scientific community. In this review, we will summarize nesfatin-1 main functions, focusing on its cardiovascular implications.

  3. 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

  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

    and employs a fast and efficient gradient descent method to find the set of parameters of the energy function that best explain the experimental data. We first validate the method by using synthetic reference data, and subsequently apply the algorithms to data from nuclear magnetic resonance spin...

  5. 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.

  6. Fission properties of the Barcelona-Catania-Paris energy density functional

    Energy Technology Data Exchange (ETDEWEB)

    Robledo, L M [Dep. Fisica Teorica (Modulo 15), Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Baldo, M [Instituto Nazionale di Fisica Nucleare, Sezione di Catania, Via Santa Sofia 64, I-95123 Catania (Italy); Schuck, P [Institut de Physique Nucleaire, CNRS, UMR8608, F-91406 Orsay (France); Vinas, X, E-mail: luis.robledo@uam.es [Departament d' Estructura i Constituents de la Materia and Institut de Ciencies del Cosmos, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain)

    2011-09-16

    Fission properties of the Barcelona-Catania-Paris (BCP) energy density functional are explored by performing constrained mean field Hartree-Fock-Bogoliubov (HFB) calculations along the fission path. These calculations provide us with the quantities required to estimate the spontaneous fission half lives and fragment mass distribution. The results obtained are compared to experimental data and other calculations.

  7. Lyapunov and free energy functionals of generalized Fokker-Planck equations

    NARCIS (Netherlands)

    Frank, T.D.

    2001-01-01

    We present the derivation of Lyapunov and free energy functionals for generalized Fokker-Planck equations including those proposed by Desai and Zwanzig, Kuramoto, Kaniadakis and Quarati, and Plastino and Plastino. Thus, we demonstrate a common feature of processes described by generalized

  8. 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.

  9. Case Report: Transoral retrieval of a displaced mandibular tooth in ...

    African Journals Online (AJOL)

    Accidental displacement of the lower third molar is a fairly rare complication, but may cause tissue injury and considerable functional incapacitation when it occurs. We report this particular case to remind clinicians on the ways to manage this complication, highlighting the use of basic imaging and simple surgical techniques ...

  10. PSO Method for Fitting Analytic Potential Energy Functions. Application to I-(H2O).

    Science.gov (United States)

    Bhandari, H N; Ma, X; Paul, A K; Smith, P; Hase, W L

    2018-02-08

    In this work a particle swarm optimization (PSO) algorithm was used to fit an analytic potential energy function to I - (H 2 O) intermolecular potential energy curves calculated with DFT/B97-1 theory. The analytic function is a sum of two-body terms, each written as a generalized sum of Buckingham and Lennard-Jones terms with only six parameters. Two models were used to describe the two-body terms between I - and H 2 O: a three-site model H 2 O and a four-site model including a ghost atom. The fits are compared with those obtained with a genetic/nonlinear least-squares algorithm. The ghost atom model significantly improves the fitting accuracy for both algorithms. The PSO fits are significantly more accurate and much less time-consuming than those obtained with the genetic/nonlinear least-squares algorithm. Eight I - ---H 2 O potential energy curves, fit with the PSO algorithm for the three- and four-site models, have RMSE of 1.37 and 0.22 kcal/mol and compute times of ∼20 and ∼68 min, respectively. The PSO fit for the four-site model is quite adequate for determining densities of states and partition functions for I - (H 2 O) n clusters at high energies and temperatures, respectively. The PSO algorithm was also applied to the eight potential energy curves, with the four-site model, for a short time ∼8 min fitting. The RMSE was small, only 0.37 kcal/mol, showing the high efficiency of the PSO algorithm with retention of a good fitting accuracy. The PSO algorithm is a good choice for fitting analytic potential energy functions, and for the work presented here was able to find an adequate fit to an I - (H 2 O) analytic intermolecular potential with a small number of parameters.

  11. Structural and Functional Hierarchy in Photosynthetic Energy Conversion-from Molecules to Nanostructures.

    Science.gov (United States)

    Szabó, Tibor; Magyar, Melinda; Hajdu, Kata; Dorogi, Márta; Nyerki, Emil; Tóth, Tünde; Lingvay, Mónika; Garab, Győző; Hernádi, Klára; Nagy, László

    2015-12-01

    Basic principles of structural and functional requirements of photosynthetic energy conversion in hierarchically organized machineries are reviewed. Blueprints of photosynthesis, the energetic basis of virtually all life on Earth, can serve the basis for constructing artificial light energy-converting molecular devices. In photosynthetic organisms, the conversion of light energy into chemical energy takes places in highly organized fine-tunable systems with structural and functional hierarchy. The incident photons are absorbed by light-harvesting complexes, which funnel the excitation energy into reaction centre (RC) protein complexes containing redox-active chlorophyll molecules; the primary charge separations in the RCs are followed by vectorial transport of charges (electrons and protons) in the photosynthetic membrane. RCs possess properties that make their use in solar energy-converting and integrated optoelectronic systems feasible. Therefore, there is a large interest in many laboratories and in the industry toward their use in molecular devices. RCs have been bound to different carrier matrices, with their photophysical and photochemical activities largely retained in the nano-systems and with electronic connection to conducting surfaces. We show examples of RCs bound to carbon-based materials (functionalized and non-functionalized single- and multiwalled carbon nanotubes), transitional metal oxides (ITO) and conducting polymers and porous silicon and characterize their photochemical activities. Recently, we adapted several physical and chemical methods for binding RCs to different nanomaterials. It is generally found that the P(+)(QAQB)(-) charge pair, which is formed after single saturating light excitation is stabilized after the attachment of the RCs to the nanostructures, which is followed by slow reorganization of the protein structure. Measuring the electric conductivity in a direct contact mode or in electrochemical cell indicates that there is an

  12. Structural and Functional Hierarchy in Photosynthetic Energy Conversion—from Molecules to Nanostructures

    Science.gov (United States)

    Szabó, Tibor; Magyar, Melinda; Hajdu, Kata; Dorogi, Márta; Nyerki, Emil; Tóth, Tünde; Lingvay, Mónika; Garab, Győző; Hernádi, Klára; Nagy, László

    2015-12-01

    Basic principles of structural and functional requirements of photosynthetic energy conversion in hierarchically organized machineries are reviewed. Blueprints of photosynthesis, the energetic basis of virtually all life on Earth, can serve the basis for constructing artificial light energy-converting molecular devices. In photosynthetic organisms, the conversion of light energy into chemical energy takes places in highly organized fine-tunable systems with structural and functional hierarchy. The incident photons are absorbed by light-harvesting complexes, which funnel the excitation energy into reaction centre (RC) protein complexes containing redox-active chlorophyll molecules; the primary charge separations in the RCs are followed by vectorial transport of charges (electrons and protons) in the photosynthetic membrane. RCs possess properties that make their use in solar energy-converting and integrated optoelectronic systems feasible. Therefore, there is a large interest in many laboratories and in the industry toward their use in molecular devices. RCs have been bound to different carrier matrices, with their photophysical and photochemical activities largely retained in the nano-systems and with electronic connection to conducting surfaces. We show examples of RCs bound to carbon-based materials (functionalized and non-functionalized single- and multiwalled carbon nanotubes), transitional metal oxides (ITO) and conducting polymers and porous silicon and characterize their photochemical activities. Recently, we adapted several physical and chemical methods for binding RCs to different nanomaterials. It is generally found that the P+(QAQB)- charge pair, which is formed after single saturating light excitation is stabilized after the attachment of the RCs to the nanostructures, which is followed by slow reorganization of the protein structure. Measuring the electric conductivity in a direct contact mode or in electrochemical cell indicates that there is an

  13. Determination of He - He potential energy function by inversion of differential cross sections

    Energy Technology Data Exchange (ETDEWEB)

    Lambrakos, S.G.

    1983-01-01

    The He - He interaction at short range was studied via a detailed examination of Firsov's inversion theory and the various conditions to which it is subject. Experimental differential cross sections at 0.5 keV and 1.0 keV determined by Abrahams and Peterson were inverted to obtain He/sub 2/ ground state potential energies. It was found that the practical application of Firsov's theory is subject to three conditions. These conditions result from (1) difficulties associated with the absolute measurement of differential cross sections, (2) lack of experimental measurements of scattering at angles less than some minimum angle, and (3) inelastic scattering contributions to the cross section at large scattering angles. A practical procedure for inversion of experimental cross sections was investigated. This procedure explicitly treats the three conditions cited above. It was found that experimental differential cross sections must be corrected for the effect of finite scattering geometry. A procedure for effecting this correction was developed. A semi-theoretical He/sub 2/ potential energy function was determined by slightly adjusting the scale of distance for a potential energy function obtained by inversion such that at 0.529 A the potential energy is 25.0 eV. Electronic energies derived from this potential energy function are within 1.0 eV of ab initio He/sub 2/ electonic energies over the range 0.5 A to 1.0 A and are not in conflict with the variation theorem of quantum mechanics. This result supports the Born-Oppenheimer description of He - He scattering.

  14. 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.

  15. Energy trapping of thickness-shear vibration modes of elastic plates with functionally graded materials.

    Science.gov (United States)

    Wang, Ji; Yang, Jiashi; Li, Jiangyu

    2007-03-01

    Energy trapping has important applications in the design of thickness-shear resonators. Considerable efforts have been made for the effective utilization and improvement of energy trapping with variations of plate configurations, such as adding electrodes and contouring. As a new approach in seeking improved energy trapping feature, we analyze thickness-shear vibrations in an elastic plate with functionally graded material (FGM) of in-plane variation of mechanical properties, such as elastic constants and density. A simple and general equation governing the thickness-shear modes is derived from a variational analysis. A plate with piecewise constant material properties is analyzed as an example. It is shown that such a plate can support thickness-shear vibration modes with obvious energy trapping. Bechmann's number for the existence of only one trapped mode also can be determined accordingly.

  16. 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.

  17. Healthcare needs of displaced women: Osire refugee camp, Namibia.

    Science.gov (United States)

    Pinehas, Lusia N; van Wyk, Neltjie C; Leech, Ronell

    2016-03-01

    The aim of this study was to explore and describe the experiences of healthcare needs of displaced women in the Osire refugee camp in Namibia. Namibia is a country where displaced people from other African countries seek refuge as a result of their own country's political instability. All displaced people are hosted in the Osire camp, which is a highly protected area. There are more women than men in the camp and their health is often compromised. In this descriptive phenomenological study, the natural dimension of the experiences of the participants of their healthcare needs were explored through in-depth interviews and reflected upon through transcendental processes to formulate the phenomenological dimension thereof. The essence of displaced women's healthcare needs was "the need for the restoration of hope and human dignity". Their needs refer to measures to enhance their autonomy and freedom; skills training; certainty about their future; security with aid distribution; protection against stigmatization due to human immunodeficiency virus (HIV) infection; protection against abuse; and participation in reproductive health care. When displaced women are admitted in a camp they lose their freedom to make decisions about everyday functioning and future. They thus develop feelings of insecurity and vulnerability. The participants referred to several factors that were detrimental for their well-being. The essence of their needs was "the need for the restoration of hope and human dignity" that could only be achieved when their needs are addressed. As nurses are in close contact with displaced women in refugee camps they should negotiate opportunities for the women to discuss their concerns with the camp officials. Policies should make provision for the involvement of displaced people in all aspects that relate to their everyday and future living arrangements. © 2016 International Council of Nurses.

  18. 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

    2017-09-27

    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

  19. 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

  20. Carbon-Based Functional Materials Derived from Waste for Water Remediation and Energy Storage.

    Science.gov (United States)

    Ma, Qinglang; Yu, Yifu; Sindoro, Melinda; Fane, Anthony G; Wang, Rong; Zhang, Hua

    2017-04-01

    Carbon-based functional materials hold the key for solving global challenges in the areas of water scarcity and the energy crisis. Although carbon nanotubes (CNTs) and graphene have shown promising results in various fields of application, their high preparation cost and low production yield still dramatically hinder their wide practical applications. Therefore, there is an urgent call for preparing carbon-based functional materials from low-cost, abundant, and sustainable sources. Recent innovative strategies have been developed to convert various waste materials into valuable carbon-based functional materials. These waste-derived carbon-based functional materials have shown great potential in many applications, especially as sorbents for water remediation and electrodes for energy storage. Here, the research progress in the preparation of waste-derived carbon-based functional materials is summarized, along with their applications in water remediation and energy storage; challenges and future research directions in this emerging research field are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. 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

  2. Current Density and Plasma Displacement Near Perturbed Rational Surface

    Energy Technology Data Exchange (ETDEWEB)

    A.H. Boozer and N. Pomphrey

    2010-10-10

    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.

  3. Relationships between surface energy analysis and functional characteristics of dairy powders.

    Science.gov (United States)

    Kondor, Anett; Hogan, Sean A

    2017-12-15

    Surface energetics of demineralised whey (DMW), skimmed milk (SMP), phosphocasein (PCN) and infant milk formula (IMF) powders were determined by inverse gas chromatography (IGC). All four milk powders were amphoteric in nature with the dispersive (apolar) component of surface energy dominating the specific (polar) contribution. PCN and IMF had the highest and lowest extent of surface heterogeneity, respectively. PCN also demonstrated the poorest functional properties of the powders examined. In contrast, IMF had excellent flow and rehydration properties. Thermodynamic work of cohesion was highest in PCN and may have contributed to inadequate rehydration behaviour. Glass transition temperature of IMF powder, determined by IGC, suggested a surface dominated by lactose. Surface heterogeneity provided a better indicator of functional behaviour than total surface energy. IGC is a useful complementary technique for chemical and structural analysis of milk powders and allows improved insight into the contribution of surface and bulk factors to functionality. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Edge Functionalization of Graphene and Two-Dimensional Covalent Organic Polymers for Energy Conversion and Storage.

    Science.gov (United States)

    Xiang, Zhonghua; Dai, Quanbin; Chen, Jian-Feng; Dai, Liming

    2016-08-01

    Edge functionalization by selectively attaching chemical moieties at the edge of graphene sheets with minimal damage of the carbon basal plane can impart solubility, film-forming capability, and electrocatalytic activity, while largely retaining the physicochemical properties of the pristine graphene. The resultant edge-functionalized graphene materials (EFGs) are attractive for various potential applications. Here, a focused, concise review on the synthesis of EFGs is presented, along with their 2D covalent organic polymer (2D COP) analogues, as energy materials. The versatility of edge-functionalization is revealed for producing tailor-made graphene and COP materials for efficient energy conversion and storage. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Excitation functions of proton-proton elastic scattering at intermediate energies

    Science.gov (United States)

    Scobel, W.; Dohrmann, F.; Bisplinghoff, J.; Hinterberger, F.; Scobel, W.; Altmeier, M.; Bauer, F.; Bisplinghoff, J.; Bissel, T.; Bollmann, R.; Busch, M.; Büßer, K.; Cloth, P.; Danie, R.; Diehl, O.; Dohrmann, F.; Engelhardt, H. P.; Ernst, J.; Eversheim, P. D.; Felden, O.; Flammer, J.; Gasthuber, M.; Gebel, R.; Greiff, J.; Groß, A.; Groß-Hardt, R.; Hebbel, K.; Hinterberger, F.; Hüskes, T.; Jahn, R.; Koch, I.; Langkau, R.; Lindemann, T.; Lindlein, J.; Maier, R.; Maschuw, R.; Mayer-Kuckuk, T.; Pfuff, M.; Prasuhn, D.; Rohdjeß, H.; Rosendaal, D.; von Rossen, P.; Schirm, N.; Schulz-Rojahn, M.; Schwarz, V.; Scobel, W.; Steinbeck, S.; Sterzenbach, G.; Thomas, S.; Trelle, H. J.; Walker, M.; Weise, E.; Wellinghausen, A.; Woller, K.; Ziegler, R.; EDDA Collaboration at COSY; EDDA Collaboration

    1998-03-01

    Excitation functions of proton-proton elastic cross sections have been measured in narrow momentum steps Δp = 28 MeV/c in the kinetic energy range from 0.5 to 2.5 GeV and the angular range 35° ≤ Θcm ≤ 90° with a detector providing ΔΘcm ≈ 1.4° resolution and 82% solid angle coverage. Measurements have been performed continuously during projectile acceleration in the Cooler Synchrotron COSY with an internal CH 2 fiber target; background corrections were derived from measurements with a carbon fiber target and from Monte Carlo simulations of inelastic pp contributions. Particular care was taken to monitor the luminosity as a function of beam energy. The results provide excitation functions and angular distributions of unprecedented precision and internal consistency. The measured cross sections are compared to recent phase shift analyses, and their impact on the present solution SM97 [1] is discussed.

  6. Potential applications of low-energy shock waves in functional urology.

    Science.gov (United States)

    Wang, Hung-Jen; Cheng, Jai-Hong; Chuang, Yao-Chi

    2017-08-01

    A shock wave, which carries energy and can propagate through a medium, is a type of continuous transmitted sonic wave with a frequency of 16 Hz-20 MHz. It is accompanied by processes involving rapid energy transformations. The energy associated with shock waves has been harnessed and used for various applications in medical science. High-energy extracorporeal shock wave therapy is the most successful application of shock waves, and has been used to disintegrate urolithiasis for 30 years. At lower energy levels, however, shock waves have enhanced expression of vascular endothelial growth factor, endothelial nitric oxide synthase, proliferating cell nuclear antigen, chemoattractant factors and recruitment of progenitor cells; shock waves have also improved tissue regeneration. Low-energy shock wave therapy has been used clinically with musculoskeletal disorders, ischemic cardiovascular disorders and erectile dysfunction, through the mechanisms of neovascularization, anti-inflammation and tissue regeneration. Furthermore, low-energy shock waves have been proposed to temporarily increase tissue permeability and facilitate intravesical drug delivery. The present review article provides information on the basics of shock wave physics, mechanisms of action on the biological system and potential applications in functional urology. © 2017 The Japanese Urological Association.

  7. 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

  8. Measurement of the electron structure function F2e at LEP energies

    Science.gov (United States)

    Abdallah, J.; Abreu, P.; Adam, W.; Adzic, P.; Albrecht, T.; Alemany-Fernandez, R.; Allmendinger, T.; Allport, P. P.; Amaldi, U.; Amapane, N.; Amato, S.; Anashkin, E.; Andreazza, A.; Andringa, S.; Anjos, N.; Antilogus, P.; Apel, W.-D.; Arnoud, Y.; Ask, S.; Asman, B.; Augustin, J. E.; Augustinus, A.; Baillon, P.; Ballestrero, A.; Bambade, P.; Barbier, R.; Bardin, D.; Barker, G. J.; Baroncelli, A.; Battaglia, M.; Baubillier, M.; Becks, K.-H.; Begalli, M.; Behrmann, A.; Belous, K.; Ben-Haim, E.; Benekos, N.; Benvenuti, A.; Berat, C.; Berggren, M.; Bertrand, D.; Besancon, M.; Besson, N.; Bloch, D.; Blom, M.; Bluj, M.; Bonesini, M.; Boonekamp, M.; Booth, P. S. L.; Borisov, G.; Botner, O.; Bouquet, B.; Bowcock, T. J. V.; Boyko, I.; Bracko, M.; Brenner, R.; Brodet, E.; Bruckman, P.; Brunet, J. M.; Buschbeck, B.; Buschmann, P.; Calvi, M.; Camporesi, T.; Canale, V.; Carena, F.; Castro, N.; Cavallo, F.; Chapkin, M.; Charpentier, Ph.; Checchia, P.; Chierici, R.; Chliapnikov, P.; Chudoba, J.; Chung, S. U.; Cieslik, K.; Collins, P.; Contri, R.; Cosme, G.; Cossutti, F.; Costa, M. J.; Crennell, D.; Cuevas, J.; D'Hondt, J.; da Silva, T.; Da Silva, W.; Della Ricca, G.; De Angelis, A.; De Boer, W.; De Clercq, C.; De Lotto, B.; De Maria, N.; De Min, A.; de Paula, L.; Di Ciaccio, L.; Di Simone, A.; Doroba, K.; Drees, J.; Eigen, G.; Ekelof, T.; Ellert, M.; Elsing, M.; Espirito Santo, M. C.; Fanourakis, G.; Fassouliotis, D.; Feindt, M.; Fernandez, J.; Ferrer, A.; Ferro, F.; Flagmeyer, U.; Foeth, H.; Fokitis, E.; Fulda-Quenzer, F.; Fuster, J.; Gandelman, M.; Garcia, C.; Gavillet, Ph.; Gazis, E.; Gokieli, R.; Golob, B.; Gomez-Ceballos, G.; Gonçalves, P.; Graziani, E.; Grosdidier, G.; Grzelak, K.; Guy, J.; Haag, C.; Hallgren, A.; Hamacher, K.; Hamilton, K.; Haug, S.; Hauler, F.; Hedberg, V.; Hennecke, M.; Hoffman, J.; Holmgren, S.-O.; Holt, P. J.; Houlden, M. A.; Jackson, J. N.; Jarlskog, G.; Jarry, P.; Jeans, D.; Johansson, E. K.; Jonsson, P.; Joram, C.; Jungermann, L.; Kapusta, F.; Katsanevas, S.; Katsoufis, E.; Kernel, G.; Kersevan, B. P.; Kerzel, U.; King, B. T.; Kjaer, N. J.; Kluit, P.; Kokkinias, P.; Kourkoumelis, C.; Kouznetsov, O.; Krumstein, Z.; Kucharczyk, M.; Lamsa, J.; Leder, G.; Ledroit, F.; Leinonen, L.; Leitner, R.; Lemonne, J.; Lepeltier, V.; Lesiak, T.; Liebig, W.; Liko, D.; Lipniacka, A.; Lopes, J. H.; Lopez, J. M.; Loukas, D.; Lutz, P.; Lyons, L.; MacNaughton, J.; Malek, A.; Maltezos, S.; Mandl, F.; Marco, J.; Marco, R.; Marechal, B.; Margoni, M.; Marin, J.-C.; Mariotti, C.; Markou, A.; Martinez-Rivero, C.; Masik, J.; Mastroyiannopoulos, N.; Matorras, F.; Matteuzzi, C.; Mazzucato, F.; Mazzucato, M.; Mc Nulty, R.; Meroni, C.; Migliore, E.; Mitaroff, W.; Mjoernmark, U.; Moa, T.; Moch, M.; Moenig, K.; Monge, R.; Montenegro, J.; Moraes, D.; Moreno, S.; Morettini, P.; Mueller, U.; Muenich, K.; Mulders, M.; Mundim, L.; Murray, W.; Muryn, B.; Myatt, G.; Myklebust, T.; Nassiakou, M.; Navarria, F.; Nawrocki, K.; Nemecek, S.; Nicolaidou, R.; Nikolenko, M.; Oblakowska-Mucha, A.; Obraztsov, V.; Olshevski, A.; Onofre, A.; Orava, R.; Osterberg, K.; Ouraou, A.; Oyanguren, A.; Paganoni, M.; Paiano, S.; Palacios, J. P.; Palka, H.; Papadopoulou, Th. D.; Pape, L.; Parkes, C.; Parodi, F.; Parzefall, U.; Passeri, A.; Passon, O.; Peralta, L.; Perepelitsa, V.; Perrotta, A.; Petrolini, A.; Piedra, J.; Pieri, L.; Pierre, F.; Pimenta, M.; Piotto, E.; Podobnik, T.; Poireau, V.; Pol, M. E.; Polok, G.; Pozdniakov, V.; Pukhaeva, N.; Pullia, A.; Radojicic, D.; Rebecchi, P.; Rehn, J.; Reid, D.; Reinhardt, R.; Renton, P.; Richard, F.; Ridky, J.; Rivero, M.; Rodriguez, D.; Romero, A.; Ronchese, P.; Roudeau, P.; Rovelli, T.; Ruhlmann-Kleider, V.; Ryabtchikov, D.; Sadovsky, A.; Salmi, L.; Salt, J.; Sander, C.; Savoy-Navarro, A.; Schwickerath, U.; Sekulin, R.; Siebel, M.; Sisakian, A.; Slominski, W.; Smadja, G.; Smirnova, O.; Sokolov, A.; Sopczak, A.; Sosnowski, R.; Spassov, T.; Stanitzki, M.; Stocchi, A.; Strauss, J.; Stugu, B.; Szczekowski, M.; Szeptycka, M.; Szumlak, T.; Szwed, J.; Tabarelli, T.; Tegenfeldt, F.; Timmermans, J.; Tkatchev, L.; Tobin, M.; Todorovova, S.; Tomé, B.; Tonazzo, A.; Tortosa, P.; Travnicek, P.; Treille, D.; Tristram, G.; Trochimczuk, M.; Troncon, C.; Turluer, M.-L.; Tyapkin, I. A.; Tyapkin, P.; Tzamarias, S.; Uvarov, V.; Valenti, G.; Van Dam, P.; Van Eldik, J.; van Remortel, N.; Van Vulpen, I.; Vegni, G.; Veloso, F.; Venus, W.; Verdier, P.; Verzi, V.; Vilanova, D.; Vitale, L.; Vrba, V.; Wahlen, H.; Washbrook, A. J.; Weiser, C.; Wicke, D.; Wickens, J.; Wilkinson, G.; Winter, M.; Witek, M.; Yushchenko, O.; Zalewska, A.; Zalewski, P.; Zavrtanik, D.; Zhuravlov, V.; Zimin, N. I.; Zintchenko, A.; Zupan, M.

    2014-10-01

    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.

  9. 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.

  10. Energy

    CERN Document Server

    Graybill, George

    2007-01-01

    Unlock the mysteries of energy! Energy is more than ""the ability to do work""; we present these concepts in a way that makes them more accessible to students and easier to understand. The best way to understand energy is to first look at all the different kinds of energy including: What Is Energy, Mechanical Energy, Thermal, Sound Energy and Waves, as well as Light Energy.

  11. Supervised Learning in Adaptive DNA Strand Displacement Networks.

    Science.gov (United States)

    Lakin, Matthew R; Stefanovic, Darko

    2016-08-19

    The development of engineered biochemical circuits that exhibit adaptive behavior is a key goal of synthetic biology and molecular computing. Such circuits could be used for long-term monitoring and control of biochemical systems, for instance, to prevent disease or to enable the development of artificial life. In this article, we present a framework for developing adaptive molecular circuits using buffered DNA strand displacement networks, which extend existing DNA strand displacement circuit architectures to enable straightforward storage and modification of behavioral parameters. As a proof of concept, we use this framework to design and simulate a DNA circuit for supervised learning of a class of linear functions by stochastic gradient descent. This work highlights the potential of buffered DNA strand displacement as a powerful circuit architecture for implementing adaptive molecular systems.

  12. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.

    Science.gov (United States)

    Cisneros, Gerardo Andrés; Wikfeldt, Kjartan Thor; Ojamäe, Lars; Lu, Jibao; Xu, Yao; Torabifard, Hedieh; Bartók, Albert P; Csányi, Gábor; Molinero, Valeria; Paesani, Francesco

    2016-07-13

    Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of analytical potential energy functions that aim at correctly representing many-body effects. Starting from the many-body expansion of the interaction energy, specific focus is on different classes of potential energy functions built upon a hierarchy of approximations and on their ability to accurately reproduce reference data obtained from state-of-the-art electronic structure calculations and experimental measurements. We show that most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many-body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought "universal model" capable of describing the behavior of water under different conditions and in different environments.

  13. Optimizing weights of protein energy function to improve ab initio protein structure prediction

    CERN Document Server

    Wang, Chao; Liu, Juntao; Zhang, Haicang; Ling, Bin; Li, Shuai Cheng; Zheng, Wei-Mou; Bu, Dongbo

    2013-01-01

    Predicting protein 3D structure from amino acid sequence remains as a challenge in the field of computational biology. If protein structure homologues are not found, one has to construct 3D structural conformations from the very beginning by the so-called ab initio approach, using some empirical energy functions. A successful algorithm in this category, Rosetta, creates an ensemble of decoy conformations by assembling selected best short fragments of known protein structures and then recognizes the native state as the highly populated one with a very low energy. Typically, an energy function is a combination of a variety of terms characterizing different structural features, say hydrophobic interactions, van der Waals force, hydrogen bonding, etc. It is critical for an energy function to be capable to distinguish native-like conformations from non-native ones and to drive most initial conformations assembled from fragments to a native-like one in a conformation search process. In this paper we propose a linea...

  14. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

    Science.gov (United States)

    2016-01-01

    Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of analytical potential energy functions that aim at correctly representing many-body effects. Starting from the many-body expansion of the interaction energy, specific focus is on different classes of potential energy functions built upon a hierarchy of approximations and on their ability to accurately reproduce reference data obtained from state-of-the-art electronic structure calculations and experimental measurements. We show that most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many-body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought “universal model” capable of describing the behavior of water under different conditions and in different environments. PMID:27186804

  15. Positrons vs electrons channeling in silicon crystal: energy levels, wave functions and quantum chaos manifestations

    Science.gov (United States)

    Shul'ga, N. F.; Syshchenko, V. V.; Tarnovsky, A. I.; Solovyev, I. I.; Isupov, A. Yu.

    2018-01-01

    The motion of fast electrons through the crystal during axial channeling could be regular and chaotic. The dynamical chaos in quantum systems manifests itself in both statistical properties of energy spectra and morphology of wave functions of the individual stationary states. In this report, we investigate the axial channeling of high and low energy electrons and positrons near [100] direction of a silicon crystal. This case is particularly interesting because of the fact that the chaotic motion domain occupies only a small part of the phase space for the channeling electrons whereas the motion of the channeling positrons is substantially chaotic for the almost all initial conditions. The energy levels of transverse motion, as well as the wave functions of the stationary states, have been computed numerically. The group theory methods had been used for classification of the computed eigenfunctions and identification of the non-degenerate and doubly degenerate energy levels. The channeling radiation spectrum for the low energy electrons has been also computed.

  16. sDFIRE: Sequence-specific statistical energy function for protein structure prediction by decoy selections.

    Science.gov (United States)

    Hoque, Md Tamjidul; Yang, Yuedong; Mishra, Avdesh; Zhou, Yaoqi

    2016-05-05

    An important unsolved problem in molecular and structural biology is the protein folding and structure prediction problem. One major bottleneck for solving this is the lack of an accurate energy to discriminate near-native conformations against other possible conformations. Here we have developed sDFIRE energy function, which is an optimized linear combination of DFIRE (the Distance-scaled Finite Ideal gas Reference state based Energy), the orientation dependent (polar-polar and polar-nonpolar) statistical potentials, and the matching scores between predicted and model structural properties including predicted main-chain torsion angles and solvent accessible surface area. The weights for these scoring terms are optimized by three widely used decoy sets consisting of a total of 134 proteins. Independent tests on CASP8 and CASP9 decoy sets indicate that sDFIRE outperforms other state-of-the-art energy functions in selecting near native structures and in the Pearson's correlation coefficient between the energy score and structural accuracy of the model (measured by TM-score). © 2016 Wiley Periodicals, Inc.

  17. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Energy Technology Data Exchange (ETDEWEB)

    Duignan, Timothy T. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Baer, Marcel D. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Schenter, Gregory K. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Mundy, Chistopher J. [Department of Chemical Engineering, University of Washington, Seattle, Washington 98185, USA

    2017-10-28

    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 coarse grained models of electrolyte solution. Here, we provide rigorous 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 (DFT-MD) and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the 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 (CHA) 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. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across

  18. An energy-efficient intrinsic functional organization of human working memory: A resting-state functional connectivity study.

    Science.gov (United States)

    Liu, Huaigui; Yu, Hongxu; Li, Yanjun; Qin, Wen; Xu, Lixue; Yu, Chunshui; Liang, Meng

    2017-01-01

    Working memory (WM) is the active maintenance of currently relevant information that was just experienced or retrieved from long-term memory but no longer exists in the external environment; however, the intrinsic functional organization of the brain underlying human WM performance remains largely unknown. We hypothesize that the intrinsic functional organization of human WM is an energy-efficient system. We tested this hypothesis by analyzing associations between WM performance (reaction times of correct responses) at different task difficulties (2-back and 3-back tasks) and the resting-state functional connectivity density (FCD) and strength (FCS) in 282 healthy young adults. Voxel-based FCD analysis showed that the reaction times were negatively correlated with the FCD values of several brain regions known to be engaged in WM performance: the right inferior parietal lobule and inferior frontal gyrus for both the 2-back and the 3-back tasks and the right superior parietal lobule, supramarginal gyrus, left inferior parietal lobule and bilateral middle occipital gyrus for the 3-back task. Further analyses showed that the FCS values of these regions with several frontal, parietal and occipital regions were also negatively correlated with the reaction times; the 3-back task was associated with much more functional connections than the 2-back task. These findings suggest that the intrinsic working memory network is an energy-efficient and hierarchical system. A simple working memory task is controlled only by the core subsystem; however, a complex working memory task is associated with more nodes and connections of the system. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Preventing re-displacement through genuine reintegration in Burundi

    Directory of Open Access Journals (Sweden)

    Lucy Hovil

    2012-12-01

    Full Text Available Displacement is often part of a cyclical process of conflict anddisplacement. Preventing displacement, therefore, is not only aboutpreventing new displacement but about ensuring that people do notget re-displaced.

  20. Modeling and simulation of ion energy distribution functions in technological plasmas

    CERN Document Server

    Mussenbrock, Thomas

    2011-01-01

    The highly advanced treatment of surfaces as etching and deposition is mainly enabled by the extraordinary properties of technological plasmas. The primary factors that influence these processes are the flux and the energy of various species, particularly ions, that impinge the substrate surface. These features can be theoretically described using the ion energy distribution function (IEDF). The article is intended to summarize the fundamental concepts of modeling and simulation of IEDFs from simplified models to self-consistent plasma simulations. Finally, concepts for controlling the IEDF are discussed.

  1. Correlation function of ultra-high energy cosmic rays favors point sources

    CERN Document Server

    Tinyakov, Peter G

    2001-01-01

    We calculate the angular two-point correlation function of ultra-high energy cosmic rays (UHECR) observed by AGASA and Yakutsk experiments. In both data sets, there is a strong signal at highest energies, which is concentrated in the first bin of the size of the angular resolution of the experiment. For the uniform distribution of sources, the probability of a chance clustering is 4 x 10^{-6}. Correlations are absent or not significant at larger angles. This favors the models with compact sources of UHECR.

  2. A Green's function method for high charge and energy ion transport

    Science.gov (United States)

    Chun, S. Y.; Khandelwal, G. S.; Wilson, J. W.

    1996-01-01

    A heavy-ion transport code using Green's function methods is developed. The low-order perturbation terms exhibiting the greatest energy variation are used as dominant energy-dependent terms, and the higher order collision terms are evaluated using nonperturbative methods. The recently revised NUCFRG database is used to evaluate the solution for comparison with experimental data for 625A MeV 20Ne and 517A MeV 40Ar ion beams. Improved agreements with the attenuation characteristics for neon ions are found, and reasonable agreement is obtained for the transport of argon ions in water.

  3. Determinants of Hip Displacement in Children With Cerebral Palsy.

    Science.gov (United States)

    Chang, Chia Hsieh; Wang, Ying Chih; Ho, Pei Chi; Hwang, Ai Wen; Kao, Hsuan Kai; Lee, Wei Chun; Yang, Wen E; Kuo, Ken N

    2015-11-01

    Coxa valga and femoral anteversion often are seen in patients with spastic hip displacement and osteotomy is recommended. However, the relationship between femoral deformities and hip displacement has not been clearly defined and other factors, such as joint motion and posture, should be considered before recommending treatment. For children with cerebral palsy with Gross Motor Function Classification System Level IV or V, we questioned (1) whether hip abduction range correlates with hip displacement, (2) what the relationships are between proximal femoral deformities and hip displacement, and (3) whether the patient with a windblown posture has greater degrees of femoral anteversion? We retrospectively studied 31 consecutive children with cerebral palsy with Level IV or V gross motor function who underwent three-dimensional CT for preoperative assessment of hip displacement between January 2010 and December 2013. Among the children, 23 had a windblown posture and eight had symmetric hip motion. Femoral anteversion and true neck-shaft angle were measured from the three-dimensional CT images. Migration percentage was the dependent variable we chose to study in relation to femoral anteversion, neck-shaft angle, maximal hip abduction, and hip flexion contracture, using correlations and multiple linear regressions. Using ANOVA and Scheffé's post hoc tests, we analyzed and compared the data of 23 abducted hips and 23 adducted hips in the 23 children with windblown posture and in 16 displaced hips in the eight children with symmetric hip abduction. Greater migration percentage was associated with less hip abduction range (r = -0.86; p < 0.001). Femoral anteversion had a weak correlation (r = 0.28; p < 0.05) to migration percentage, and the association became insignificant after considering hip abduction motion. Adducted windblown hips had greater femoral anteversion than the symmetric displaced hips and abducted windblown hips (46° vs 36° and 38°, respectively; p < 0

  4. 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.

  5. How accurate is Density Functional Theory in Predicting Reaction Energies Relevant to Phase Stability?

    Science.gov (United States)

    Hautier, Geoffroy; Ong, Shyue Ping; Jain, Anubhav; Moore, Charles J.; Ceder, Gerbrand

    2012-02-01

    Density Functional Theory (DFT) computations can be used to build computational phase diagrams that are used to understand the stability of known phases but also to assess the stability of novel, predicted compounds. The quality and predictive power of those phase diagrams rely on the accuracy of DFT in modeling reaction energies and we will present in this talk the results of a large scale comparison between experimentally measured and DFT computed reaction energies. For starters, we will show that only certain reaction energies are directly relevant to phase stability of multicomponent systems and that very often those reaction energies are not the commonly studied reactions from the elements. Using data from different experimental thermochemical tables and DFT high-throughput computing, we will present the results of a statistical study based on more than 130 reaction energies relevant to phase stability and from binary oxides to ternary oxides. We will show that the typical error are around 30 meV/at and therefore an order of magnitude lower than the errors in reaction energies from the elements. Finally, we will discuss the broad implications of our results on the evaluation of ab initio phase diagrams and on the computational prediction of new solid phases.

  6. Atomic displacement effects in near-edge resonant 'forbidden' reflections

    Energy Technology Data Exchange (ETDEWEB)

    Ovchinnikova, E.N. [Moscow State University, Physical Department, 119992 Moscow (Russian Federation)]. E-mail: ovtchinnikova@mtu-net.ru; Dmitrienko, V.E. [A.V. Shubnikov Institute of Crystallography, 119333 Moscow (Russian Federation)]. E-mail: dmitrien@ns.crys.ras.ru; Ishida, K. [Tokyo University of Science, Noda, Chiba 278-8510 (Japan); Kirfel, A. [Mineralogisch-Petrologisches Institut der Universitat Bonn, D-53115 Bonn (Germany); Collins, S.P. [Diamond Light Source, Rutherford Appleton Laboratory, Chilton, Didcot OX11 OQX, UK (United Kingdom); Oreshko, A.P. [A.V. Shubnikov Institute of Crystallography, 119333 Moscow (Russian Federation); Cabaret, D. [Laboratoire de Mineralogie-Cristallographie, case 115, 4 place Jussieu, 75252 Paris (France); Vedrinskii, R.V. [Rostov State University, 344090 Rostov-Don (Russian Federation); Kraizman, V.L. [Rostov State University, 344090 Rostov-Don (Russian Federation); Novakovich, A.A. [Rostov State University, 344090 Rostov-Don (Russian Federation); Krivitskii, E.V. [Rostov State University, 344090 Rostov-Don (Russian Federation); Tolochko, B.P. [Institute of Solid State Chemistry and Mechanochemistry, 630128 Novosibirsk (Russian Federation)

    2005-05-01

    A survey of atomic displacement effects in the resonant scattering of synchrotron radiation is presented. It is shown that the dynamical displacements, associated with thermal vibrations, provide the thermal-motion-induced (TMI) 'forbidden' reflections, while static displacements (e.g. induced by impurities) provide the point-defect-induced (PDI) 'forbidden' reflections. Both kinds of reflections occur owing to perturbation of valent electrons wave functions by atomic displacements. The results of numerical calculations of TMI forbidden reflections in Ge and ZnO are compared with experimental data.

  7. Comparison of Wind Energy Generation Using the Maximum Entropy Principle and the Weibull Distribution Function

    Directory of Open Access Journals (Sweden)

    Muhammad Shoaib

    2016-10-01

    Full Text Available Proper knowledge of the wind characteristics of a site is of fundamental importance in estimating wind energy output from a selected wind turbine. The present paper focuses on assessing the suitability and accuracy of the fitted distribution function to the measured wind speed data for Baburband site in Sindh Pakistan. Comparison is made between the wind power densities obtained using the fitted functions based on Maximum Entropy Principle (MEP and Weibull distribution. In case of MEP-based function a system of (N+1 non-linear equations containing (N+1 Lagrange multipliers is defined as probability density function. The maximum entropy probability density functions is calculated for 3–9 low order moments obtained from measured wind speed data. The annual actual wind power density (PA is found to be 309.25 W/m2 while the Weibull based wind power density (PW is 297.25 W/m2. The MEP-based density for orders 5, 7, 8 and 9 (PE is 309.21 W/m2, whereas for order 6 it is 309.43 W/m2. To validate the MEP-based function, the results are compared with the Weibull function and the measured data. Kolmogorov–Smirnov test is performed between the cdf of the measured wind data and the fitted distribution function (Q95 = 0.01457 > Q = 10−4. The test confirms the suitability of MEP-based function for modeling measured wind speed data and for the estimation of wind energy output from a wind turbine. R2 test is also performed giving analogous behavior of the fitted MEP-based pdf to the actual wind speed data (R2 ~ 0.9. The annual energy extracted using the chosen wind turbine based on Weibull function is PW = 2.54 GWh and that obtained using MEP-based function is PE = 2.57–2.67 GWh depending on the order of moments.

  8. 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.

  9. Articular disc displacement in mandibular asymmetry patients

    National Research Council Canada - National Science Library

    Boonsiva Buranastidporn; Hisano, Masataka; Soma, Kunimichi

    2004-01-01

    ...) inmandibular asymmetry have not been clearlydefined. This study examines the degree anddirection of disc displacement and their relationshipwith vertical asymmetry in terms of both clinicaland biomechanical aspects...

  10. Percutaneous Fixation of Displaced Calcaneal Fracture

    Directory of Open Access Journals (Sweden)

    Yeung Yip-Kan

    2011-06-01

    Conclusion: Percutaneous fixation of displaced tongue-type calcaneal fractures is an effective treatment with acceptable clinical outcome, short hospital stay, minimal skin complications, and quick recovery.

  11. Vertical Temperature Distribution in a Room with Displacement Ventilation

    DEFF Research Database (Denmark)

    Nielsen, Peter V.

    in comparison with mixing ventilation. It is necessary to have a design method for the temperature distribution used for instance in connection with the tlow element method and the energy calculations. The temperature distribution is also important in connection with thermal comfort in a room. It is necessary......A displacement ventilation system exploits the use of energy efficiently because it is possible to remove exhaust air from a room with a temperature that is several degrees above the temperature in the occupied zone. This process will allow a higher air inlet temperature at the same load...... to consider the temperature gradient in the occupied zone, as well as the asymmetric radiation from the ceiling, in connection with the design of a displacement ventilation system and the evaluation of thermal comfort. This paper will introduce five temperature distribution models with different levels...

  12. 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.

  13. Energy decomposition analysis of single bonds within Kohn-Sham density functional theory.

    Science.gov (United States)

    Levine, Daniel S; Head-Gordon, Martin

    2017-11-28

    An energy decomposition analysis (EDA) for single chemical bonds is presented within the framework of Kohn-Sham density functional theory based on spin projection equations that are exact within wave function theory. Chemical bond energies can then be understood in terms of stabilization caused by spin-coupling augmented by dispersion, polarization, and charge transfer in competition with destabilizing Pauli repulsions. The EDA reveals distinguishing features of chemical bonds ranging across nonpolar, polar, ionic, and charge-shift bonds. The effect of electron correlation is assessed by comparison with Hartree-Fock results. Substituent effects are illustrated by comparing the C-C bond in ethane against that in bis(diamantane), and dispersion stabilization in the latter is quantified. Finally, three metal-metal bonds in experimentally characterized compounds are examined: a [Formula: see text]-[Formula: see text] dimer, the [Formula: see text]-[Formula: see text] bond in dizincocene, and the Mn-Mn bond in dimanganese decacarbonyl.

  14. 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.

  15. Spin gaps and spin-flip energies in density-functional theory

    Science.gov (United States)

    Capelle, K.; Vignale, G.; Ullrich, C. A.

    2010-03-01

    Energy gaps are crucial aspects of the electronic structure of finite and extended systems. Whereas much is known about how to define and calculate charge gaps in density-functional theory (DFT), and about the relation between these gaps and derivative discontinuities of the exchange-correlation functional, much less is known about spin gaps. In this paper we give density-functional definitions of spin-conserving gaps, spin-flip gaps and the spin stiffness in terms of many-body energies and in terms of single-particle (Kohn-Sham) energies. Our definitions are as analogous as possible to those commonly made in the charge case, but important differences between spin and charge gaps emerge already on the single-particle level because unlike the fundamental charge gap spin gaps involve excited-state energies. Kohn-Sham and many-body spin gaps are predicted to differ, and the difference is related to derivative discontinuities that are similar to, but distinct from, those usually considered in the case of charge gaps. Both ensemble DFT and time-dependent DFT (TDDFT) can be used to calculate these spin discontinuities from a suitable functional. We illustrate our findings by evaluating our definitions for the Lithium atom, for which we calculate spin gaps and spin discontinuities by making use of near-exact Kohn-Sham eigenvalues and, independently, from the single-pole approximation to TDDFT. The many-body corrections to the Kohn-Sham spin gaps are found to be negative, i.e., single-particle calculations tend to overestimate spin gaps while they underestimate charge gaps.

  16. Validating a Coarse-Grained Potential Energy Function through Protein Loop Modelling.

    Directory of Open Access Journals (Sweden)

    James T Macdonald

    Full Text Available Coarse-grained (CG methods for sampling protein conformational space have the potential to increase computational efficiency by reducing the degrees of freedom. The gain in computational efficiency of CG methods often comes at the expense of non-protein like local conformational features. This could cause problems when transitioning to full atom models in a hierarchical framework. Here, a CG potential energy function was validated by applying it to the problem of loop prediction. A novel method to sample the conformational space of backbone atoms was benchmarked using a standard test set consisting of 351 distinct loops. This method used a sequence-independent CG potential energy function representing the protein using [Formula: see text]-carbon positions only and sampling conformations with a Monte Carlo simulated annealing based protocol. Backbone atoms were added using a method previously described and then gradient minimised in the Rosetta force field. Despite the CG potential energy function being sequence-independent, the method performed similarly to methods that explicitly use either fragments of known protein backbones with similar sequences or residue-specific [Formula: see text]/[Formula: see text]-maps to restrict the search space. The method was also able to predict with sub-Angstrom accuracy two out of seven loops from recently solved crystal structures of proteins with low sequence and structure similarity to previously deposited structures in the PDB. The ability to sample realistic loop conformations directly from a potential energy function enables the incorporation of additional geometric restraints and the use of more advanced sampling methods in a way that is not possible to do easily with fragment replacement methods and also enable multi-scale simulations for protein design and protein structure prediction. These restraints could be derived from experimental data or could be design restraints in the case of computational

  17. Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

    OpenAIRE

    Mo, Yirong; Bao, Peng; Gao, Jiali

    2011-01-01

    An interaction energy decomposition analysis method based on the block-localized wavefunction (BLW-ED) approach is described. The first main feature of the BLW-ED method is that it combines concepts of valence bond and molecular orbital theories such that the intermediate and physically intuitive electron-localized states are variationally optimized by self-consistent field calculations. Furthermore, the block-localization scheme can be used both in wave function theory and in density functio...

  18. Octupole deformation properties of the Barcelona-Catania-Paris energy density functionals

    OpenAIRE

    Robledo, L. M.; Baldo, M.; Schuck, P.; Viñas, X.

    2010-01-01

    We discuss the octupole deformation properties of the recently proposed Barcelona-Catania-Paris (BCP) energy density functionals for two sets of isotopes, those of radium and barium, where it is believed that octupole deformation plays a role in the description of the ground state. The analysis is carried out in the mean field framework (Hartree- Fock- Bogoliubov approximation) by using the axially symmetric octupole moment as a constraint. The main ingredients entering the octupole collectiv...

  19. Shape derivative of the energy functional for the bending of elastic plates with thin defects

    Science.gov (United States)

    Shcherbakov, V. V.

    2017-10-01

    The paper deals with an equilibrium problem for a homogeneous isotropic elastic plate with a thin rigid inclusion and interfacial crack. We provide an explicit formula for the first shape derivative of the energy functional in the direction of a given vector field by means of a volume integral. For specific examples of the vector field, we derive some representations of the formula in terms of path-independent contour integrals.

  20. Improving Density Functional Tight Binding Predictions of Free Energy Surfaces for Slow Chemical Reactions in Solution

    Science.gov (United States)

    Kroonblawd, Matthew; Goldman, Nir

    2017-06-01

    First principles molecular dynamics using highly accurate density functional theory (DFT) is a common tool for predicting chemistry, but the accessible time and space scales are often orders of magnitude beyond the resolution of experiments. Semi-empirical methods such as density functional tight binding (DFTB) offer up to a thousand-fold reduction in required CPU hours and can approach experimental scales. However, standard DFTB parameter sets lack good transferability and calibration for a particular system is usually necessary. Force matching the pairwise repulsive energy term in DFTB to short DFT trajectories can improve the former's accuracy for reactions that are fast relative to DFT simulation times (reactions and the free energy surface are not well-known. We present a force matching approach to improve the chemical accuracy of DFTB. Accelerated sampling techniques are combined with path collective variables to generate the reference DFT data set and validate fitted DFTB potentials. Accuracy of force-matched DFTB free energy surfaces is assessed for slow peptide-forming reactions by direct comparison to DFT for particular paths. Extensions to model prebiotic chemistry under shock conditions are discussed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  1. Dietary Energy Density, Renal Function, and Progression of Chronic Kidney Disease

    Science.gov (United States)

    Rouhani, Mohammad Hossein; Najafabadi, Mojgan Mortazavi; Esmaillzadeh, Ahmad; Feizi, Awat

    2016-01-01

    Background. There is evidence of the association between dietary energy density and chronic diseases. However, no report exists regarding the relation between DED and chronic kidney disease (CKD). Objective. To examine the association between dietary energy density (DED), renal function, and progression of chronic kidney disease (CKD). Design. Cross-sectional. Setting. Three nephrology clinics. Subjects. Two hundred twenty-one subjects with diagnosed CKD. Main Outcome Measure. Dietary intake of patients was assessed by a validated food frequency questionnaire. DED (in kcal/g) was calculated with the use of energy content and weight of solid foods and energy yielding beverages. Renal function was measured by blood urea nitrogen (BUN), serum creatinine (Cr), and estimated glomerular filtration rate (eGFR). Results. Patients in the first tertile of DED consumed more amounts of carbohydrate, dietary fiber, potassium, phosphorus, zinc, magnesium, calcium, folate, vitamin C, and vitamin B2. After adjusting for confounders, we could not find any significant trend for BUN and Cr across tertiles of DED. In multivariate model, an increased risk of being in the higher stage of CKD was found among those in the last tertile of DED (OR: 3.15; 95% CI: 1.30, 7.63; P = 0.01). Conclusion. We observed that lower DED was associated with better nutrient intake and lower risk of CKD progression. PMID:27819022

  2. Dietary Energy Density, Renal Function, and Progression of Chronic Kidney Disease

    Directory of Open Access Journals (Sweden)

    Mohammad Hossein Rouhani

    2016-01-01

    Full Text Available Background. There is evidence of the association between dietary energy density and chronic diseases. However, no report exists regarding the relation between DED and chronic kidney disease (CKD. Objective. To examine the association between dietary energy density (DED, renal function, and progression of chronic kidney disease (CKD. Design. Cross-sectional. Setting. Three nephrology clinics. Subjects. Two hundred twenty-one subjects with diagnosed CKD. Main Outcome Measure. Dietary intake of patients was assessed by a validated food frequency questionnaire. DED (in kcal/g was calculated with the use of energy content and weight of solid foods and energy yielding beverages. Renal function was measured by blood urea nitrogen (BUN, serum creatinine (Cr, and estimated glomerular filtration rate (eGFR. Results. Patients in the first tertile of DED consumed more amounts of carbohydrate, dietary fiber, potassium, phosphorus, zinc, magnesium, calcium, folate, vitamin C, and vitamin B2. After adjusting for confounders, we could not find any significant trend for BUN and Cr across tertiles of DED. In multivariate model, an increased risk of being in the higher stage of CKD was found among those in the last tertile of DED (OR: 3.15; 95% CI: 1.30, 7.63; P=0.01. Conclusion. We observed that lower DED was associated with better nutrient intake and lower risk of CKD progression.

  3. Based On Intrinsic Mode Function Energy Tracking Method of Circuit Breaker Vibration Signal Feature Extraction Studies

    Directory of Open Access Journals (Sweden)

    Sun Yi-Hang

    2017-01-01

    Full Text Available In order to detect a mechanical type of structural failure of the circuit breaker, the characteristics of the circuit breaker mechanical vibration signal is analyzed in this paper. A combination of medium voltage circuit breaker based on empirical mode decomposition (EMD amount of energy and support vector machine (SVM theory vibration signal feature vector extraction and analysis of fault classification method is proposed. First, the vibration signal of the circuit breaker is decomposed by EMD, then intrinsic mode function (IMF is obtain. The major fault feature information intrinsic mode functions the amount of energy of the component is obtained by discrete sampling points and the amount of energy. Using the amount of energy of IMF component as a feature vector, the failure of the test sample signal as input feature vector into trained “BT-SVM” support vector machine classification mechanism for fault classification. The differences and fault type of vibration signals can be identified by this method through the experimental analysis.

  4. Polybenzoxazole via aromatic nucleophilic displacement

    Science.gov (United States)

    Hergenrother, Paul M. (Inventor); Connell, John W. (Inventor); Smith, Joseph G., Jr. (Inventor)

    1993-01-01

    Polybenzoxazoles (PBO) are heterocyclic macromolecules which were first synthesized in a two-step process by the initial formation of aromatic diacid chlorides with bis(o-aminophenol)s through solution condensation of aromatic diacid chlorides with bis(o-aminophenol)s followed by thermal cyclodehydration. Since then several methods were utilized in their synthesis. The most common synthetic method for PBO involves a polycondensation of bis(o-aminophenol)s with aromatic diacid diphenyl esters. Another preparative route involves the solution polycondensation of the hydrochloride salts of bis(o-amino phenol)s with aromatic diacids in polyphosphoric acid. Another synthetic method involves the initial formation of poly(o-hydroxy amide)s from silylated bis(o-aminophenol)s with aromatic diacid chlorides followed by thermal cyclodehydration to PBO. A recent preparative route involves the reaction of aromatic bisphenols with bis(fluorophenyl) benzoxazoles by the displacement reaction to form PBO. The novelty of the present invention is that high molecular weight PBO of new chemical structures are prepared that exhibit a favorable combination of physical and mechanical properties.

  5. Smart Polyacrylonitrile (PAN) Nanofibers with Thermal Energy Storage and Retrieval Functionality

    Science.gov (United States)

    Cherry, De'Andre James

    Phase change materials (PCMs) are generally substances with a high heat of fusion in the process of solid to liquid phase change. The nature of PCMs make them efficient materials to store and retrieve large amounts of thermal energy. Presently, high efficiency thermal energy storage/retrieval in applications where flexibility and space saving are required, such as smart textiles, still remains as a challenge. In this study, lauric acid (LA) and myristic acid (MA) were combined to prepare a specific binary fatty acid eutectic (LA-MA) with a melting point near the operating body temperature of a human being and then encapsulated in polyacrylonitrile (PAN) nanofibers through the electrospinning technique. Functionalized PCM-enhanced PAN nanofibers containing LA-MA at 30%, 50%, 70% and 100% of the weight of the PAN were successfully synthesized. The morphological structures and thermal energy storage capacity of the PCM-enhanced PAN nanofibers were characterized by electron microscopy (EM) and differential scanning calorimetry (DSC). The novel PCM-enhanced PAN nanofibers maintained their cylindrical fiber morphology after multiple heating-cooling cycles and retained their latent heat storage functionality. Thus, it is envisioned that the prepared PCM-enhanced PAN nanofibers will find use in applications such as smart textiles where temperature regulation functionality is required.

  6. New statistical potential for quality assessment of protein models and a survey of energy functions

    Directory of Open Access Journals (Sweden)

    Rykunov Dmitry

    2010-03-01

    Full Text Available Abstract Background Scoring functions, such as molecular mechanic forcefields and statistical potentials are fundamentally important tools in protein structure modeling and quality assessment. Results The performances of a number of publicly available scoring functions are compared with a statistical rigor, with an emphasis on knowledge-based potentials. We explored the effect on accuracy of alternative choices for representing interaction center types and other features of scoring functions, such as using information on solvent accessibility, on torsion angles, accounting for secondary structure preferences and side chain orientation. Partially based on the observations made, we present a novel residue based statistical potential, which employs a shuffled reference state definition and takes into account the mutual orientation of residue side chains. Atom- and residue-level statistical potentials and Linux executables to calculate the energy of a given protein proposed in this work can be downloaded from http://www.fiserlab.org/potentials. Conclusions Among the most influential terms we observed a critical role of a proper reference state definition and the benefits of including information about the microenvironment of interaction centers. Molecular mechanical potentials were also tested and found to be over-sensitive to small local imperfections in a structure, requiring unfeasible long energy relaxation before energy scores started to correlate with model quality.

  7. The evolution of fabric with displacement in natural brittle faults

    Science.gov (United States)

    Mittempergher, S.; Di Toro, G.; Gratier, J.; Aretusini, S.; Boullier-Bertrand, A.

    2011-12-01

    In experiments performed at room temperature on gouges, a characteristic clast size distribution (CSD) is produced with increasing strain, and shear localization is documented to begin after few millimetres of sliding. But in natural faults active at depth in the crust, mechanical processes are associated with fluid-rock interactions, which might control the deformation and strength recovery. We aim to investigate the microstructural, geochemical and mineralogical evolution of low-displacement faults with increasing shear strain. The faults (cataclasite- and pseudotachylyte-bearing) are hosted in tonalite and were active at 9-11 km and 250-300°C. The samples were collected on a large glacier-polished outcrop, where major faults (accommodating up to 4300 mm of displacement) exploit pre-existing magmatic joints and are connected by a network of secondary fractures and faults (accommodating up to 500 mm of displacement) breaking intact tonalite. We performed optical and cathodoluminescence (CL) microscope, Scanning Electron Microscope (SEM), Energy Dispersive X-ray Spectroscopy (EDS), Rietveld X-Ray Powder Diffraction and microprobe chemical analysis in deformation zones of secondary faults with various offsets in order to evaluate the transfer of chemical species between dissolution zones and protected zones. Image analysis techniques were applied on SEM-BSE and optical microscope images to compute the CSD in samples, which experienced an increasing amount of strain. The secondary fractures are up to 5 mm thick. Within the first 20 mm of displacement, shear localizes along Y and R1 surfaces and a cataclastic foliation develops. The CSD evolves from a fractal dimension D of 1.3 in fractures without visible displacement to values above 2 after the first 500 mm of displacement. Chemical maps and CL images indicate that the foliation in cataclasite results from the rotation and fragmentation of clasts, with dissolution of quartz and passive concentration of Ti oxides

  8. On the form of the strain energy function for a family of SBR materials. [Styrene-Butadiene Rubber

    Science.gov (United States)

    Arenz, R. J.

    1977-01-01

    Styrene-butadiene materials with varying crosslink densities are analyzed through use of a strain energy function of the type introduced by Valanis and Landel (1967). A form of the strain energy function derived from strip biaxial tests proves to be accurate when checked against uniaxial and other biaxial test results.

  9. Seismic displacement of gravity retaining walls

    Directory of Open Access Journals (Sweden)

    Kamal Mohamed Hafez Ismail Ibrahim

    2015-08-01

    Full Text Available Seismic displacement of gravity walls had been studied using conventional static methods for controlled displacement design. In this study plain strain numerical analysis is performed using Plaxis dynamic program where prescribed displacement is applied at the bottom boundary of the soil to simulate the applied seismic load. Constrained absorbent side boundaries are introduced to prevent any wave reflection. The studied soil is chosen dense granular sand and modeled as elasto-plastic material according to Mohr–Column criteria while the gravity wall is assumed elastic. By comparing the resulted seismic wall displacements calculated by numerical analysis for six historical ground motions with that calculated by the pseudo-static method, it is found that numerical seismic displacements are either equal to or greater than corresponding pseudo-static values. Permissible seismic wall displacement calculated by AASHTO can be used for empirical estimation of seismic displacement. It is also found that seismic wall displacement is directly proportional with the positive angle of inclination of the back surface of the wall, soil flexibility and with the earthquake maximum ground acceleration. Seismic wall sliding is dominant and rotation is negligible for rigid walls when the ratio between the wall height and the foundation width is less than 1.4, while for greater ratios the wall becomes more flexible and rotation (rocking increases till the ratio reaches 1.8 where overturning is susceptible to take place. Cumulative seismic wall rotation increases with dynamic time and tends to be constant at the end of earthquake.

  10. 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 ...

  11. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 68; Issue 4. Atomic displacements in bcc ... 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.

  12. 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…

  13. 20 CFR 211.8 - Displacement allowance.

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 1 2010-04-01 2010-04-01 false Displacement allowance. 211.8 Section 211.8 Employees' Benefits RAILROAD RETIREMENT BOARD REGULATIONS UNDER THE RAILROAD RETIREMENT ACT CREDITABLE RAILROAD COMPENSATION § 211.8 Displacement allowance. An allowance paid to an employee because he has been...

  14. Avulsions and intrusions: the controversial displacement injuries.

    Science.gov (United States)

    Kenny, David J; Barrett, Edward J; Casas, Michael J

    2003-05-01

    Avulsions and intrusions are the most complicated and controversial displacement injuries of permanent teeth. Clinical guidelines published by authorities such as the American Association of Endodontists, the Royal College of Surgeons of England and the International Association of Dental Traumatology are inconsistent. While a certain amount of inconsistency might be expected, some of these guidelines recommend treatments that are experimental or have not incorporated research information from the past 5 years, and in one case the guidelines incorrectly describe the nature of Hank's balanced salt solution. Recent laboratory studies support previous clinical outcome studies in emphasizing that only for teeth replanted within 5 minutes of avulsion is there a chance of regeneration of the periodontal ligament and normal function. Teeth replanted beyond 5 minutes will take another path, that of repair followed by root resorption, ankylosis and eventual extraction. Dentists should explain these outcomes at the time of the replantation decision. Severe intrusions also have predictable outcomes. Teeth intruded beyond 6 mm cannot regenerate a functional periodontal ligament and so are prone to root resorption and eventual extraction as well. In this situation the decision is one of immediate extraction or repositioning, with the understanding that it is inevitable that the tooth will eventually be extracted. Authoritative clinical guidelines available on the Internet provide the clinician with useful outlines for treatment. However, individual inconsistencies stimulate academic controversies and, in some cases, clinical misdirection.

  15. Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study.

    Science.gov (United States)

    Rabanal-León, Walter A; Murillo-López, Juliana A; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro

    2015-09-24

    The high interest in lanthanide chemistry, and particularly in their luminescence, has been encouraged by the need of understanding the lanthanide chemical coordination and how the design of new luminescent materials can be affected by this. This work is focused on the understanding of the electronic structure, bonding nature, and optical properties of a set of lanthanide hexaaza macrocyclic complexes, which can lead to potential optical applications. Here we found that the DFT ground state of the open-shell complexes are mainly characterized by the manifold of low lying f states, having small HOMO-LUMO energy gaps. The results obtained from the wave function theory calculations (SO-RASSI) put on evidence the multiconfigurational character of their ground state and it is observed that the large spin-orbit coupling and the weak crystal field produce a strong mix of the ground and the excited states. The electron localization function (ELF) and the energy decomposition analysis (EDA) support the idea of a dative interaction between the macrocyclic ligand and the lanthanide center for all the studied systems; noting that, this interaction has a covalent character, where the d-orbital participation is evidenced from NBO analysis, leaving the f shell completely noninteracting in the chemical bonding. From the optical part we observed in all cases the characteristic intraligand (IL) (π-π*) and ligand to metal charge-transfer (LMCT) bands that are present in the ultraviolet and visible regions, and for the open-shell complexes we found the inherent f-f electronic transitions on the visible and near-infrared region.

  16. Rovibrational energies, partition functions and equilibrium fractionation of the CO2 isotopologues

    Science.gov (United States)

    Cerezo, J.; Bastida, A.; Requena, A.; Zúñiga, J.

    2014-11-01

    Rovibrational energy levels, partition functions and relative abundances of the stable isotopologues of CO2 in gas phase at equilibrium are calculated using an empirical Morse-cosine potential energy surface (PES) refined by fitting to the updated pure (l2 = 0) vibrational frequencies observed for the main 12C16O2 isotopologue. The rovibrational energy levels are calculated variationally using a system of optimized hyperspherical normal coordinates, and from these the vibrational terms Gv and rotational constants Bv of the isotopologues are determined. The refined potential surface is shown to be clearly superior to the original potential surface, with the former reproducing the observed values of the spectroscopic constants Gv and Bv with accuracies of about 0.1 cm-1 and 0.00020 cm-1, respectively, for levels with l2 ≥ 0 up to 10,000 cm-1 above the ground state. The internal partition functions of the isotopologues are calculated by approximated direct summation over the rovibrational energies and compared with both previous partition sums and values obtained from analytical expressions based on the harmonic oscillator and rigid rotor models. The partition functions calculated by approximated direct summation are then used to determine the abundances of the CO2 isotopologues at thermodynamic equilibrium using the method developed by Wang et al. [74]. Significant variations in the relative abundances of some of the CO2 multiple substituted isotopologues at terrestrial temperatures with respect to those provided by the classical harmonic-based Urey theory are found, which may be of relevance in geochemical processes.

  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 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. Beyond the local density approximation : improving density functional theory for high energy density physics applications.

    Energy Technology Data Exchange (ETDEWEB)

    Mattsson, Ann Elisabet; Modine, Normand Arthur; Desjarlais, Michael Paul; Muller, Richard Partain; Sears, Mark P.; Wright, Alan Francis

    2006-11-01

    A finite temperature version of 'exact-exchange' density functional theory (EXX) has been implemented in Sandia's Socorro code. The method uses the optimized effective potential (OEP) formalism and an efficient gradient-based iterative minimization of the energy. The derivation of the gradient is based on the density matrix, simplifying the extension to finite temperatures. A stand-alone all-electron exact-exchange capability has been developed for testing exact exchange and compatible correlation functionals on small systems. Calculations of eigenvalues for the helium atom, beryllium atom, and the hydrogen molecule are reported, showing excellent agreement with highly converged quantumMonte Carlo calculations. Several approaches to the generation of pseudopotentials for use in EXX calculations have been examined and are discussed. The difficult problem of finding a correlation functional compatible with EXX has been studied and some initial findings are reported.

  19. Transport-reaction model for defect and carrier behavior within displacement cascades in gallium arsenide

    Energy Technology Data Exchange (ETDEWEB)

    Wampler, William R.; Myers, Samuel Maxwell,

    2014-02-01

    A model is presented for recombination of charge carriers at 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 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. The initial radial defect profiles within the cluster were chosen through pair-correlation-function analysis of the spatial distribution of defects obtained from the binary-collision code MARLOWE, using recoil energies for fission neutrons. Charging of the defects can produce high electric fields within the cluster which may influence transport and reaction of carriers and defects, and which may enhance carrier recombination through band-to-trap tunneling. 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 pulsed neutron irradiation.

  20. Unified Green's function retrieval by cross-correlation; connection with energy principles.

    Science.gov (United States)

    Snieder, Roel; Wapenaar, Kees; Wegler, Ulrich

    2007-03-01

    It has been shown theoretically and observationally that the Green's function for acoustic and elastic waves can be retrieved by cross-correlating fluctuations recorded at two locations. We extend the concept of the extraction of the Green's function to a wide class of scalar linear systems. For systems that are not invariant under time reversal, the fluctuations must be excited by volume sources in order to satisfy the energy balance (equipartitioning) that is needed to extract the Green's function. The general theory for retrieving the Green's function is illustrated with examples that include the diffusion equation, Schrödinger's equation, a vibrating string, the acoustic wave equation, a vibrating beam, and the advection equation. Examples are also shown of situations where the Green's function cannot be extracted from ambient fluctuations. The general theory opens up new applications for the extraction of the Green's function from field correlations that include flow in porous media, quantum mechanics, and the extraction of the response of mechanical structures such as bridges.

  1. The effect of adiposity measured by dual-energy X-ray absorptiometry on lung function.

    Science.gov (United States)

    Sutherland, T J T; Goulding, A; Grant, A M; Cowan, J O; Williamson, A; Williams, S M; Skinner, M A; Taylor, D R

    2008-07-01

    Respiratory function is impaired in obesity but there are limitations with body mass index and skin-fold thickness in assessing this effect. The present authors hypothesised that the regional distribution of body fat and lean mass, as measured by dual-energy X-ray absorptiometry (DXA), might be more informative than conventional measurements of total body fat. In total, 107 subjects (55 female, 51.4%) aged 20-50 yrs with no respiratory disease were recruited. Respiratory function tests, anthropometric measurements and a DXA scan were performed. Partial correlation and linear regression analyses were used to explore the effect of adiposity and lean body mass on respiratory function. The majority of respiratory function parameters were significantly correlated with DXA and non-DXA measurements of body fat. Neither thoracic nor abdominal fat had a greater effect. There were some differences in the effect of adiposity between the sexes. Respiratory function was negatively associated with lean body mass in females but positively associated in males. This disappeared after adjustment in females but remained in males. The effects of thoracic and abdominal body fat on respiratory function are comparable but cannot be separated from one another.

  2. Ab initio and Molecular Dynamic models of displacement damage in crystalline and turbostratic graphite

    Science.gov (United States)

    McKenna, Alice

    One of the functions of graphite is as a moderator in several nuclear reactor designs, including the Advanced Gas-cooled Reactor (AGR). In the reactor graphite is used to thermalise the neutrons produced in the fission reaction thus allowing a self-sustained reaction to occur. The graphite blocks, acting as the moderator, are constantly irradiated and consequently suffer damage. This thesis examines the types of damage caused using molecular dynamic (MD) simulations and ab intio calculations. Neutron damage starts with a primary knock-on atom (PKA), which is travelling so fast that it creates damage through electronic and thermal excitation (this is addressed with thermal spike simulations). When the PKA has lost energy the subsequent cascade is based on ballistic atomic displacement. These two types of simulations were performed on single crystal graphite and other carbon structures such as diamond and amorphous carbon as a comparison. The thermal spike in single crystal graphite produced results which varied from no defects to a small number of permanent defects in the structure. It is only at the high energy range that more damage is seen but these energies are less likely to occur in the nuclear reactor. The thermal spike does not create damage but it is possible that it can heal damaged sections of the graphite, which can be demonstrated with the motion of the defects when a thermal spike is applied. The cascade simulations create more damage than the thermal spike even though less energy is applied to the system. A new damage function is found with a threshold region that varies with the square root of energy in excess of the energy threshold. This is further broken down in to contributions from primary and subsequent knock-on atoms. The threshold displacement energy (TDE) is found to be Ed=25eV at 300K. In both these types of simulation graphite acts very differently to the other carbon structures. There are two types of polycrystalline graphite structures

  3. Traumatic corneal flap displacement after laser in situ keratomileusis (LASIK

    Directory of Open Access Journals (Sweden)

    Tsai TH

    2017-04-01

    Full Text Available Tsung-Han Tsai,1 Kai-Ling Peng,1 Chien-Jen Lin2 1Department of Ophthalmology, 2Department of Radiology, Chi Mei Medical Center, Tainan, Taiwan Background: 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.Case presentation: 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.Literature review: 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.Conclusion: 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

  4. Modern money theory and ecological tax reform: A functional finance approach to energy conservation

    Science.gov (United States)

    McConnell, Scott L. B.

    This dissertation contributes to heterodox economics by developing a theoretical and policy-relevant link that will promote the conservation of energy while driving the value of the domestic currency. The analysis relies upon the theoretical foundation of modern money theory and functional finance, which states that "taxes-drive-money" where the value of a sovereign nation's currency is imputed through the acceptance by the sovereign nation of the currency in payment of taxation. This theoretical perspective lends itself to various public policy prescriptions, such as government employment policies or the employer of last resort (ELR), which has been discussed at length elsewhere (Wray 1998; Tcherneva 2007, Forstater 2003). This research contributes to this overall program by arguing that the basis for taxation under modern money theory allows public policy makers various alternatives regarding the make-up of the tax system in place. In particular, following functional finance, taxes do not have the sole purpose of paying for government spending, but rather drive the value of the currency and may be designed to perform other functions as well, such as penalizing socially undesirable behavior. The focus in this dissertation is on the amelioration of pollution and increasing energy conservation. The research question for this dissertation is this: what federally implemented tax would best serve the multiple criteria of 1) driving the value of the currency, 2) promoting energy conservation and 3) ameliorating income and wealth disparities inherent in a monetary production economy? This dissertation provides a suggestion for such a tax that would be part of a much larger overall policy program based upon the tenets of modern money theory and functional finance. Additionally, this research seeks to provide an important theoretical contribution to the emerging Post Keynesian and ecological economics dialog.

  5. Studies on Stirling engine with pendulum-type displacer; Furikoshiki displacer puresa wo yusuru stirling engine ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Isshiki, N. [Nihon University, Fukushima (Japan). College of Engineering; Igawa, Y. [Shiroki Corp., Yokohama (Japan); Isshiki, S.

    1995-12-25

    This paper describes in detail the experimental and theoretical results of a new type of Stirling engine with a pendulum-type displacer (PDSE) that is suspended by a hinge shaft and swings in a displacer space. The main features of PDSE are its simplicity, ease of outside gas sealing, and lower mechanical friction than that of the conventional-type Stirling engine. However, gas leakage inside the displacer is larger than that of the conventional type. The power required to induce a pendulum-type displacer motion, which consists of flow loss powers of multiple fin gas passage and regenerator wire mesh, is analyzed using a simple equation. It has been clarified that the calculated theoretical power output agreed well with the experimental power output. It has also been clarified that the measured Nusselt number of the regenerator agreed with that of a previous study. It is hoped that PDSE can be employed to utilize natural heat energy sources in the future. 8 refs., 10 figs., 2 tabs.

  6. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

  7. Functional energy nanocomposites surfaces based on mesoscopic microspheres, polymers and graphene flakes

    Science.gov (United States)

    Alekseev, S. A.; Dmitriev, A. S.; Dmitriev, A. A.; Makarov, P. G.; Mikhailova, I. A.

    2017-11-01

    In recent years, there has been a great interest in the development and creation of new functional energy materials, including for improving the energy efficiency of power equipment and for effectively removing heat from energy devices, microelectronics and optoelectronics (power micro electronics, supercapacitors, cooling of processors, servers and Data centers). In this paper, the technology of obtaining a new nanocomposite based on mesoscopic microspheres, polymers and graphene flakes is considered. The methods of sequential production of functional materials from graphite flakes of different volumetric concentration using polymers based on epoxy resins and polyimide, as well as the addition of a mesoscopic medium in the form of monodisperse microspheres are described. The data of optical and electron microscopy of such nanocomposites are presented, the main problems in the appearance of defects in such materials are described, the possibilities of their elimination by the selection of different concentrations and sizes of the components. Data are given on the measurement of the hysteresis of the contact angle and the evaporation of droplets on similar substrates. The results of studying the mechanical, electrophysical and thermal properties of such nanocomposites are presented. Particular attention is paid to the investigation of the thermal conductivity of these nanocomposites with respect to the creation of thermal interface materials for cooling devices of electronics, optoelectronics and power engineering.

  8. Distinct energy requirements for human memory CD4 T-cell homeostatic functions.

    Science.gov (United States)

    Taub, Dennis D; Hesdorffer, Charles S; Ferrucci, Luigi; Madara, Karen; Schwartz, Janice B; Goetzl, Edward J

    2013-01-01

    Differentiation and activation of CD4 memory T cells (T(mem) cells) require energy from different sources, but little is known about energy sources for maintenance and surveillance activities of unactivated T(mem) cells. Mitochondrial fatty acid oxidation (FAO) in human unactivated CD4 T(mem) cells was significantly enhanced by inhibition of glycolysis, with respective means of 1.7- and 4.5-fold for subjects 65 yr, and by stimulation of AMP-activated protein kinase, with respective means of 1.3- and 5.2-fold. However, CCL19 and sphingosine 1-phosphate (S1P), which control homeostatic lymphoid trafficking of unactivated T(mem) cells, altered FAO and glycolysis only minimally or not at all. Inhibition of CD4 T(mem)-cell basal FAO, but not basal glycolysis, significantly suppressed CCL19- and S1P-mediated adherence to collagen by >50 and 20%, respectively, and chemotaxis by >20 and 50%. Apoptosis of unactivated T(mem) cells induced by IL-2 deprivation or CCL19 was increased significantly by >150 and 70%, respectively, with inhibition of FAO and by >110 and 30% with inhibition of glycolysis. Anti-TCR antibody activation of T(mem) cells increased their chemotaxis to CCL5, which was dependent predominantly on glycolysis rather than FAO. The sources supplying energy for diverse functions of unactivated T(mem) cells differ from that required for function after immune activation.

  9. Ghrelin, a novel peptide hormone in the regulation of energy balance and cardiovascular function.

    Science.gov (United States)

    Ledderose, Carola; Kreth, Simone; Beiras-Fernandez, Andres

    2011-01-01

    Ghrelin, a peptide hormone predominantly produced by the stomach, is a potent stimulator of growth hormone release, food intake and weight gain. Besides its functions in regulating energy homeostasis, ghrelin has pronounced cardioprotective effects and was shown to improve cardiac performance in chronic heart failure (CHF). The multifunctional nature of ghrelin makes it an interesting pharmacological target for various diseases. Inhibition of ghrelin could be a promising approach in obesity-related disorders, while an enhancement of the ghrelin response is considered beneficial in several pathologic conditions marked by malnutrition, wasting and cachexia, including CHF, cancer, chronic pulmonary disease or chronic infections. In particular, patients suffering from CHF could possibly benefit from ghrelin based compounds that do not only help to reverse cardiac cachexia - by inducing a positive energy balance - but also enhance the direct cardioprotective effects of ghrelin. This review highlights the role of ghrelin in the regulation of energy balance and cardiovascular function and summarizes the most recent patents, developments and strategies in ghrelin-based pharmacotherapy for the treatment of pathologic conditions associated with obesity, cachexia or cardiovascular dysfunction.

  10. Microscopic description of fission in neutron-rich radium isotopes with the Gogny energy density functional

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Guzman, R. [Kuwait University, Physics Department, Kuwait (Kuwait); Robledo, L.M. [Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain)

    2016-01-15

    Mean-field calculations, based on the D1S, D1N and D1M parametrizations of the Gogny energy density functional, have been carried out to obtain the potential energy surfaces relevant to fission in several Ra isotopes with the neutron number 144 ≤ N ≤ 176. Inner and outer barrier heights as well as first and second isomer excitation energies are given. The existence of a well-developed third minimum along the fission paths of Ra nuclei is analyzed in terms of the energetics of the ''fragments'' defining such elongated configuration. The masses and charges of the fission fragments are studied as functions of the neutron number in the parent Ra isotope. The comparison between fission and α-decay half-lives, reveals that the former becomes faster for increasing neutron numbers. Though there exists a strong variance of the results with respect to the parameters used in the computation of the spontaneous fission rate, a change in tendency is observed at N = 164 with a steady increase that makes heavier neutron-rich Ra isotopes stable against fission, diminishing the importance of fission recycling in the r-process. (orig.)

  11. DART: A Functional-Level Reconfigurable Architecture for High Energy Efficiency

    Directory of Open Access Journals (Sweden)

    Sébastien Pillement

    2007-12-01

    Full Text Available 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 μm CMOS SoC implementing a specialized DART cluster is presented.

  12. Determining excitation-energy transfer times and mechanisms from stochastic time-dependent density functional theory.

    Science.gov (United States)

    Hofmann-Mees, D; Appel, H; Di Ventra, M; Kümmel, S

    2013-11-21

    We developed an approach for calculating excitation-energy transfer times in supermolecular arrangements based on stochastic time-dependent density functional theory (STDDFT). The combination of real-time propagation and the stochastic Schrödinger equation with a Kohn-Sham Hamiltonian allows for simulating how an excitation spreads through an assembly of molecular systems. The influence that approximations, such as the dipole-dipole coupling approximation of Förster theory, have on energy-transfer times can be checked explicitly. As a first application of our approach we investigate a light-harvesting-inspired model ring system, calculating the time it takes for an excitation to travel from one side of the ring to the opposite side under ideal and perturbed conditions. Among other things we find that completely removing a molecule from the ring may inhibit energy transfer less than having an energetically detuned molecule in the ring. In addition, Förster's dipole coupling approximation may noticeably overestimate excitation-energy transfer efficiency.

  13. DOE Energy Frontiers Research Center for Heterogeneous Functional Materials; the “HeteroFoaM Center”

    Energy Technology Data Exchange (ETDEWEB)

    Reifsnider, Kenneth Leonard [Univ. of South Carolina, Columbia, SC (United States)

    2016-11-03

    Synopsis of five year accomplishments: Devices that convert and store energy are generally made from heterogeneous constituent materials that act and interact to selectively conduct, transport, and separate mass, heat, and charge. Controlling these actions and interactions enables the technical breakthroughs that have made fuel cells, batteries, and solid state membranes, for example, essential parts of our society. In the biological sense, these materials are ‘vascular’ rather than primitive ‘cellular’ materials, in which the arrangements and configurations of the constituents (including their void phases) play essential and definitive roles in their functional capabilities. In 2009 a group of investigators, with lifetime investments of effort in the understanding of heterogeneous materials, recognized that the design of such material systems is not an optimization problem as such. Local interactions of the constituents create “emergent” properties and responses that are not part of the formal set of constituent characteristics, in much the same sense that society and culture is created by the group interactions of the people involved. The design of emergent properties is an open question in all formal science, but for energy materials the lack of this foundation science relegates development tasks to Edisonian trial and error, with anecdotal success and frequent costly failures. That group defined, for the first time, multi-scale heterogeneous functional materials with functional disordered and void phase regions as “HeteroFoaM,” and formed the first multidisciplinary research team to define and codify the foundation science of that material class. The primary goal of the HeteroFoaM Center was, and is, to create and establish the multi-scale fundamental knowledge and related methodology required for the rational and systematic multiphysics design of heterogeneous functional materials and their interfaces and surfaces for applications in energy

  14. Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters

    Science.gov (United States)

    Wang, F.-F.; Jenness, G.; Al-Saidi, W. A.; Jordan, K. D.

    2010-04-01

    Localized molecular orbital energy decomposition analysis and symmetry-adapted perturbation theory (SAPT) calculations are used to analyze the two- and three-body interaction energies of four low-energy isomers of (H2O)6 in order to gain insight into the performance of several popular density functionals for describing the electrostatic, exchange-repulsion, induction, and short-range dispersion interactions between water molecules. The energy decomposition analyses indicate that all density functionals considered significantly overestimate the contributions of charge transfer to the interaction energies. Moreover, in contrast to some studies that state that density functional theory (DFT) does not include dispersion interactions, we adopt a broader definition and conclude that for (H2O)6 the short-range dispersion interactions recovered in the DFT calculations account about 75% or more of the net (short-range plus long-range) dispersion energies obtained from the SAPT calculations.

  15. Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory.

    Science.gov (United States)

    Mo, Yirong; Bao, Peng; Gao, Jiali

    2011-04-21

    An interaction energy decomposition analysis method based on the block-localized wavefunction (BLW-ED) approach is described. The first main feature of the BLW-ED method is that it combines concepts of valence bond and molecular orbital theories such that the intermediate and physically intuitive electron-localized states are variationally optimized by self-consistent field calculations. Furthermore, the block-localization scheme can be used both in wave function theory and in density functional theory, providing a useful tool to gain insights on intermolecular interactions that would otherwise be difficult to obtain using the delocalized Kohn-Sham DFT. These features allow broad applications of the BLW method to energy decomposition (BLW-ED) analysis for intermolecular interactions. In this perspective, we outline theoretical aspects of the BLW-ED method, and illustrate its applications in hydrogen-bonding and π-cation intermolecular interactions as well as metal-carbonyl complexes. Future prospects on the development of a multistate density functional theory (MSDFT) are presented, making use of block-localized electronic states as the basis configurations.

  16. Analytical energy gradients for multiconfiguration self-consistent field wave functions with frozen core orbitals

    Science.gov (United States)

    Busch, Thilo; Esposti, Alessandra Degli; Werner, Hans-Joachim

    1991-05-01

    A method to calculate analytical energy gradients for multiconfiguration self-consistent field (MCSCF) wave functions with frozen core orbitals is presented. Since the core orbitals, which are taken from a closed shell SCF calculation, are not variationally optimized in the MCSCF procedure, it is necessary to determine their derivatives by solving a set of coupled perturbed Hartree-Fock (CPHF) equations. The technique is similar to the calculation of energy gradients for CI wave functions, but is complicated by the fact that the SCF and MCSCF orbitals are different. This makes it necessary to perform a transformation between the two orbital basis sets at an intermediate stage. The CPHF equations are solved by an iterative method, in which optionally part of the Hessian matrix can be constructed and inverted explicitly. Some applications of the method are presented. For the molecule P2S, optimized geometries for two isomers and a saddle point are compared for MCSCF wave functions with frozen and fully optimized core orbitals. It is demonstrated that in both cases virtually identical results are obtained and that the frozen-core approximation leads to significant savings in computer time. Some preliminary results are also reported for tetrasilabicyclo[1.1.0]butane, Si4H6.

  17. Application of energies of optimal frequency bands for fault diagnosis based on modified distance function

    Energy Technology Data Exchange (ETDEWEB)

    Zamanian, Amir Hosein [Southern Methodist University, Dallas (United States); Ohadi, Abdolreza [Amirkabir University of Technology (Tehran Polytechnic), Tehran (Iran, Islamic Republic of)

    2017-06-15

    Low-dimensional relevant feature sets are ideal to avoid extra data mining for classification. The current work investigates the feasibility of utilizing energies of vibration signals in optimal frequency bands as features for machine fault diagnosis application. Energies in different frequency bands were derived based on Parseval's theorem. The optimal feature sets were extracted by optimization of the related frequency bands using genetic algorithm and a Modified distance function (MDF). The frequency bands and the number of bands were optimized based on the MDF. The MDF is designed to a) maximize the distance between centers of classes, b) minimize the dispersion of features in each class separately, and c) minimize dimension of extracted feature sets. The experimental signals in two different gearboxes were used to demonstrate the efficiency of the presented technique. The results show the effectiveness of the presented technique in gear fault diagnosis application.

  18. Evaluating C-RAN Fronthaul Functional Splits in Terms of Network Level Energy and Cost Savings

    DEFF Research Database (Denmark)

    Checko, Aleksandra; Popovska Avramova, Andrijana; Berger, Michael Stübert

    2016-01-01

    split in the baseband processing chain has been proposed to overcome these challenges. This paper evaluates, by mathematical and simulation methods, different splits with respect to network level energy and cost efficiency having in the mind the expected quality of service.The proposed mathematical......The placement of the complete baseband processing in a centralized pool results in high data rate requirement and inflexibility of the fronthaul network, which challenges the energy and cost effectiveness of the cloud radio access network (C-RAN). Recently, redesign of the C-RAN through functional...... model quantifies the multiplexing gains and the trade-offs between centralization and decentralization concerning the cost of the pool, fronthaul network capacity and resource utilization. The event-based simulation captures the influence of the traffic load dynamics and traffic type variation...

  19. Potential energy curves for diatomic molecules calculated with numerical basis functions

    Science.gov (United States)

    Rantala, Tapio T.; Wästberg, Bo; Rosén, Arne

    1986-11-01

    A computational scheme for molecules is presented for the evaluation of total enregy properties such as potential energy curves and vibrational frequencies. The calculations are performed within the local density approximation utilizing the LCAO MO scheme with numerical basis functions, and multipole expansion of the molecular charge density is used to obtain the molecular potential. The total energy expression is written in terms of matrix elements already used for solving one-electron equations, and hence any evaluation of explicit integrals over charge density is avoided. The accuracy of the method and the effect of basis set incompleteness are studied for the CO and N 2 molecules and compared with fully numerical (basis-free) results.

  20. Determination of the electron energy distribution function of a low temperature plasma from optical emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dodt, Dirk Hilar

    2009-01-05

    The experimental determination of the electron energy distribution of a low pressure glow discharge in neon from emission spectroscopic data has been demonstrated. The spectral data were obtained with a simple overview spectrometer and analyzed using a strict probabilistic, Bayesian data analysis. It is this Integrated Data Analysis (IDA) approach, which allows the significant extraction of non-thermal properties of the electron energy distribution function (EEDF). The results bear potential as a non-invasive alternative to probe measurements. This allows the investigation of spatially inhomogeneous plasmas (gradient length smaller than typical probe sheath dimensions) and plasmas with reactive constituents. The diagnostic of reactive plasmas is an important practical application, needed e.g. for the monitoring and control of process plasmas. Moreover, the experimental validation of probe theories for magnetized plasmas as a long-standing topic in plasma diagnostics could be addressed by the spectroscopic method. (orig.)

  1. Shell energy in the heaviest nuclei using the Green's function oscillator expansion method

    Energy Technology Data Exchange (ETDEWEB)

    Cwiok, S.; Dudek, W.; Kaszynski, P. [Warsaw University of Technology, Institute of Physics, Warsaw (Poland); Nazarewicz, W. [University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Oak Ridge National Laboratory, Physics Division, P.O. Box 2008, Oak Ridge, TN (United States); Warsaw University, Institute of Theoretical Physics, Warsaw (Poland)

    2005-03-01

    The Green's function oscillator expansion method and the generalized Strutinsky smoothing procedure are applied to shell corrections in the heaviest elements. A macroscopic-microscopic method with a finite deformed Woods-Saxon potential is used. The stability condition for the shell correction is discussed in detail and the parameters defining the smoothing procedure are carefully determined. It is demonstrated that the spurious contribution to the total binding energy due to the unphysical particle gas that appears in the standard method can be as large as 1.5 MeV for weakly bound neutron-rich superheavy nuclei, but the effect on energy differences (e.g., alpha-decay values) is fairly small. (orig.)

  2. LDRD final report : energy conversion using chromophore-functionalized carbon nanotubes.

    Energy Technology Data Exchange (ETDEWEB)

    Vance, Andrew L.; Zifer, Thomas; Zhou, Xinjian; Leonard, Francois Leonard; Wong, Bryan Matthew; Kane, Alexander; Katzenmeyer, Aaron Michael; Krafcik, Karen Lee

    2010-09-01

    With the goal of studying the conversion of optical energy to electrical energy at the nanoscale, we developed and tested devices based on single-walled carbon nanotubes functionalized with azobenzene chromophores, where the chromophores serve as photoabsorbers and the nanotube as the electronic read-out. By synthesizing chromophores with specific absorption windows in the visible spectrum and anchoring them to the nanotube surface, we demonstrated the controlled detection of visible light of low intensity in narrow ranges of wavelengths. Our measurements suggested that upon photoabsorption, the chromophores isomerize to give a large change in dipole moment, changing the electrostatic environment of the nanotube. All-electron ab initio calculations were used to study the chromophore-nanotube hybrids, and show that the chromophores bind strongly to the nanotubes without disturbing the electronic structure of either species. Calculated values of the dipole moments supported the notion of dipole changes as the optical detection mechanism.

  3. Optimization of Moving Coil Actuators for Digital Displacement Machines

    DEFF Research Database (Denmark)

    Nørgård, Christian; Bech, Michael Møller; Roemer, Daniel Beck

    2016-01-01

    This paper focuses on deriving an optimal moving coil actuator design, used as force pro-ducing element in hydraulic on/off valves for Digital Displacement machines. Different moving coil actuator geometry topologies (permanent magnet placement and magnetiza-tion direction) are optimized for actu......This paper focuses on deriving an optimal moving coil actuator design, used as force pro-ducing element in hydraulic on/off valves for Digital Displacement machines. Different moving coil actuator geometry topologies (permanent magnet placement and magnetiza-tion direction) are optimized...... for actuating annular seat valves in a digital displacement machine. The optimization objectives are to the minimize the actuator power, the valve flow losses and the height of the actuator. Evaluation of the objective function involves static finite element simulation and simulation of an entire operation...... cycle using a single chamber Digital Displacement lumped parameter model. The optimization results shows that efficient operation is achievable using all of the proposed moving coil geometries, however some geometries require more space and actuator power. The most appealing of the optimized actuator...

  4. Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.

    Science.gov (United States)

    Harris, Robert C; Deng, Nanjie; Levy, Ronald M; Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2017-06-05

    Many biomolecules undergo conformational changes associated with allostery or ligand binding. Observing these changes in computer simulations is difficult if their timescales are long. These calculations can be accelerated by observing the transition on an auxiliary free energy surface with a simpler Hamiltonian and connecting this free energy surface to the target free energy surface with free energy calculations. Here, we show that the free energy legs of the cycle can be replaced with energy representation (ER) density functional approximations. We compute: (1) The conformational free energy changes for alanine dipeptide transitioning from the right-handed free energy basin to the left-handed basin and (2) the free energy difference between the open and closed conformations of β-cyclodextrin, a "host" molecule that serves as a model for molecular recognition in host-guest binding. β-cyclodextrin contains 147 atoms compared to 22 atoms for alanine dipeptide, making β-cyclodextrin a large molecule for which to compute solvation free energies by free energy perturbation or integration methods and the largest system for which the ER method has been compared to exact free energy methods. The ER method replaced the 28 simulations to compute each coupling free energy with two endpoint simulations, reducing the computational time for the alanine dipeptide calculation by about 70% and for the β-cyclodextrin by > 95%. The method works even when the distribution of conformations on the auxiliary free energy surface differs substantially from that on the target free energy surface, although some degree of overlap between the two surfaces is required. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  5. [Physical therapy for temporomandibular joint anterior disc displacement without reduction].

    Science.gov (United States)

    Cai, B

    2017-03-09

    Temporomandibular joint (TMJ) anterior disc displacement without reduction (ADDwoR) is a common type of temporomandibular joint disorders. Most patients experience limited mouth opening and joint pain at the same time. The standpoint of physical therapy is the function of the joint instead of the displaced disc. The treatment aims to make symptoms disappeared and joint function regained through 3M techniques, including modality, manual and movement. For ADDwoR patients with limited mouth opening within 2 month, manual therapy may reposition disc and the following splint and movement therapy can maintain disc-condyle relationship. Even so, restoring anatomical relationship is not the end of physical therapy. Enhanced health education and multidisciplinary cooperation are important for successful management of the ADDwoR patients.

  6. “Multi-functional Agriculture - Agriculture as a Resource for Energy and Environmental Preservation

    Directory of Open Access Journals (Sweden)

    the Editors

    2008-10-01

    Full Text Available In the present global situation, agriculture plays a major role in the interaction between socio-economic and biophysical processes. In addition to its principal and fundamental role of providing food, it now also needs to consider other ecosystem services provided by agriculture and to explore the new frontiers for the the future. In the 50’s of the 20th century the major topic was the introduction of inorganic fertilizers, in the 60’s the use of synthetic compounds for plant protection (insecticides, herbicides, fungicides, in the 70’s industrial crops, in the 80’s organic farming and the environmental impact of agronomic practices, and in the 90’s genetically modified crops (herbicide tolerance, insect resistance. In the current decade the themes are: land and water degradation, the production of agricultural biomass for bio-energy, and the increased expression of functional compounds in crops. The Bologna X Congress of ESA “Multi-functional Agriculture - Agriculture as a Resource for Energy and Environmental Preservation”, will meet the needs of finding tools to deal with environmental problems coupled with the increasing demand for food, and filling the knowledge gap on the physiological relationships between functional compound bio-synthesis and agricultural practices. Members of the European Society for Agronomy already have a deep knowledge of these issues, and the Bologna ESA Congress will provide an opportunity to develop them further particularly in regard to innovative agricultural techniques, new energy sources and better environmental monitoring.

  7. Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment

    Directory of Open Access Journals (Sweden)

    Diana E. Proffit

    2010-11-01

    Full Text Available Doping limits, band gaps, work functions and energy band alignments of undoped and donor-doped transparent conducting oxides Zn0, In2O3, and SnO2 as accessed by X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS are summarized and compared. The presented collection provides an extensive data set of technologically relevant electronic properties of photovoltaic transparent electrode materials and illustrates how these relate to the underlying defect chemistry, the dependence of surface dipoles on crystallographic orientation and/or surface termination, and Fermi level pinning.

  8. Neuroendocrine circuits governing energy balance and stress regulation: functional overlap and therapeutic implications.

    Science.gov (United States)

    Ulrich-Lai, Yvonne M; Ryan, Karen K

    2014-06-03

    Significant comorbidities between obesity-related metabolic disease and stress-related psychological disorders suggest important functional interactions between energy balance and brain stress integration. Largely overlapping neural circuits control these systems, and this anatomical arrangement optimizes opportunities for mutual influence. Here we first review the current literature identifying effects of metabolic neuroendocrine signals on stress regulation, and vice versa. Next, the contributions of reward-driven food intake to these metabolic and stress interactions are discussed. Lastly, we consider the interrelationships between metabolism, stress, and reward in light of their important implications in the development of therapies for metabolism- or stress-related disease. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. Evaluation of pulmonary function using single-breath-hold dual-energy computed tomography with xenon

    OpenAIRE

    Kyoyama, Hiroyuki; Hirata, Yusuke; Kikuchi, Satoshi; Sakai, Kosuke; Saito, Yuriko; Mikami, Shintaro; Moriyama, Gaku; Yanagita, Hisami; Watanabe, Wataru; Otani, Katharina; Honda, Norinari; Uematsu, Kazutsugu

    2017-01-01

    Abstract Xenon-enhanced dual-energy computed tomography (xenon-enhanced CT) can provide lung ventilation maps that may be useful for assessing structural and functional abnormalities of the lung. Xenon-enhanced CT has been performed using a multiple-breath-hold technique during xenon washout. We recently developed xenon-enhanced CT using a single-breath-hold technique to assess ventilation. We sought to evaluate whether xenon-enhanced CT using a single-breath-hold technique correlates with pu...

  10. On modified finite difference method to obtain the electron energy distribution functions in Langmuir probes

    Science.gov (United States)

    Kang, Hyun-Ju; Choi, Hyeok; Kim, Jae-Hyun; Lee, Se-Hun; Yoo, Tae-Ho; Chung, Chin-Wook

    2016-06-01

    A modified central difference method (MCDM) is proposed to obtain the electron energy distribution functions (EEDFs) in single Langmuir probes. Numerical calculation of the EEDF with MCDM is simple and has less noise. This method provides the second derivatives at a given point as the weighted average of second order central difference derivatives calculated at different voltage intervals, weighting each by the square of the interval. In this paper, the EEDFs obtained from MCDM are compared to those calculated via the averaged central difference method. It is found that MCDM effectively suppresses the noises in the EEDF, while the same number of points are used to calculate of the second derivative.

  11. On modified finite difference method to obtain the electron energy distribution functions in Langmuir probes

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun-Ju; Chung, Chin-Wook, E-mail: joykang@hanyang.ac.kr [Department of Electrical Engineering, Hanyang University, 222, Wangsimni-ro, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Choi, Hyeok; Kim, Jae-Hyun; Lee, Se-Hun; Yoo, Tae-Ho [Seoul Science High School, 63, Hyehwa-ro, Jongno-gu, Seoul 110-530 (Korea, Republic of)

    2016-06-15

    A modified central difference method (MCDM) is proposed to obtain the electron energy distribution functions (EEDFs) in single Langmuir probes. Numerical calculation of the EEDF with MCDM is simple and has less noise. This method provides the second derivatives at a given point as the weighted average of second order central difference derivatives calculated at different voltage intervals, weighting each by the square of the interval. In this paper, the EEDFs obtained from MCDM are compared to those calculated via the averaged central difference method. It is found that MCDM effectively suppresses the noises in the EEDF, while the same number of points are used to calculate of the second derivative.

  12. Variable displacement alpha-type Stirling engine

    Science.gov (United States)

    Homutescu, V. M.; Bălănescu, D. T.; Panaite, C. E.; Atanasiu, M. V.

    2016-08-01

    The basic design and construction of an alpha-type Stirling engine with on load variable displacement is presented. The variable displacement is obtained through a planar quadrilateral linkage with one on load movable ground link. The physico-mathematical model used for analyzing the variable displacement alpha-type Stirling engine behavior is an isothermal model that takes into account the real movement of the pistons. Performances and power adjustment capabilities of such alpha-type Stirling engine are calculated and analyzed. An exemplification through the use of the numerical simulation was performed in this regard.

  13. SU-F-J-91: Sparing Lung Function in Treatment Planning Using Dual Energy Tomography

    Energy Technology Data Exchange (ETDEWEB)

    Lapointe, A; Bahig, H; Zerouali, K; Blais, D; Carrier, J; Filion, E; Roberge, D; Bedwani, S [Centre Hospitalier de l’Universite de Montreal, Montreal, QC (Canada); De Guise, J [Centre de Recherche du Centre Hospitalier de l’Universite de Montreal, Montreal, QC (Canada)

    2016-06-15

    Purpose: To propose an alternate treatment plan that minimizes the dose to the functional lung tissues. In clinical situation, the evaluation of the lung functionality is typically derived from perfusion scintigraphy. However, such technique has spatial and temporal resolutions generally inferior to those of a CT scan. Alternatively, it is possible to evaluate pulmonary function by analysing the iodine concentration determined via contrast-enhanced dual energy CT (DECT) scan. Methods: Five lung cancer patients underwent a scintigraphy and a contrast-enhanced DECT scan (SOMATOM Definition Flash, Siemens). The iodine concentration was evaluated using the two-material decomposition method to produce a functional map of the lung. The validation of the approach is realized by comparison between the differential function computed by DECT and scintigraphy. The functional map is then used to redefine the V5 (volume of the organ that received more than 5 Gy during a radiotherapy treatment) to a novel functional parameter, the V5f. The V5f, that uses a volume weighted by its function level, can assist in evaluating optimal beam entry points for a specific treatment plan. Results: The results show that the differential functions obtained by scintigraphy and DECT are in good agreement with a mean difference of 6%. In specific cases, we are able to visually correlate low iodine concentration with abnormal pulmonary lung or cancerous tumors. The comparison between V5f and V5 has shown that some entry points can be better exploited and that new ones are now accessible, 2.34 times more in average, without increasing the V5f - thus allowing easier optimization of other planning objectives. Conclusion: In addition to the high-resolution DECT images, the iodine map provides local information used to detect potential functional heterogeneities in the 3D space. We propose that this information be used to calculate new functional dose parameters such as the V5f. The presenting author

  14. Stress intensity and crack displacement for small edge cracks

    Science.gov (United States)

    Orange, Thomas W.

    1988-01-01

    The weight function method was used to derive stress intensity factors and crack mouth displacement coefficients for small edge cracks (less than 20 percent of the specimen width) in common fracture specimen configurations. Contact stresses due to point application of loads were found to be small but significant for three-point bending and insignificant for four-point bending. The results are compared with available equations and numerical solutions from the literature and with unpublished boundary collocation results.

  15. Extended Thomas-Fermi kinetic energy density functional with spatially varying effective mass in d=1,2,3 dimensions

    Science.gov (United States)

    Berkane, K.; Bencheikh, K.

    2005-08-01

    For first-principles density functional theory of a many fermion system, the determination of the kinetic energy functional is important. We consider N independent fermions with spatially varying effective mass in two dimensions, we derive the corresponding kinetic energy density using the ℏ semiclassical approach. Our result reduces, as expected, to the one obtained in the literature for a constant effective mass. We examine the analytical expressions of the position dependent effective mass terms in the kinetic energy density functional with respect to the dimensionality d=1,2,3 of the space.

  16. Noncovalent Functionalization of Graphene and Graphene Oxide for Energy Materials, Biosensing, Catalytic, and Biomedical Applications.

    Science.gov (United States)

    Georgakilas, Vasilios; Tiwari, Jitendra N; Kemp, K Christian; Perman, Jason A; Bourlinos, Athanasios B; Kim, Kwang S; Zboril, Radek

    2016-05-11

    This Review focuses on noncovalent functionalization of graphene and graphene oxide with various species involving biomolecules, polymers, drugs, metals and metal oxide-based nanoparticles, quantum dots, magnetic nanostructures, other carbon allotropes (fullerenes, nanodiamonds, and carbon nanotubes), and graphene analogues (MoS2, WS2). A brief description of π-π interactions, van der Waals forces, ionic interactions, and hydrogen bonding allowing noncovalent modification of graphene and graphene oxide is first given. The main part of this Review is devoted to tailored functionalization for applications in drug delivery, energy materials, solar cells, water splitting, biosensing, bioimaging, environmental, catalytic, photocatalytic, and biomedical technologies. A significant part of this Review explores the possibilities of graphene/graphene oxide-based 3D superstructures and their use in lithium-ion batteries. This Review ends with a look at challenges and future prospects of noncovalently modified graphene and graphene oxide.

  17. Stored energy function and compressibility of compressible rubberlike materials under large strain

    Science.gov (United States)

    Peng, S. T. J.; Landel, R. F.

    1975-01-01

    By using new invariants in the theory of finite elasticity an expression is obtained for the stored energy function of slightly compressible materials in which the effects of the distortional change (change of shape) and of the volume change are clearly separated. The volume-related terms are expressed as a function of the third invariant, the classical compressibility, and an induced anisotropy of the effective compressibility which is due to the large deformations. After evaluating the terms, using data on pressure, volume, uniaxial strain, and fractional volume change vs strain data on natural rubber from the literature, it is shown that the volume change contribution to the total stress observed in a simple tensile experiment can be clearly separated from the distortional contribution, even at finite strains.

  18. Guaiacol hydrodeoxygenation mechanism on Pt(111): insights from density functional theory and linear free energy relations.

    Science.gov (United States)

    Lee, Kyungtae; Gu, Geun Ho; Mullen, Charles A; Boateng, Akwasi A; Vlachos, Dionisios G

    2015-01-01

    Density functional theory is used to study the adsorption of guaiacol and its initial hydrodeoxygenation (HDO) reactions on Pt(111). Previous Brønsted-Evans-Polanyi (BEP) correlations for small open-chain molecules are inadequate in estimating the reaction barriers of phenolic compounds except for the side group (methoxy) carbon-dehydrogenation. New BEP relations are established using a select group of phenolic compounds. These relations are applied to construct a potential-energy surface of guaiacol-HDO to catechol. Analysis shows that catechol is mainly produced via dehydrogenation of the methoxy functional group followed by the CHx (xhypothesis of a direct demethylation path. Dehydroxylation and demethoxylation are slow, implying that phenol is likely produced from catechol but not through its direct dehydroxylation followed by aromatic carbon-ring hydrogenation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Functional materials for information and energy technology: Insights by photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Müller, Martina [Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich (Germany); JARA Jülich-Aachen Research Alliance, Forschungszentrum Jülich, 52425 Jülich (Germany); Fakultät für Physik, Universität Duisburg-Essen, 47048 Duisburg (Germany); Nemšák, Slavomír; Plucinski, Lukasz [Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich (Germany); JARA Jülich-Aachen Research Alliance, Forschungszentrum Jülich, 52425 Jülich (Germany); Schneider, Claus M., E-mail: c.m.schneider@fz-juelich.de [Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich (Germany); JARA Jülich-Aachen Research Alliance, Forschungszentrum Jülich, 52425 Jülich (Germany); Fakultät für Physik, Universität Duisburg-Essen, 47048 Duisburg (Germany)

    2016-04-15

    Highlights: • Photoemission spectro/microscopy studies of functional material systems. • Hard X-ray photoemission spectroscopy from magnetic semiconductors and insulators. • Information depth studies in hard X-ray photoemission microscopy. • Soft X-ray standing wave ambient pressure photoemission spectroscopy from liquid films. - Abstract: The evolution of both information and energy technology is intimately connected to complex condensed matter systems, the properties of which are determined by electronic and chemical interactions and processes on a broad range of length and time scales. Dedicated photoelectron spectroscopy and spectromicroscopy experiments can provide important insights into fundamental phenomena and applied functionalities. We discuss some recent methodological developments with application to relevant questions in spintronics, and towards operando studies of resistive switching and electrochemical processes.

  20. High energy QCD at NLO: from light-cone wave function to JIMWLK evolution

    Science.gov (United States)

    Lublinsky, Michael; Mulian, Yair

    2017-05-01

    Soft components of the light cone wave-function of a fast moving projectile hadron is computed in perturbation theory to the third order in QCD coupling constant. At this order, the Fock space of the soft modes consists of one-gluon, two-gluon, and a quark-antiquark states. The hard component of the wave-function acts as a non-Abelian background field for the soft modes and is represented by a valence charge distribution that accounts for non-linear density effects in the projectile. When scattered off a dense target, the diagonal element of the S-matrix reveals the Hamiltonian of high energy evolution, the JIMWLK Hamiltonian. This way we provide a new direct derivation of the JIMWLK Hamiltonian at the Next-to-Leading Order.

  1. The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?

    Science.gov (United States)

    Wykes, M.; Pérez-Jiménez, A. J.; Adamo, C.; Sancho-García, J. C.

    2015-06-01

    We have systematically analyzed the performance of some representative double-hybrid density functionals (including PBE0-DH, PBE-QIDH, PBE0-2, XYG3, XYGJ-OS, and xDH-PBE0) for a recently introduced database of diene isomerization energies. Double-hybrid models outperform their corresponding hybrid forms (for example, PBE0-DH, PBE0-2, and PBE-QIDH are more accurate than PBE0) and the XYG3, XYGJ-OS, and xDH-PBE0 functionals perform excellently, providing root mean square deviation values within "calibration accuracy." XYGJ-OS and xDH-PBE0 also rival the best performing post-Hartree-Fock methods at a substantially lower cost.

  2. PDT - PARTICLE DISPLACEMENT TRACKING SOFTWARE

    Science.gov (United States)

    Wernet, M. P.

    1994-01-01

    Particle Imaging Velocimetry (PIV) is a quantitative velocity measurement technique for measuring instantaneous planar cross sections of a flow field. The technique offers very high precision (1%) directionally resolved velocity vector estimates, but its use has been limited by high equipment costs and complexity of operation. Particle Displacement Tracking (PDT) is an all-electronic PIV data acquisition and reduction procedure which is simple, fast, and easily implemented. The procedure uses a low power, continuous wave laser and a Charged Coupled Device (CCD) camera to electronically record the particle images. A frame grabber board in a PC is used for data acquisition and reduction processing. PDT eliminates the need for photographic processing, system costs are moderately low, and reduced data are available within seconds of acquisition. The technique results in velocity estimate accuracies on the order of 5%. The software is fully menu-driven from the acquisition to the reduction and analysis of the data. Options are available to acquire a single image or 5- or 25-field series of images separated in time by multiples of 1/60 second. The user may process each image, specifying its boundaries to remove unwanted glare from the periphery and adjusting its background level to clearly resolve the particle images. Data reduction routines determine the particle image centroids and create time history files. PDT then identifies the velocity vectors which describe the particle movement in the flow field. Graphical data analysis routines are included which allow the user to graph the time history files and display the velocity vector maps, interpolated velocity vector grids, iso-velocity vector contours, and flow streamlines. The PDT data processing software is written in FORTRAN 77 and the data acquisition routine is written in C-Language for 80386-based IBM PC compatibles running MS-DOS v3.0 or higher. Machine requirements include 4 MB RAM (3 MB Extended), a single or

  3. Gamma induced atom displacements in LYSO and LuYAP crystals as used in medical imaging applications

    Energy Technology Data Exchange (ETDEWEB)

    Piñera, Ibrahin, E-mail: ipinera@ceaden.edu.cu [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Cruz, Carlos M.; Abreu, Yamiel; Leyva, Antonio [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Van Espen, Piet [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium); Díaz, Angelina; Cabal, Ana E. [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Van Remortel, Nick [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium)

    2015-08-01

    The radiation damage, in terms of atom displacements, induced by gamma irradiation in LYSO and LuYAP crystals is presented. {sup 44}Sc, {sup 22}Na and {sup 48}V are used as gamma sources for this study. The energy of gammas from the electron–positron annihilation processes (511 keV) is also included in the study. The atom displacements distributions inside each material are calculated following the Monte Carlo assisted Classical Method introduced by the authors. This procedure also allows to study the atom displacements in-depth distributions inside each crystal. The atom displacements damage in LYSO crystals is found to be higher than in LuYAP crystals, mainly provoked by the displacements of silicon and oxygen atoms. But the difference between atom displacements produced in LYSO and LuYAP decreases when more energetic sources are used. On the other hand, the correlation between the atom displacements and energy deposition in-depth distributions is excellent. The atom displacements to energy deposition ratio is found to increases with more energetic photon sources. LYSO crystals are then more liable to the atom displacements damage than LuYAP crystals.

  4. Energy

    CERN Document Server

    Robertson, William C

    2002-01-01

    Confounded by kinetic energy? Suspect that teaching about simple machines isn t really so simple? Exasperated by electricity? If you fear the study of energy is beyond you, this entertaining book will do more than introduce you to the topic. It will help you actually understand it. At the book s heart are easy-to-grasp explanations of energy basics work, kinetic energy, potential energy, and the transformation of energy and energy as it relates to simple machines, heat energy, temperature, and heat transfer. Irreverent author Bill Robertson suggests activities that bring the basic concepts of energy to life with common household objects. Each chapter ends with a summary and an applications section that uses practical examples such as roller coasters and home heating systems to explain energy transformations and convection cells. The final chapter brings together key concepts in an easy-to-grasp explanation of how electricity is generated. Energy is the second book in the Stop Faking It! series published by NS...

  5. Outcome of alternative approach to displaced acetabular fractures.

    Science.gov (United States)

    Park, K S; Chan, C K; Lee, G W; Ahn, H W; Yoon, T R

    2017-02-01

    Anatomical reduction of displaced acetabular fracture is not without its' limitations and complications. This study is conducted to assess clinical and radiological outcomes as well as complications of treating displaced acetabular fractures with emphasis on anatomical reduction in weight-bearing area, mainly the posterior column, and imperfect reduction of the anterior column is acceptable. However, stability of both columns is mandatory. It was a retrospective study carried out in a Level 1 arthroplasty and trauma centre. 23 patients (17 males, 6 females) with average age of 50.1 years (range, 36-68 years) with displaced acetabular fracture treated with combined incisions and plate-cable systems were included. There were 3 elementary and 18 associated fractures according to Letournel classification. Average follow-up was 23.5 months (range, 12-38.7 months). Mean operation time was 160min (range: 75-320min). Functional scores were evaluated using Harris Hip Score (HHS) whilst reduction was assessed by Matta criteria. Any displacement of reduction, osteoarthritis, heterotopic ossification, and other complications was recorded. 65.2% (15/23) of the patients obtained excellent HHS and 21.7% (5/23) had good HHS. There were 12 anatomical, 6 imperfect, and 5 poor reductions. No displacement was recorded in final follow-up. Complications documented: three lateral femoral cutaneous nerve injuries, two conversions to total hip arthroplasty, three Brooker stage 1 heterotrophic ossification, one pulmonary embolism and one screw irritation. No incidence of wound breakdown, infection and radiological osteoarthritis was reported. Imperfect reduction of the anterior column provided clinical outcomes that are as good as total anatomical reduction. This approach minimizes soft tissue damage and reduces perioperative morbidities. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Assisting the return of displaced Dinka Bor

    Directory of Open Access Journals (Sweden)

    Paul Murphy

    2005-11-01

    Full Text Available The issues involved in supporting the return of internally displaced Dinka Bor communities highlight the complex, and often ignored, challenges of addressing the consequencesof South-South conflict.

  7. Colombia’s displaced indigenous women

    Directory of Open Access Journals (Sweden)

    Gina Escobar Cuero

    2017-10-01

    Full Text Available Indigenous peoples are one of the most vulnerable groups within Colombia’s internally displaced population, and a lack of understanding of their culture and needs constitutes a major challenge to their protection and assistance.

  8. Miscible, Porous Media Displacements with Density Stratification

    National Research Council Canada - National Science Library

    RIAZ, AMIR; MEIBURG, ECKART

    2004-01-01

    A bstract : High accuracy, three‐dimensional numerical simulations of miscible displacements with gravity override, in both homogeneous and heterogeneous porous media, are discussed for the quarter five‐spot configuration...

  9. Epitaxial growth by monolayer restricted galvanic displacement

    Directory of Open Access Journals (Sweden)

    Vasilić Rastko

    2012-01-01

    Full Text Available The development of a new method for epitaxial growth of metals in solution by galvanic displacement of layers pre-deposited by underpotential deposition (UPD was discussed and experimentally illustrated throughout the lecture. Cyclic voltammetry (CV and scanning tunneling microscopy (STM are employed to carry out and monitor a “quasi-perfect”, two-dimensional growth of Ag on Au(111, Cu on Ag(111, and Cu on Au(111 by repetitive galvanic displacement of underpotentially deposited monolayers. A comparative study emphasizes the displacement stoichiometry as an efficient tool for thickness control during the deposition process and as a key parameter that affects the deposit morphology. The excellent quality of layers deposited by monolayer-restricted galvanic displacement is manifested by a steady UPD voltammetry and ascertained by a flat and uniform surface morphology maintained during the entire growth process.

  10. Displacement pile installation effects in sand

    NARCIS (Netherlands)

    Beijer-Lundberg, A.

    2015-01-01

    Installation effects govern the post-installation behaviour of displacement piles in sand. These effects are currently not completely understood. Suitable experimental techniques to model these installation effects include field, laboratory and experimental models. In the current thesis a

  11. Influence of pressure on ion energy distribution functions in EUV-induced hydrogen plasmas

    Science.gov (United States)

    van de Ven, T. H. M.; Reefman, P.; de Meijere, C. A.; Banine, V. Y.; Beckers, J.

    2016-09-01

    Next-generation lithography tools currently use Extreme Ultraviolet (EUV) radiation to create even smaller features on computer chips. The high energy photons (92 eV) induce a plasma in the low pressure background gas by photoionization. Industries have realized that these plasmas are of significant importance with respect to machine lifetime because impacting ions affect exposed surfaces. The mass resolved ion energy distribution function (IEDF) is therefore one of the main plasma parameters of interest. In this research an ion mass spectrometer is used to investigate IEDFs of ions impacting on surfaces in EUV-induced plasmas. EUV radiation is focused into a vessel with a low pressure hydrogen environment. Here, photoionization creates free electrons with energies up to 76 eV, which further ionize the background gas. The influence of the pressure on plasma composition and IEDFs has been investigated in the range 0.1-10 Pa. In general the ion fluxes towards the surface increase with pressure. However, above 5 Pa the flux of H2+ is not affected by the increase in pressure due to the balance between the creation of H2+ and the conversion of H2+ to H3+. These results will be used to benchmark plasma scaling models and verify numerical simulations.

  12. SIMMER extension for multigroup energy structure search using genetic algorithm with different fitness functions

    Directory of Open Access Journals (Sweden)

    Mattia Massone

    2017-09-01

    Full Text Available The multigroup transport theory is the basis for many neutronics modules. A significant point of the cross-section (XS generation procedure is the choice of the energy groups' boundaries in the XS libraries, which must be carefully selected as an unsuitable energy meshing can easily lead to inaccurate results. This decision can require considerable effort and is particularly difficult for the common user, especially if not well-versed in reactor physics. This work investigates a genetic algorithm-based tool which selects an appropriate XS energy structure (ES specific for the considered problem, to be used for the condensation of a fine multigroup library. The procedure is accelerated by results storage and fitness calculation speed-up and can be easily parallelized. The extension is applied to the coupled code SIMMER and tested on the European Sustainable Nuclear Industrial Initiative (ESNII+ Advanced Sodium Technological Reactor for Industrial Demonstration (ASTRID-like reactor system with different fitness functions. The results show that, when the libraries are condensed based on the ESs suggested by the algorithm, the code actually returns the correct multiplication factor, in both reference and voided conditions. The computational effort reduction obtained by using the condensed library rather than the fine one is assessed and is much higher than the time required for the ES search.

  13. Wind energy analysis based on maximum entropy principle (MEP)-type distribution function

    Energy Technology Data Exchange (ETDEWEB)

    Akpinar, S. [Physics Department, Firat University, 23279, Elazig (Turkey); Kavak Akpinar, E. [Mechanical Engineering Department, Firat University, 23279, Elazig (Turkey)

    2007-04-15

    This paper reports an analysis of the wind characteristics of four stations (Elazig-Maden, Elazig-Keban, Elazig, Elazig-Agin) that have been investigated over a period of 8 years (1998-2005). The probabilistic distributions of wind speed are a critical piece of information needed in the assessment of wind energy potential, which have been conventionally described by various empirical correlations. Among the empirical correlations, the Weibull distribution has been the most popular one due to its ability to fit most accurately the variety of wind speed data measured at different geographical locations in the world. This study develops a theoretical approach to the analytical determination of wind speed distributions through application of the maximum entropy principle (MEP). The statistical analysis parameter based on wind power density is used as the suitable judgment criterion for the distribution functions. It is shown that the MEP type distributions not only agree better with a variety of measured wind speed data than the conventionally used empirical Weibull distribution but also can represent the wind power density much more accurately. Therefore, the MEP type distributions are more suitable for assessment of the wind energy potential and the performance of wind energy conversion systems. (author)

  14. Multi-functional electrospun nanofibres for advances in tissue regeneration, energy conversion & storage, and water treatment.

    Science.gov (United States)

    Peng, Shengjie; Jin, Guorui; Li, Linlin; Li, Kai; Srinivasan, Madhavi; Ramakrishna, Seeram; Chen, Jun

    2016-03-07

    Tissue regeneration, energy conversion & storage, and water treatment are some of the most critical challenges facing humanity in the 21st century. In order to address such challenges, one-dimensional (1D) materials are projected to play a key role in developing emerging solutions for the increasingly complex problems. Eletrospinning technology has been demonstrated to be a simple, versatile, and cost-effective method in fabricating a rich variety of materials with 1D nanostructures. These include polymers, composites, and inorganic materials with unique chemical and physical properties. In this tutorial review, we first give a brief introduction to electrospun materials with a special emphasis on the design, fabrication, and modification of 1D functional materials. Adopting the perspective of chemists and materials scientists, we then focus on the recent significant progress made in the domains of tissue regeneration (e.g., skin, nerve, heart and bone) and conversion & storage of clean energy (e.g., solar cells, fuel cells, batteries, and supercapacitors), where nanofibres have been used as active nanomaterials. Furthermore, this review's scope also includes the advances in the use of electrospun materials for the removal of heavy metal ions, organic pollutants, gas and bacteria in water treatment applications. Finally a conclusion and perspective is provided, in which we discuss the remaining challenges for 1D electrospun nanomaterials in tissue regeneration, energy conversion & storage, and water treatment.

  15. Method for Determining the Activation Energy Distribution Function of Complex Reactions by Sieving and Thermogravimetric Measurements.

    Science.gov (United States)

    Bufalo, Gennaro; Ambrosone, Luigi

    2016-01-14

    A method for studying the kinetics of thermal degradation of complex compounds is suggested. Although the method is applicable to any matrix whose grain size can be measured, herein we focus our investigation on thermogravimetric analysis, under a nitrogen atmosphere, of ground soft wheat and ground maize. The thermogravimetric curves reveal that there are two well-distinct jumps of mass loss. They correspond to volatilization, which is in the temperature range 298-433 K, and decomposition regions go from 450 to 1073 K. Thermal degradation is schematized as a reaction in the solid state whose kinetics is analyzed separately in each of the two regions. By means of a sieving analysis different size fractions of the material are separated and studied. A quasi-Newton fitting algorithm is used to obtain the grain size distribution as best fit to experimental data. The individual fractions are thermogravimetrically analyzed for deriving the functional relationship between activation energy of the degradation reactions and the particle size. Such functional relationship turns out to be crucial to evaluate the moments of the activation energy distribution, which is unknown in terms of the distribution calculated by sieve analysis. From the knowledge of moments one can reconstruct the reaction conversion. The method is applied first to the volatilization region, then to the decomposition region. The comparison with the experimental data reveals that the method reproduces the experimental conversion with an accuracy of 5-10% in the volatilization region and of 3-5% in the decomposition region.

  16. Covariant energy density functionals: parametric correlations and the propagation of statistical errors

    Science.gov (United States)

    Agbemava, Sylvester; Afanasjev, Anatoli

    2017-09-01

    Because of the complexity of nuclear many-body problem modern theoretical tools rely on some approximations in its solution. As a result, it becomes necessary to estimate theoretical uncertainties in the description of physical observables. This is especially important when one deals with the extrapolations beyond the known regions. There are two types of such uncertainties: systematic and statistical. Systematic theoretical uncertainties in the description of physical observables within the covariant density functional theory have been evaluated in. Present work is focused on the evaluation of statistical uncertainties for major classes of covariant energy density functionals (CEDFs) and their propagation with particle number (towards extremes of nuclear landscape) and deformation. These uncertainties are evaluated for different classes of physical observables (ground state and single-particle properties, fission barriers) and compared with systematic ones. Moreover, the correlations between the parameters of the CEDFs are evaluated with the goal to see to which degree they are independent. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under Award No. DE-SC0013037.

  17. Convexity of Energy-Like Functions: Theoretical Results and Applications to Power System Operations

    Energy Technology Data Exchange (ETDEWEB)

    Dvijotham, Krishnamurthy [California Inst. of Technology (CalTech), Pasadena, CA (United States); Low, Steven [California Inst. of Technology (CalTech), Pasadena, CA (United States); Chertkov, Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-01-12

    Power systems are undergoing unprecedented transformations with increased adoption of renewables and distributed generation, as well as the adoption of demand response programs. All of these changes, while making the grid more responsive and potentially more efficient, pose significant challenges for power systems operators. Conventional operational paradigms are no longer sufficient as the power system may no longer have big dispatchable generators with sufficient positive and negative reserves. This increases the need for tools and algorithms that can efficiently predict safe regions of operation of the power system. In this paper, we study energy functions as a tool to design algorithms for various operational problems in power systems. These have a long history in power systems and have been primarily applied to transient stability problems. In this paper, we take a new look at power systems, focusing on an aspect that has previously received little attention: Convexity. We characterize the domain of voltage magnitudes and phases within which the energy function is convex in these variables. We show that this corresponds naturally with standard operational constraints imposed in power systems. We show that power of equations can be solved using this approach, as long as the solution lies within the convexity domain. We outline various desirable properties of solutions in the convexity domain and present simple numerical illustrations supporting our results.

  18. Building a Universal Nuclear Energy Density Functional (UNEDF): SciDAC-2 Project

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, Joe; Furnstahl, Dick; Lusk, Rusty; Nazarewicz, Witek; Ng, Esmond; Thompson, Ian; Vary, James

    2012-06-30

    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. 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; and third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

  19. Instability in Immiscible Fluids Displacement from Cracks and Porous Samples

    Science.gov (United States)

    Smirnov, N. N.; Nikitin, V. F.; Ivashnyov, O. E.

    2002-01-01

    number of fingers in the cell, and allowed us to make some additional suggestions for the cleanup procedure. depending on the resident fluid properties, for which the displacement still remains stable. viscous one were carried out. Validation of the code was performed by comparing the results of model problems simulations with the existing solutions published in literature. Being in a good agreement with the previously obtained results, nevertheless, the developed code is an advanced one. While the existing codes could operate with linear equations and regular geometry and initial disturbances only, the new code permits taking into account non-linear effects as well. characterizing the quality of displacement. The functional dependence of the dimensionless criteria on the values of governing parameters needs further investigations. Services, an international company in the oil and gas industry.

  20. Phenomenon of displacement in Arabic language

    Directory of Open Access Journals (Sweden)

    2015-09-01

    Full Text Available Displacement is one of the characteristics of language and common phenomena in the Arabic language. Not only is this phenomenon limited to Arabic poetry and prose, but it is also broadened, so we can see examples of this in the Qur'an. Because of this phenomenon extensively in Arabic literature and also because of its essence that leads to the transmission of the elements for the first visibility to the other visibility in the sentence and sometimes had to change the grammatical role of the words, its identify helps us in a better understanding of text and the correct translation of it and protects the reader from mistakes. This paper in the descriptive analytical approach tries studying of the phenomenon of the displacement in the Arabic language and bringing its instances in Arabic poetry and prose as well as verses contained in the Holy Quran, to show that through the types and characteristics in the Arabic language and to response to several questions, including: how important is the displacement and what is its types in rhetoric, and the reasons of the displacement, and etc... Of the most important results of this study may refer to the undeniable role of the displacement as a rhetorical method to better understanding of the texts including: one of the most important reasons of the displacement in the use of language is to improve speech verbally and morally, and violation of the standard language and create a poetic atmosphere, and the recognition of the occurrence of the phenomenon of displacement in the Arabic language that uphold different interpretations remote and estimates when faced with the displacement in the text and help us to understand it and etc...

  1. 2014 and beyond: implications for displacement

    Directory of Open Access Journals (Sweden)

    Aidan O’Leary

    2014-05-01

    Full Text Available 2014 marks a watershed for Afghanistan, with the withdrawal of the International Security Assistance Force after twelve years, and the very real risks this withdrawal poses to the capacity of the Afghan state to meet the many internal and external challenges faced by the country. These challenges have significant implications for displaced and returning Afghans and for the potential for displacement in the future.

  2. Histone displacement during nucleotide excision repair

    DEFF Research Database (Denmark)

    Dinant, C.; Bartek, J.; Bekker-Jensen, S.

    2012-01-01

    chromatin. The condensed nature of chromatin inhibits many DNA metabolizing activities, including NER. In order to promote efficient repair, detection of a lesion not only has to activate the NER pathway but also chromatin remodeling. In general, such remodeling is thought on the one hand to precede NER...... of histone variants and histone displacement (including nucleosome sliding). Here we review current knowledge, and speculate about current unknowns, regarding those chromatin remodeling activities that physically displace histones before, during and after NER....

  3. Suppression of displacement in severely slowed saccades

    OpenAIRE

    MacAskill, Michael R; Tim J. Anderson; Jones, Richard D

    2000-01-01

    Severely slowed saccades in spinocerebellar ataxia have previously been shown to be at least partially closed-loop in nature: their long duration means that they can be modified in-flight in response to intrasaccadic target movements. In this study, a woman with these pathologically slowed saccades could modify them in-flight in response to target movements, even when saccadic suppression of displacement prevented conscious awareness of those movements. Thus saccadic suppression of displace...

  4. On the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function.

    Science.gov (United States)

    Li, Lin; Li, Chuan; Alexov, Emil

    2014-05-01

    Traditional implicit methods for modeling electrostatics in biomolecules use a two-dielectric approach: a biomolecule is assigned low dielectric constant while the water phase is considered as a high dielectric constant medium. However, such an approach treats the biomolecule-water interface as a sharp dielectric border between two homogeneous dielectric media and does not account for inhomogeneous dielectric properties of the macromolecule as well. Recently we reported a new development, a smooth Gaussian-based dielectric function which treats the entire system, the solute and the water phase, as inhomogeneous dielectric medium (J Chem Theory Comput. 2013 Apr 9; 9(4): 2126-2136.). Here we examine various aspects of the modeling of polar solvation energy in such inhomogeneous systems in terms of the solute-water boundary and the inhomogeneity of the solute in the absence of water surrounding. The smooth Gaussian-based dielectric function is implemented in the DelPhi finite-difference program, and therefore the sensitivity of the results with respect to the grid parameters is investigated, and it is shown that the calculated polar solvation energy is almost grid independent. Furthermore, the results are compared with the standard two-media model and it is demonstrated that on average, the standard method overestimates the magnitude of the polar solvation energy by a factor 2.5. Lastly, the possibility of the solute to have local dielectric constant larger than of a bulk water is investigated in a benchmarking test against experimentally determined set of pKa's and it is speculated that side chain rearrangements could result in local dielectric constant larger than 80.

  5. Small molecule-mediated control of hydroxyapatite growth: free energy calculations benchmarked to density functional theory.

    Science.gov (United States)

    Xu, Zhijun; Yang, Yang; Wang, Ziqiu; Mkhonto, Donald; Shang, Cheng; Liu, Zhi-Pan; Cui, Qiang; Sahai, Nita

    2014-01-05

    The unique, plate-like morphology of hydroxyapatite (HAP) nanocrystals in bone lends to the hierarchical structure and functions of bone. Proteins enriched in phosphoserine (Ser-OPO3) and glutamic acid (Glu) residues have been proposed to regulate crystal morphology; however, the atomic-level mechanisms remain unclear. Previous molecular dynamics studies addressing biomineralization have used force fields with limited benchmarking, especially at the water/mineral interface, and often limited sampling for the binding free energy profile. Here, we use the umbrella sampling/weighted histogram analysis method to obtain the adsorption free energy of Ser-OPO3 and Glu on HAP (100) and (001) surfaces to understand organic-mediated crystal growth. The calculated organic-water-mineral interfacial energies are carefully benchmarked to density functional theory calculations, with explicit inclusion of solvating water molecules around the adsorbate plus the Poisson-Boltzmann continuum model for long-range solvation effects. Both amino acids adsorb more strongly on the HAP (100) face than the (001) face. Growth rate along the [100] direction should then be slower than in the [001] direction, resulting in plate-like crystal morphology with greater surface area for the (100) than the (001) face, consistent with bone HAP crystal morphology. Thus, even small molecules are capable of regulating bone crystal growth by preferential adsorption in specific directions. Furthermore, Ser-OPO3 is a more effective growth modifier by adsorbing more strongly than Glu on the (100) face, providing one possible explanation for the energetically expensive process of phosphorylation of some proteins involved in bone biomineralization. The current results have broader implications for designing routes for biomimetic crystal synthesis. Copyright © 2013 Wiley Periodicals, Inc.

  6. The receptive function of hypothalamic and brainstem centres to hormonal and nutrient signals affecting energy balance.

    Science.gov (United States)

    Riediger, Thomas

    2012-11-01

    The hypothalamic arcuate nucleus (ARC) and the area postrema (AP) represent targets for hormonal and metabolic signals involved in energy homoeostasis, e.g. glucose, amylin, insulin, leptin, peptide YY (PYY), glucagon-like peptide 1 (GLP-1) and ghrelin. Orexigenic neuropeptide Y expressing ARC neurons are activated by food deprivation and inhibited by feeding in a nutrient-dependent manner. PYY and leptin also reverse or prevent fasting-induced activation of the ARC. Interestingly, hypothalamic responses to fasting are blunted in different models of obesity (e.g. diet-induced obesity (DIO) or late-onset obesity). The AP also responds to feeding-related signals. The pancreatic hormone amylin acts via the AP to control energy intake. Amylin-sensitive AP neurons are also glucose-responsive. Furthermore, diet-derived protein attenuates amylin responsiveness suggesting a modulation of AP sensitivity by macronutrient supply. This review gives an overview of the receptive function of the ARC and the AP to hormonal and nutritional stimuli involved in the control of energy balance and the possible implications in the context of obesity. Collectively, there is consistency between the neurophysiological actions of these stimuli and their effects on energy homoeostasis under experimental conditions. However, surprisingly little progress has been made in the development of effective pharmacological approaches against obesity. A promising way to improve effectiveness involves combination treatments (e.g. amylin/leptin agonists). Hormonal alterations (e.g. GLP-1 and PYY) are also considered to mediate body weight loss observed in obese patients receiving bariatric surgery. The effects of hormonal and nutritional signals and their interactions might hold the potential to develop poly-mechanistic therapeutic strategies against obesity.

  7. Outcome Determining Factors for displaced Intra-articular Calcaneal Fractures treated operatively

    Directory of Open Access Journals (Sweden)

    Nawfar SA

    2015-11-01

    Full Text Available Introduction: Calcaneal fractures are caused by high energy trauma and mostly are intra-articular fractures. Nondisplaced intra-articular calcaneal fracture (IACF can be treated non-operatively. However, displaced intra-articular need to be reduced and fixed anatomically to facilitate early ankle rehabilitation and minimize functional impairment. This study was done to find out the outcome of the IACF patients who underwent operative treatment. Methods: 62 patients with IACF were selected in this study and had been followed up from June 2009 to May 2013. They were placed into two groups; the operative treated and non-operative treated groups. Bilateral ankle lateral view plain radiographs were taken for comparison of the Bohler and Gissane angles. Both groups of patients were assessed by the Maryland Foot Score (MFS and the SF-36v2 general health survey questionnaire. The ability of the patients to perform activity of daily living (ADL and /or return to work (RTW was assessed as well. Results: The operative treatment group of displaced IACF patients achieved no significant better scores in the mean MFS and SF-36v2 mean scores as compared to non operated cases. There was no difference in RTW between the 2 groups, but earlier ADL was recorded in the operated group. However, this study had found 5 associated factors which causes major effect to the patients’ outcome to treatment. Conclusions: The patient’s compliance with post-operative rehabilitation regimen were found to be significantly related with the outcomes

  8. Constraints on geothermal reservoir volume change calculations from InSAR surface displacements and injection and production data

    Science.gov (United States)

    Kaven, J. Ole; Barbour, Andrew J.; Ali, Tabrez

    2017-04-01

    Continual production of geothermal energy at times leads to significant surface displacement that can be observed in high spatial resolution using InSAR imagery. The surface displacement can be analyzed to resolve volume change within the reservoir revealing the often-complicated patterns of reservoir deformation. Simple point source models of reservoir deformation in a homogeneous elastic or poro-elastic medium can be superimposed to provide spatially varying, kinematic representations of reservoir deformation. In many cases, injection and production data are known in insufficient detail; but, when these are available, the same Green functions can be used to constrain the reservoir deformation. Here we outline how the injection and production data can be used to constrain bounds on the solution by posing the inversion as a quadratic programming with inequality constraints and regularization rather than a conventional least squares solution with regularization. We apply this method to InSAR-derived surface displacements at the Coso and Salton Sea Geothermal Fields in California, using publically available injection and production data. At both geothermal fields the available surface deformation in conjunction with the injection and production data permit robust solutions for the spatially varying reservoir deformation. The reservoir deformation pattern resulting from the constrained quadratic programming solution is more heterogeneous when compared to a conventional least squares solution. The increased heterogeneity is consistent with the known structural controls on heat and fluid transport in each geothermal reservoir.

  9. Alcohol mixed with energy drinks: Associations with risky drinking and functioning in high school.

    Science.gov (United States)

    Tucker, Joan S; Troxel, Wendy M; Ewing, Brett A; D'Amico, Elizabeth J

    2016-10-01

    Mixing alcohol with energy drinks is associated with heavier drinking and related problems among college students. However, little is known about how high school drinkers who mix alcohol with energy drinks (AmED) compare to those who do not (AwoED). This study compares high school AmED and AwoED users on their alcohol use during middle and high school, as well as key domains of functioning in high school. Two surveys were conducted three years apart in adolescents initially recruited from 16 middle schools in Southern California. The analytic sample consists of 696 past month drinkers. Multivariable models compared AmED and AwoED users on alcohol use, mental health, social functioning, academic orientation, delinquency and other substance use at age 17, and on their alcohol use and related cognitions at age 14. AmED was reported by 13% of past month drinkers. AmED and AwoED users did not differ on alcohol use or cognitions in middle school, but AmED users drank more often, more heavily, and reported more negative consequences in high school. AmED users were also more likely to report poor grades, delinquent behavior, substance use-related unsafe driving, public intoxication, and drug use than AwoED users in high school. Group differences were not found on mental health, social functioning, or academic aspirations. AmED use is common among high school drinkers. The higher risk behavioral profile of these young AmED users, which includes drug use and substance use-related unsafe driving, is a significant cause for concern and warrants further attention. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  10. Rectus Pulley Displacements without Abnormal Oblique Contractility Explain Strabismus in Superior Oblique Palsy.

    Science.gov (United States)

    Suh, Soh Youn; Le, Alan; Clark, Robert A; Demer, Joseph L

    2016-06-01

    . Rectus pulley displacements alone, without abnormal oblique muscle contractility, can create the clinical patterns of incomitant strabismus in SO palsy. This finding supports accumulating evidence that clinical binocular misalignment patterns are not reliable indicators of contractile function of the SO muscle. Ocular torsion does not correlate with and thus cannot account for pulley displacements in SO palsy. Copyright © 2016 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

  11. Feasibility study analysis for multi-function dual energy oven (case study: tapioca crackers small medium enterprise)

    Science.gov (United States)

    Soraya, N. W.; El Hadi, R. M.; Chumaidiyah, E.; Tripiawan, W.

    2017-12-01

    Conventional drying process is constrained by weather (cloudy / rainy), and requires wide drying area, and provides low-quality product. Multi-function dual energy oven is the appropriate technology to solve these problems. The oven uses solar thermal or gas heat for drying various type of products, including tapioca crackers. Investment analysis in technical, operational, and financial aspects show that the multi-function dual energy oven is feasible to be implemented for small medium enterprise (SME) processing tapioca crackers.

  12. Synthesis and application of functional branched macromolecules: From site isolation and energy harvesting to catalysis

    Science.gov (United States)

    Hecht, Stefan

    The symbiosis of our understanding of structure property relationships in many biological macromolecules and our increased ability to prepare large synthetic macromolecules with exquisite structural precision has generated a new area of research where chemistry and materials science join with biology. For example, numerous biological systems utilize the concept of site isolation whereby an active center or catalytic site is encapsulated, frequently within a protein, to afford properties that would not be encountered in the bulk state. The ability of a dendritic shell to encapsulate functional core moieties and to create specific site-isolated nanoenvironments, thereby affecting molecular properties, not only mimics natural systems but affords novel materials with unique characteristics. Furthermore, introduction of donor chromophores at periphery of dendrimers having a central acceptor dye enables spatial and spectral energy concentration at the core. Continuing the effort towards designing bio-inspired macromolecules, this dissertation describes the use of different polymer architectures to encapsulate active sites that have either photophysical, photochemical, or catalytic functions and the evaluation of site isolation using a variety of different techniques. While the first part is mainly concerned with different synthetic approaches towards site isolation of porphyrin moieties, the second part describes the design of light-driven catalytic systems incorporating both light harvesting and energy conversion. The fundamental knowledge that can be gleaned from such investigations has implications that range from the preliminary design of artificial enzymes to the construction of molecular-scale devices. After an overview of dendritically encapsulated functions (Chapter 1) and a brief account of a novel synthetic approach to benzene core dendrimers (Chapter 2), site isolation of porphyrin moieties within dendrimers, their linear structural isomers, and branched star

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

    Science.gov (United States)

    Hocine, Nora; Meignan, Michel; Masset, Hélène

    2018-02-27

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

  14. State-dependent metabolic partitioning and energy conservation: A theoretical framework for understanding the function of sleep.

    Science.gov (United States)

    Schmidt, Markus H; Swang, Theodore W; Hamilton, Ian M; Best, Janet A

    2017-01-01

    Metabolic rate reduction has been considered the mechanism by which sleep conserves energy, similar to torpor or hibernation. This mechanism of energy savings is in conflict with the known upregulation (compared to wake) of diverse functions during sleep and neglects a potential role in energy conservation for partitioning of biological operations by behavioral state. Indeed, energy savings as derived from state-dependent resource allocations have yet to be examined. A mathematical model is presented based on relative rates of energy deployment for biological processes upregulated during either wake or sleep. Using this model, energy savings from sleep-wake cycling over constant wakefulness is computed by comparing stable limit cycles for systems of differential equations. A primary objective is to compare potential energy savings derived from state-dependent metabolic partitioning versus metabolic rate reduction. Additionally, energy conservation from sleep quota and the circadian system are also quantified in relation to a continuous wake condition. As a function of metabolic partitioning, our calculations show that coupling of metabolic operations with behavioral state may provide comparatively greater energy savings than the measured decrease in metabolic rate, suggesting that actual energy savings derived from sleep may be more than 4-fold greater than previous estimates. A combination of state-dependent metabolic partitioning and modest metabolic rate reduction during sleep may enhance energy savings beyond what is achievable through metabolic partitioning alone; however, the relative contribution from metabolic partitioning diminishes as metabolic rate is decreased during the rest phase. Sleep quota and the circadian system further augment energy savings in the model. Finally, we propose that state-dependent resource allocation underpins both sleep homeostasis and the optimization of daily energy conservation across species. This new paradigm identifies an

  15. Design Principles of Functional Polymer Separators for High-Energy, Metal-Based Batteries.

    Science.gov (United States)

    Zhang, Weidong; Tu, Zhengyuan; Qian, Jiawei; Choudhury, Snehashis; Archer, Lynden A; Lu, Yingying

    2017-12-27

    Next-generation rechargeable batteries that offer high energy density, efficiency, and reversibility rely on cell configurations that enable synergistic operations of individual components. They must also address multiple emerging challenges,which include electrochemical stability, transport efficiency, safety, and active material loss. The perspective of this Review is that rational design of the polymeric separator, which is used widely in rechargeable batteries, provides a rich set of opportunities for new innovations that should enable batteries to meet many of these needs. This perspective is different from the conventional view of the polymer separator as an inert/passive unit in a battery, which has the sole function to prevent direct contact between electrically conductivecomponents that form the battery anode and cathode. Polymer separators, which serve as the core component in a battery, bridge the electrodes and the electrolyte with a large surface contact that can be utilized to apply desirable functions. This Review focuses specifically on recent advances in polymer separator systems, with a detailed analysis of several embedded functional agents that are incorporated to improve mechanical robustness, regulate ion and mass transport, and retard flammability. The discussion is also extended to new composite separator concepts that are designated traditionally as polymer/gel electrolytes. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. A Robust, Water-Based, Functional Binder Framework for High-Energy Lithium-Sulfur Batteries.

    Science.gov (United States)

    Lacey, Matthew J; Österlund, Viking; Bergfelt, Andreas; Jeschull, Fabian; Bowden, Tim; Brandell, Daniel

    2017-07-10

    We report here a water-based functional binder framework for the lithium-sulfur battery systems, based on the general combination of a polyether and an amide-containing polymer. These binders are applied to positive electrodes optimised towards high-energy electrochemical performance based only on commercially available materials. Electrodes with up to 4 mAh cm-2 capacity and 97-98 % coulombic efficiency are achievable in electrodes with a 65 % total sulfur content and a poly(ethylene oxide):poly(vinylpyrrolidone) (PEO:PVP) binder system. Exchange of either binder component for a different polymer with similar functionality preserves the high capacity and coulombic efficiency. The improvement in coulombic efficiency from the inclusion of the coordinating amide group was also observed in electrodes where pyrrolidone moieties were covalently grafted to the carbon black, indicating the role of this functionality in facilitating polysulfide adsorption to the electrode surface. The mechanical properties of the electrodes appear not to significantly influence sulfur utilisation or coulombic efficiency in the short term but rather determine retention of these properties over extended cycling. These results demonstrate the robustness of this very straightforward approach, as well as the considerable scope for designing binder materials with targeted properties. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Locating Temporal Functional Dynamics of Visual Short-Term Memory Binding using Graph Modular Dirichlet Energy

    Science.gov (United States)

    Smith, Keith; Ricaud, Benjamin; Shahid, Nauman; Rhodes, Stephen; Starr, John M.; Ibáñez, Augustin; Parra, Mario A.; Escudero, Javier; Vandergheynst, Pierre

    2017-02-01

    Visual short-term memory binding tasks are a promising early marker for Alzheimer’s disease (AD). To uncover functional deficits of AD in these tasks it is meaningful to first study unimpaired brain function. Electroencephalogram recordings were obtained from encoding and maintenance periods of tasks performed by healthy young volunteers. We probe the task’s transient physiological underpinnings by contrasting shape only (Shape) and shape-colour binding (Bind) conditions, displayed in the left and right sides of the screen, separately. Particularly, we introduce and implement a novel technique named Modular Dirichlet Energy (MDE) which allows robust and flexible analysis of the functional network with unprecedented temporal precision. We find that connectivity in the Bind condition is less integrated with the global network than in the Shape condition in occipital and frontal modules during the encoding period of the right screen condition. Using MDE we are able to discern driving effects in the occipital module between 100-140 ms, coinciding with the P100 visually evoked potential, followed by a driving effect in the frontal module between 140-180 ms, suggesting that the differences found constitute an information processing difference between these modules. This provides temporally precise information over a heterogeneous population in promising tasks for the detection of AD.

  18. A comparison of global optimization algorithms with standard benchmark functions and real-world applications using Energy Plus

    Energy Technology Data Exchange (ETDEWEB)

    Kamph, Jerome Henri; Robinson, Darren; Wetter, Michael

    2009-09-01

    There is an increasing interest in the use of computer algorithms to identify combinations of parameters which optimise the energy performance of buildings. For such problems, the objective function can be multi-modal and needs to be approximated numerically using building energy simulation programs. As these programs contain iterative solution algorithms, they introduce discontinuities in the numerical approximation to the objective function. Metaheuristics often work well for such problems, but their convergence to a global optimum cannot be established formally. Moreover, different algorithms tend to be suited to particular classes of optimization problems. To shed light on this issue we compared the performance of two metaheuristics, the hybrid CMA-ES/HDE and the hybrid PSO/HJ, in minimizing standard benchmark functions and real-world building energy optimization problems of varying complexity. From this we find that the CMA-ES/HDE performs well on more complex objective functions, but that the PSO/HJ more consistently identifies the global minimum for simpler objective functions. Both identified similar values in the objective functions arising from energy simulations, but with different combinations of model parameters. This may suggest that the objective function is multi-modal. The algorithms also correctly identified some non-intuitive parameter combinations that were caused by a simplified control sequence of the building energy system that does not represent actual practice, further reinforcing their utility.

  19. Exploring connections between statistical mechanics and Green's functions for realistic systems. Temperature dependent entropy and internal energy from a self-consistent second-order Green's function

    CERN Document Server

    Welden, Alicia Rae; Zgid, Dominika

    2016-01-01

    Including finite-temperature effects into electronic structure calculations of semiconductors and metals is frequently necessary, but can become cumbersome using zero-temperature methods, which require an explicit evaluation of excited states to extend the approach to finite-temperature. Using a Matsubara Green's function formalism, it is easy to include the effects of temperature and to connect dynamic quantities such as the self-energy with static thermodynamic quantities such as the Helmholtz energy, entropy, and internal energy. We evaluate the thermodynamic quantities with a self-consistent Green's function where the self-energy is approximated to second-order (GF2). To validate our method, we benchmark it against finite temperature full configuration interaction (FCI) calculations for a hydrogen fluoride (HF) molecule and find excellent agreement at high temperatures and very good agreement at low temperatures. Then, we proceed to evaluate thermodynamic quantities for a one-dimension hydrogen solid at v...

  20. Energy intake functions and energy budgets of ectotherms and endotherms derived from their ontogenetic growth in body mass and timing of sexual maturation.

    Science.gov (United States)

    Werner, Jan; Sfakianakis, Nikolaos; Rendall, Alan D; Griebeler, Eva Maria

    2018-05-07

    Ectothermic and endothermic vertebrates differ not only in their source of body temperature (environment vs. metabolism), but also in growth patterns, in timing of sexual maturation within life, and energy intake functions. Here, we present a mathematical model applicable to ectothermic and endothermic vertebrates. It is designed to test whether differences in the timing of sexual maturation within an animal's life (age at which sexual maturity is reached vs. longevity) together with its ontogenetic gain in body mass (growth curve) can predict the energy intake throughout the animal's life (food intake curve) and can explain differences in energy partitioning (between growth, reproduction, heat production and maintenance, with the latter subsuming any other additional task requiring energy) between ectothermic and endothermic vertebrates. With our model we calculated from the growth curves and ages at which species reached sexual maturity energy intake functions and energy partitioning for five ectothermic and seven endothermic vertebrate species. We show that our model produces energy intake patterns and distributions as observed in ectothermic and endothermic species. Our results comply consistently with some empirical studies that in endothermic species, like birds and mammals, energy is used for heat production instead of growth, and with a hypothesis on the evolution of endothermy in amniotes published by us before. Our model offers an explanation on known differences in absolute energy intake between ectothermic fish and reptiles and endothermic birds and mammals. From a mathematical perspective, the model comes in two equivalent formulations, a differential and an integral one. It is derived from a discrete level approach, and it is shown to be well-posed and to attain a unique solution for (almost) every parameter set. Numerically, the integral formulation of the model is considered as an inverse problem with unknown parameters that are estimated using a

  1. Concentration-dependent Sildenafil citrate (Viagra) effects on ROS production, energy status, and human sperm function.

    Science.gov (United States)

    Sousa, Maria Inês; Amaral, Sandra; Tavares, Renata Santos; Paiva, Carla; Ramalho-Santos, João

    2014-04-01

    Literature regarding the effects of sildenafil citrate on sperm function remains controversial. In the present study, we specifically wanted to determine if mitochondrial dysfunction, namely membrane potential, reactive oxygen species production, and changes in energy content, are involved in in vitro sildenafil-induced alterations of human sperm function. Sperm samples of healthy men were incubated in the presence of 0.03, 0.3, and 3 μM sildenafil citrate in a phosphate buffered saline (PBS)-based medium for 2, 3, 12, and 24 hours. Sperm motility and viability were evaluated and mitochondrial function, i.e., mitochondrial membrane potential and mitochondrial superoxide production were assessed using flow-cytometry. Additionally, adenosine triphosphate (ATP) levels were determined by high performance liquid chromatography (HPLC) analysis. Results show a decrease in sperm motility correlated with the level of mitochondria-generated superoxide, without a visible effect on mitochondrial membrane potential or viability upon exposure to sildenafil. The effect on both motility and superoxide production was higher for the intermediate concentration of sildenafil (0.3 µM) indicating that the in vitro effects of sildenafil on human sperm do not vary linearly with drug concentration. Adenosine triphosphate levels also decreased following sildenafil exposure, but this decrease was only detected after a decrease in motility was already evident. These results suggest that along with the level of ATP and mitochondrial function other factors are involved in the early sildenafil-mediated decline in sperm motility. However, the further decrease in ATP levels and increase in mitochondria-generated reactive oxygen species after 24 hours of exposure might further contribute towards declining sperm motility.

  2. Characterization of the Electron Energy Distribution Function in a Penning Discharge

    Science.gov (United States)

    Skoutnev, Valentin; Dourbal, Paul; Raitses, Yevgeny

    2017-10-01

    Slow and fast sweeping Langmuir probe diagnostics were implemented to measure the electron energy distribution function (EEDF) in a cross-field Penning discharge undergoing rotating spoke phenomenon. The EEDF was measured using the Druyvesteyn method. Rotating spoke occurs in a variety of ExB devices and is characterized primarily by azimuthal light, density, and potential fluctuations on the order of a few kHz, but is theoretically still not well understood. Characterization of a time-resolved EEDF of the spoke would be important for understanding physical mechanisms responsible for the spoke and its effects on Penning discharges, Hall thrusters, sputtering magnetrons, and other ExB devices. In this work, preliminary results of measurements of the EEDF using slow and fast Langmuir probes that sweep below and above the fundamental spoke frequency will be discussed. This work was supported by the Air Force Office of Scientific Research (AFOSR).

  3. Models of Hopfield-type quaternion neural networks and their energy functions.

    Science.gov (United States)

    Yoshida, Mitsuo; Kuroe, Yasuaki; Mori, Takehiro

    2005-01-01

    Recently models of neural networks that can directly deal with complex numbers, complex-valued neural networks, have been proposed and several studies on their abilities of information processing have been done. Furthermore models of neural networks that can deal with quaternion numbers, which is the extension of complex numbers, have also been proposed. However they are all multilayer quaternion neural networks. This paper proposes models of fully connected recurrent quaternion neural networks, Hopfield-type quaternion neural networks. Since quaternion numbers are non-commutative on multiplication, some different models can be considered. We investigate dynamics of these proposed models from the point of view of the existence of an energy function and derive their conditions for existence.

  4. Explicitly correlated frequency-independent second-order green's function for accurate ionization energies.

    Science.gov (United States)

    Ohnishi, Yu-Ya; Ten-No, Seiichiro

    2016-10-15

    Explicitly correlated second-order Green's function (GF2-F12) is presented and applied to polycyclic aromatic hydrocarbons (PAHs), oligothiophene, and porphyrins. GF2 suffers from slow convergence of orbital expansions as in the ordinary post Hartree-Fock methods in ab initio theory, albeit the method is capable of providing quantitatively accurate ionization energies (IE) near the complete basis set limit. This feature is significantly mitigated by introducing F12 terms of explicitly correlated electronic structure theory. It is demonstrated that GF2-F12 presents accurate IE with augmented triple-zeta quality of basis sets. The errors from experimental results are typically less than 0.15 eV for PAHs. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  5. Regulation of energy metabolism by the extracytoplasmic function (ECF σ factors of Arcobacter butzleri.

    Directory of Open Access Journals (Sweden)

    Irati Martinez-Malaxetxebarria

    Full Text Available The extracytoplasmic function (ECF σ factors are fundamental for bacterial adaptation to distinct environments and for survival under different stress conditions. The emerging pathogen Arcobacter butzleri possesses seven putative pairs of σ/anti-σ factors belonging to the ECF family. Here, we report the identification of the genes regulated by five out of the seven A. butzleri ECF σ factors. Three of the ECF σ factors play an apparent role in transport, energy generation and the maintenance of redox balance. Several genes like the nap, sox and tct genes are regulated by more than one ECF σ factor, indicating that the A. butzleri ECF σ factors form a network of overlapping regulons. In contrast to other eubacteria, these A. butzleri ECF regulons appear to primarily regulate responses to changing environments in order to meet metabolic needs instead of an obvious role in stress adaptation.

  6. Experimental determination of the effective point of measurement and the displacement correction factor for cylindrical ionization chambers in a 6 MV photon beam.

    Science.gov (United States)

    Legrand, C; Hartmann, G H; Karger, C P

    2012-11-07

    The displacement effect of cylindrical ionization chambers is taken into account either by an effective point of measurement (EPOM) or, alternatively, by using a displacement correction factor. The dependence of these effects on water was examined as a function of the cavity radius for (60)Co gamma radiation in a previous paper. This paper describes results for high-energy photon beams using the same measurement technique. Additionally, the displacement correction factor was directly measured. Absorbed doses measured under reference conditions following the international protocol IAEA TRS-398 and the German protocol DIN 6800-2 agreed well between the chambers with different cavity radii within a standard uncertainty of 0.2%. However, there was a constant difference of 0.2% between both protocols. Similar to our observations made in (60)Co, absorbed doses measured with the different chambers at depths beyond the maximum showed deviations of up to 0.6% and 0.5% for IAEA TRS-398 and DIN 6800-2, respectively, and deviations of more than 1% were found for both protocols in the build-up and maximum region. We therefore propose modified formulas for the determination of the EPOM and the displacement correction factor.

  7. Nutritional Improvement and Energy Intake Are Associated with Functional Recovery in Patients after Cerebrovascular Disorders.

    Science.gov (United States)

    Nii, Maria; Maeda, Keisuke; Wakabayashi, Hidetaka; Nishioka, Shinta; Tanaka, Atsuko

    2016-01-01

    Malnutrition affects the activities of daily living (ADLs) in convalescent patients with cerebrovascular disorders. We investigated the relationship between nutritional improvement, energy intake at admission, and recovery of ADLs. We evaluated 67 patients with cerebrovascular disorders admitted to our rehabilitation hospital between April 2013 and April 2015. These patients received interventions from the rehabilitation nutritional support team according to the following criteria: weight loss of 2 kg or more and body mass index of 19 kg/m(2) or lower. Exclusion criteria included a body mass index of 25 kg/m(2) or higher, duration of intervention of less than 14 days, or transfer to an acute care hospital because of clinical deterioration. We assessed nutritional status using the Geriatric Nutritional Risk Index (GNRI) and ADL using the Functional Independence Measure (FIM) score, FIM gain, and FIM efficiency. The mean age of the patients was 78.7 ± 8.0 years. The numbers of patients in each category of cerebrovascular disorder were 39 with cerebral infarction, 16 with intracerebral hemorrhage, 8 with subarachnoid hemorrhage, and 4 others. Compared with the counterpart group, the group with an improvement in GNRI had a greater gain in FIM (median 17 and 20, respectively; P = .036) and a higher FIM efficiency (.14 and .22, respectively; P = .020). Multivariate stepwise regression analysis showed that an improvement in GNRI, increasing energy intake at admission, and intracerebral hemorrhage were associated independently with greater FIM efficiency. This study suggested that nutritional improvement and energy intake at admission are associated with recovery of ADL after cerebrovascular disorders. Copyright © 2015 National Stroke Association. Published by Elsevier Inc. All rights reserved.

  8. Energy-containing beverages: reproductive hormones and ovarian function in the BioCycle Study.

    Science.gov (United States)

    Schliep, Karen C; Schisterman, Enrique F; Mumford, Sunni L; Pollack, Anna Z; Perkins, Neil J; Ye, Aijun; Zhang, Cuilin J; Stanford, Joseph B; Porucznik, Christina A; Hammoud, Ahmad O; Wactawski-Wende, Jean

    2013-03-01

    Energy-containing beverages are widely consumed among premenopausal women, but their association with reproductive hormones is not well understood. The objective was to assess the association of energy-containing beverages, added sugars, and total fructose intake with reproductive hormones among ovulatory cycles and sporadic anovulation in healthy premenopausal women. Women (n = 259) in the BioCycle Study were followed for up to 2 menstrual cycles; they provided fasting blood specimens during up to 8 visits/cycle and four 24-h dietary recalls/cycle. Women who consumed ≥1 cup (1 cup = 237 mL) sweetened soda/d had 16.3% higher estradiol concentrations compared with women who consumed less sweetened soda (86.5 pg/mL compared with 74.4 pg/mL, P = 0.01) after adjustment for age, BMI, race, dietary factors, and physical activity. Similarly elevated estradiol concentrations were found for ≥1 cup cola/d and noncola soda intake. Neither artificially sweetened soda nor fruit juice intake ≥1 cup/d was significantly associated with reproductive hormones. Added sugar above the average US woman's intake (≥73.2 g/d) or above the 66th percentile in total fructose intake (≥41.5 g/d) was associated with significantly elevated estradiol but not consistently across all models. No associations were found between beverages, added sugars, or total fructose intake and anovulation after multivariate adjustment. Even at moderate consumption amounts, sweetened soda is associated with elevated follicular estradiol concentrations among premenopausal women but does not appear to affect ovulatory function. Further research into the mechanism driving the association between energy-containing beverages and reproductive hormones, and its potential implications for women's health, is warranted.

  9. Energy-containing beverages: reproductive hormones and ovarian function in the BioCycle Study123

    Science.gov (United States)

    Schliep, Karen C; Mumford, Sunni L; Pollack, Anna Z; Perkins, Neil J; Ye, Aijun; Zhang, Cuilin J; Stanford, Joseph B; Porucznik, Christina A; Hammoud, Ahmad O; Wactawski-Wende, Jean

    2013-01-01

    Background: Energy-containing beverages are widely consumed among premenopausal women, but their association with reproductive hormones is not well understood. Objective: The objective was to assess the association of energy-containing beverages, added sugars, and total fructose intake with reproductive hormones among ovulatory cycles and sporadic anovulation in healthy premenopausal women. Design: Women (n = 259) in the BioCycle Study were followed for up to 2 menstrual cycles; they provided fasting blood specimens during up to 8 visits/cycle and four 24-h dietary recalls/cycle. Results: Women who consumed ≥1 cup (1 cup = 237 mL) sweetened soda/d had 16.3% higher estradiol concentrations compared with women who consumed less sweetened soda (86.5 pg/mL compared with 74.4 pg/mL, P = 0.01) after adjustment for age, BMI, race, dietary factors, and physical activity. Similarly elevated estradiol concentrations were found for ≥1 cup cola/d and noncola soda intake. Neither artificially sweetened soda nor fruit juice intake ≥1 cup/d was significantly associated with reproductive hormones. Added sugar above the average US woman's intake (≥73.2 g/d) or above the 66th percentile in total fructose intake (≥41.5 g/d) was associated with significantly elevated estradiol but not consistently across all models. No associations were found between beverages, added sugars, or total fructose intake and anovulation after multivariate adjustment. Conclusions: Even at moderate consumption amounts, sweetened soda is associated with elevated follicular estradiol concentrations among premenopausal women but does not appear to affect ovulatory function. Further research into the mechanism driving the association between energy-containing beverages and reproductive hormones, and its potential implications for women's health, is warranted. PMID:23364018

  10. Energy dependent charge spread function in a dedicated synchrotron beam pnCCD detector

    Energy Technology Data Exchange (ETDEWEB)

    Yousef, Hazem

    2011-05-20

    A scan on the pixel edges is the method which is used to resolve the electron cloud size in the pixel array of the pnCCD detector. The EDR synchrotron radiation in BESSY is the source of the X-ray photons which are used in the scans. The radius of the electron cloud as a function of the impinging photon energy is analyzed. The angle of incidence of the X-ray beam is employed in the measurements. The measurements are validated by the numerical simulation models. The inclined X-ray track leads to distribute the electron clouds in a certain number of pixels according to the incident angle of the X-ray beam. The pixels detect different electron clouds according to their generation position in the detector bulk. A collimated X-ray beam of 12.14 keV is used in the measurements with 30 and 40 entrance angles. It is shown that the two factors that leads to expand the electron clouds namely the diffusion and the mutual electrostatic repulsion can be separated from the measured electron clouds. It is noticed as well that the influence of the mutual electrostatic repulsion dominates the cloud expansion over the diffusion process in the collection time of the detector. The perpendicular X-ray track leads to determine the average radius of the electron cloud per photon energy. The results show that the size of the electron clouds (RMS) in the energy range of [5.0-21.6] keV is smaller than the pixel size. (orig.)

  11. Non-Maxwellian electron energy probability functions in the plume of a SPT-100 Hall thruster

    Science.gov (United States)

    Giono, G.; Gudmundsson, J. T.; Ivchenko, N.; Mazouffre, S.; Dannenmayer, K.; Loubère, D.; Popelier, L.; Merino, M.; Olentšenko, G.

    2018-01-01

    We present measurements of the electron density, the effective electron temperature, the plasma potential, and the electron energy probability function (EEPF) in the plume of a 1.5 kW-class SPT-100 Hall thruster, derived from cylindrical Langmuir probe measurements. The measurements were taken on the plume axis at distances between 550 and 1550 mm from the thruster exit plane, and at different angles from the plume axis at 550 mm for three operating points of the thruster, characterized by different discharge voltages and mass flow rates. The bulk of the electron population can be approximated as a Maxwellian distribution, but the measured distributions were seen to decline faster at higher energy. The measured EEPFs were best modelled with a general EEPF with an exponent α between 1.2 and 1.5, and their axial and angular characteristics were studied for the different operating points of the thruster. As a result, the exponent α from the fitted distribution was seen to be almost constant as a function of the axial distance along the plume, as well as across the angles. However, the exponent α was seen to be affected by the mass flow rate, suggesting a possible relationship with the collision rate, especially close to the thruster exit. The ratio of the specific heats, the γ factor, between the measured plasma parameters was found to be lower than the adiabatic value of 5/3 for each of the thruster settings, indicating the existence of non-trivial kinetic heat fluxes in the near collisionless plume. These results are intended to be used as input and/or testing properties for plume expansion models in further work.

  12. Effect of Red Bull energy drink on cardiovascular and renal function.

    Science.gov (United States)

    Ragsdale, Frances R; Gronli, Tyler D; Batool, Narjes; Haight, Nicole; Mehaffey, April; McMahon, Erin C; Nalli, Thomas W; Mannello, Carla M; Sell, Crystal J; McCann, Patrick J; Kastello, Gary M; Hooks, Tisha; Wilson, Ted

    2010-04-01

    Energy drink consumption has been anecdotally linked to the development of adverse cardiovascular effects in consumers, although clinical trials to support this link are lacking. The effects of Red Bull energy drink on cardiovascular and neurologic functions were examined in college-aged students enrolled at Winona State University. In a double-blind experiment where normal calorie and low calorie Red Bull were compared to normal and low calorie placebos, no changes in overall cardiovascular function nor blood glucose (mg/dL) were recorded in any participant (n = 68) throughout a 2-h test period. However, in the second experiment, nine male and twelve female participants subjected to a cold pressor test (CPT) before and after Red Bull consumption showed a significant increase in blood sugar levels pre- and post Red Bull consumption. There was a significant increase in diastolic blood pressure of the male volunteers immediately after submersion of the hand in the 5 degrees C water for the CPT. Under the influence of Red Bull, the increase in diastolic pressure for the male participants during the CPT was negated. There were no significant changes in the blood pressure of the female participants for the CPT with or without Red Bull. Finally, the CPT was used to evaluate pain threshold and pain tolerance before and after Red Bull consumption. Red Bull consumption was associated with a significant increase in pain tolerance in all participants. These findings suggest that Red Bull consumption ameliorates changes in blood pressure during stressful experiences and increases the participants' pain tolerance.

  13. A new Skyrme energy density functional for a better description of spin-isospin resonances

    Energy Technology Data Exchange (ETDEWEB)

    Roca-Maza, X., E-mail: xavier.roca.maza@mi.infn.it [Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy); Istituto Nazionale di Fisica Nucleare (INFN), Sez. di Milano, via Celoria 16, 20133 Milano (Italy); Colò, G. [Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy); Istituto Nazionale di Fisica Nucleare (INFN), Sez. di Milano, via Celoria 16, 20133 Milano (Italy); Kavli Institute for Theoretical Physics China, CAS, Beijing 100190 (China); Cao, Li-Gang [Kavli Institute for Theoretical Physics China, CAS, Beijing 100190 (China); School of Mathematics and Physics, North China Electric Power University, Beijing 102206 (China); State Key Laboratory of Theoretical Physics, ITP, Chinese Academy of Sciences, Beijing 100190 (China); National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou 730000 (China); Sagawa, H. [Kavli Institute for Theoretical Physics China, CAS, Beijing 100190 (China); Center for Mathematics and Physics, University of Aizu, Aizu-Wakamatsu, Fukushima 965-8580 (Japan); RIKEN, Nishina Center, Wako, 351-0198 (Japan)

    2015-10-15

    A correct determination of the isospin and spin-isospin properties of the nuclear effective interaction should lead to an accurate description of the Gamow-Teller resonance (GT), the Spin Dipole Resonance (SDR), the Giant Dipole Resonance (GDR) or the Antianalog Giant Dipole Resonance (AGDR), among others. A new Skyrme energy density functional named SAMi is introduced with the aim of going a step forward in setting the bases for a more precise description of spin-isospin resonances [1, 2]. In addition, we will discuss some new features of our analysis on the AGDR in {sup 208}Pb [3] as compared with available experimental data on this resonance [4, 5, 6], and on the GDR [7]. Such study, guided by a simple yet physical pocket formula, has been developed by employing the so called SAMi-J family of systematically varied interactions. This set of interactions is compatible with experimental data for values of the symmetry energy at saturation J and slope parameter L falling in the ranges 31−33 MeV and 75−95 MeV, respectively.

  14. Effects of Functional Oils on Coccidiosis and Apparent Metabolizable Energy in Broiler Chickens

    Science.gov (United States)

    Murakami, A. E.; Eyng, C.; Torrent, J.

    2014-01-01

    The objective of the present study was to investigate the effects of a mixture of functional oils (Essential, Oligo Basics Agroind. Ltda) on performance response of chickens challenged with coccidiosis and the determination of apparent metabolizable energy (AME), nitrogen-corrected apparent metabolizable energy (AMEn), the coefficients of protein and ether extract digestibility and intestinal morphology of broilers fed with diets containing Essential. In Exp. 1, a completely randomized design (CRD) was used, with one control diet without Essential inclusion with coccidiosis (Eimeria acervulina, Eimeria maxima, and Eimeria tenella) challenged birds and two different inclusion rates of Essential (1.5 kg/ton and 2 kg/ton) with coccidiosis-challenged and non-challenged birds for each inclusion rate, using 10 replicates and 50 birds per experimental unit. After 7 d of coccidiosis challenge, the livability was approximately 10% lower (pcoccidiosis challenge and during the first 7 d post infection. In Exp. 2, a CRD was used, with one control diet without Essential inclusion and one diet with inclusion of Essential (1.5 kg/ton), using nine replications and 33 chicks per pen. The diets with Essential yielded approximately 4% higher AME (p = 0.003) and AMEn (p = 0.001). Essential supplementation increased villus height in the jejunum on d 14 (pcoccidiosis in supplemented birds. PMID:25050040

  15. Integral equation for calculation of distribution function of activation energy of shear viscosity.

    Science.gov (United States)

    Gun'ko, V M; Goncharuk, E V; Nechypor, O V; Pakhovchishin, S V; Turov, V V

    2006-12-01

    A new technique of calculation of a distribution function of activation energy (f(E)) of shear viscosity based on a regularization procedure applied to the Fredholm integral equation of the first kind has been developed using the Baxter-Drayton and Brady model for concentrated and flocculated suspensions. This technique has been applied to the rheological data obtained at different shear rates for aqueous suspensions with fumed silica A-300 and low-molecular (3,4,5-trihydroxybenzoic acid and 1,5-dioxynaphthalene) or high-molecular (poly(vinyl pyrrolidone) of 12.7 kDa and ossein of 20-29 kDa) compounds over a wide concentration range (up to 25 wt% of both components) and at different temperatures. Monomodal f(E) distributions are observed for the suspensions with individual A-300 or A-300 with a low amount of adsorbed organics. In the case of larger amounts of nanosilica and organics the f(E) distributions are multimodal because of stronger structurization and coagulation of the systems that require a high energy to break the coagulation structures resisting to the shear flow.

  16. AMP-Activated Protein Kinase Connects Cellular Energy Metabolism to KATP Channel Function

    Science.gov (United States)

    Yoshida, Hidetada; Bao, Li; Kefalogianni, Eirini; Taskin, Eylem; Okorie, Uzoma; Hong, Miyoun; Dhar-Chowdhury, Piyali; Kaneko, Michiyo; Coetzee, William A.

    2011-01-01

    AMPK is an important sensor of cellular energy levels. Objective The aim of these studies was to investigate whether cardiac KATP channels, which couple cellular energy metabolism to membrane excitability, are regulated by AMPK activity. Research Design and Methods We investigated effects of AMPK on rat ventricular KATP channels using electrophysiological and biochemical approaches Results Whole-cell KATP channel current was activated by metabolic inhibition; this occurred more rapidly in the presence of AICAR (an AMPK activator). AICAR had no effects on KATP channel activity recorded in the inside-out patch clamp configuration, but ZMP (the intracellular intermediate of AICAR) strongly activated KATP channels. An AMPK-mediated effect is demonstrated by the finding that ZMP had no effect on KATP channels in the presence of Compound C (an AMPK inhibitor). Recombinant AMPK activated Kir6.2/SUR2A channels in a manner that was dependent on the AMP concentration, whereas heat-inactivated AMPK was without effect. Using mass-spectrometry and co-immunoprecipitation approaches, we demonstrate that the AMPK α-subunit physically associates with KATP channel subunits. Conclusions Our data demonstrate that the cardiac KATP channel function is directly regulated by AMPK activation. During metabolic stress, a small change in cellular AMP that activates AMPK can be a potential trigger for KATP channel opening. PMID:21888913

  17. Control over Structure and Function of Peptide Amphiphile Supramolecular Assemblies through Molecular Design and Energy Landscapes

    Science.gov (United States)

    Tantakitti, Faifan

    Supramolecular chemistry is a powerful tool to create a material of a defined structure with tunable properties. This strategy has led to catalytically active, bioactive, and environment-responsive materials, among others, that are valuable in applications ranging from sensor technology to energy and medicine. Supramolecular polymers formed by peptide amphiphiles (PAs) have been especially relevant in tissue regeneration due to their ability to form biocompatible structures and mimic many important signaling molecules in biology. These supramolecular polymers can form nanofibers that create networks which mimic natural extracellular matrices. PA materials have been shown to induce growth of blood vessels, bone, cartilage, and nervous tissue, among others. The work described in this thesis not only studied the relationship between molecular structure and functions of PA assemblies, but also uncovered a powerful link between the energy landscape of their supramolecular self-assembly and the ability of PA materials to interact with cells. In chapter 2, it is argued that fabricating fibrous nanostructures with defined mechanical properties and decoration with bioactive molecules is not sufficient to create a material that can effectively communicate with cells. By systemically placing the fibronectin-derived RGDS epitope at increasing distances from the surface of PA nanofibers through a linker of one to five glycine residues, integrin-mediated RGDS signaling was enhanced. The results suggested that the spatial presentation of an epitope on PA nanofibers strongly influences the bioactivity of the PA substrates. In further improving functionality of a PA-based scaffold to effectively direct cell growth and differentiation, chapter 3 explored the use of a cell microcarrier to compartmentalize and simultaneously tune insoluble and soluble signals in a single matrix. PA nanofibers were incorporated at the surface of the microcarrier in order to promote cell adhesion, while

  18. Effects of the Red Bull energy drink on cognitive function and mood in healthy young volunteers.

    Science.gov (United States)

    Wesnes, Keith A; Brooker, Helen; Watson, Anthony W; Bal, Wendy; Okello, Edward

    2017-02-01

    The present study compared the cognitive and mood effects of two commercially available products, Red Bull energy drink 250 mL and Red Bull Sugarfree energy drink 250 mL, together with a matching placebo 250 mL. Twenty-four healthy young volunteers took part in a randomised, placebo controlled, double-blind, three-way cross-over study. Cognitive function was assessed using an integrated set of nine computerised tests of attention, working and episodic memory. On each study day the volunteers received a standardised breakfast prior to completing a baseline performance on cognitive tests and mood scales, followed by the consumption of the study drink. The cognitive tests and scales were then re-administered at 30, 60 and 90 min post-dose. Red Bull was found to produce significant improvements over both the Sugarfree version and the placebo drink on two composite scores from the six working and episodic memory tests; one combining the 12 accuracy measures from the six tasks and the other the average speed of correct responses from the working memory and episodic recognition memory tasks. These improvements were in the range of a medium effect size, which reflects a substantial enhancement to memory in young volunteers.

  19. Growth, metabolic status and ovarian function in buffalo (Bubalus bubalis) heifers fed a low energy or high energy diet.

    Science.gov (United States)

    Campanile, G; Baruselli, P S; Vecchio, D; Prandi, A; Neglia, G; Carvalho, N A T; Sales, J N S; Gasparrini, B; D'Occhio, M J

    2010-10-01

    The aim was to establish the capacity of buffalo heifers to adapt their metabolic requirements to a low energy diet. Murrah buffalo (Bubalus bubalis) heifers undergoing regular estrous cycles were randomly assigned by age, live weight (LW) and body condition score (BCS) to a high energy group (HE, 5.8 milk forage units (MFU)/day, n=6) or low energy group (LE, 3.6 MFU/day, n=6). Circulating concentrations of metabolic substrates, metabolic hormones and reproductive hormones were determined weekly for 19 weeks. Ovarian follicular characteristics and oocyte parameters were also ascertained weekly. Heifers fed the LE diet had a better dry matter conversion than heifers fed the HE diet and the calculated daily energy provision was negative for heifers fed the LE diet (-0.248 MFU) and positive for heifers fed the HE diet (5.4 MFU). Heifers fed the HE diet had an increase in 50 kg LW over the duration of the study whereas LW remained constant for heifers fed the LE diet. The BCS of heifers fed the HE diet (4.2) was greater (Prequirements when dietary energy is limiting. This adaptive capacity would explain why buffaloes remain productive in environments that are limiting to other ruminants. Copyright © 2010 Elsevier B.V. All rights reserved.

  20. High-displacement spiral piezoelectric actuators

    Science.gov (United States)

    Mohammadi, F.; Kholkin, A. L.; Jadidian, B.; Safari, A.

    1999-10-01

    A high-displacement piezoelectric actuator, employing spiral geometry of a curved piezoelectric strip is described. The monolithic actuators are fabricated using a layered manufacturing technique, fused deposition of ceramics, which is capable of prototyping electroceramic components with complex shapes. The spiral actuators (2-3 cm in diameter) consisted of 4-5 turns of a lead zirconate titanate ceramic strip with an effective length up to 28 cm. The width was varied from 0.9 to 1.75 mm with a height of 3 mm. When driven by the electric field applied across the width of the spiral wall, the tip of the actuator was found to displace in both radial and tangential directions. The tangential displacement of the tip was about 210 μm under the field of 5 kV/cm. Both the displacement and resonant frequency of the spirals could be tailored by changing the effective length and wall width. The blocking force of the actuator in tangential direction was about 1 N under the field of 5 kV/cm. These properties are advantageous for high-displacement low-force applications where bimorph or monomorph actuators are currently employed.

  1. Validity of Ski Skating Center-of-Mass Displacement Measured by a Single Inertial Measurement Unit.

    Science.gov (United States)

    Myklebust, Håvard; Gløersen, Øyvind; Hallén, Jostein

    2015-12-01

    In regard to simplifying motion analysis and estimating center of mass (COM) in ski skating, this study addressed 3 main questions concerning the use of inertial measurement units (IMU): (1) How accurately can a single IMU estimate displacement of os sacrum (S1) on a person during ski skating? (2) Does incorporating gyroscope and accelerometer data increase accuracy and precision? (3) Moreover, how accurately does S1 determine COM displacement? Six world-class skiers roller-ski skated on a treadmill using 2 different subtechniques. An IMU including accelerometers alone (IMU-A) or in combination with gyroscopes (IMU-G) were mounted on the S1. A reflective marker at S1, and COM calculated from 3D full-body optical analysis, were used to provide reference values. IMU-A provided an accurate and precise estimate of vertical S1 displacement, but IMU-G was required to attain accuracy and precision of < 8 mm (root-mean-squared error and range of displacement deviation) in all directions and with both subtechniques. Further, arm and torso movements affected COM, but not the S1. Hence, S1 displacement was valid for estimating sideways COM displacement, but the systematic amplitude and timing difference between S1 and COM displacement in the anteroposterior and vertical directions inhibits exact calculation of energy fluctuations.

  2. Ion energy distribution function in the wall layer at a negative wall potential with respect to the plasma

    Science.gov (United States)

    Sukhomlinov, Vladimir S.; Mustafaev, Alexander S.; Murillo, Oskar

    2018-01-01

    On the basis of the kinetic approach, the self-consistent problem of the gas discharge ion distribution function in the sheath near a surface at a negative potential with respect to the plasma is solved. For the first time, the solution takes into account the dependence of the ion charge exchange cross section from the atom on the ion energy, as well as the real ion distribution function in the unperturbed plasma. It is shown that the dependence of the charge exchange cross section on the ion energy significantly affects the shape of the ion distribution function. It is found that the mean energy of the ions near the wall depends on the electron mean energy in the unperturbed plasma. It was also found that, at the same electron mean energy, the form of the distribution function has practically no effect on the ion distribution function in the wall sheath. The calculations are in good agreement with the known mass spectrometric measurements of the ion distribution function. The obtained results give an opportunity to develop a self-consistent solution of the wall layer structure problem including the quasi-neutral presheath.

  3. Excitation function measurements and integral yields estimation for {sup nat}Zn(p,x) reactions at low energies

    Energy Technology Data Exchange (ETDEWEB)

    Al-Saleh, F.S. [Physics Department, Girls College of Education in Riyadh, P.O. Box 27329, Riyadh 11417 (Saudi Arabia)], E-mail: ferdoasalsaleh@hotmail.com; Al Mugren, K.S. [Physics Department, Girls College of Education in Riyadh, P.O. Box 27329, Riyadh 11417 (Saudi Arabia); Azzam, A. [Nuclear Physics Department, Nuclear Research Center, AEA, Cairo (Egypt)

    2007-10-15

    Excitation functions have been measured for a number of proton-induced nuclear reactions on natural zinc in the energy range from 27.5 MeV down to their threshold energy, using the activation method on stacked foils. Excitation functions and thick target yield for the reactions leading to the formation of {sup 67}Ga,{sup 66}Ga,{sup 68}Ga,{sup 62}Zn and {sup 65}Zn are presented and compared with earlier reported experimental data. The experimental cross-sections and the production yields are tabulated; the excitation functions and the thick target yield curves are plotted in graphs.

  4. Unique selectivity windows using selective displacers/eluents and mobile phase modifiers on hydroxyapatite.

    Science.gov (United States)

    Morrison, Christopher J; Gagnon, Pete; Cramer, Steven M

    2010-10-15

    A detailed study was carried out to combine the unique selectivity of ceramic hydroxyapatite (CHA) with the separation power of selective displacement chromatography. A robotic liquid handling system was employed to carry out a parallel batch screen on a displacer library made up of analogous compounds. By incorporating positively charged, metal chelating and/or hydrogen bonding groups into the design of the displacer, specific interaction sites on CHA were targeted, thus augmenting the selectivity of the separation. The effect of different mobile phase modifiers, such as phosphate, sulfate, lactate and borate, were also investigated. Important functional group moieties and trends for the design of CHA displacers were established. Selective batch separations were achieved between multiple protein pairs which were unable to be resolved using linear gradient techniques, demonstrating the applicability of this technique to multiple protein systems. The specific interaction moieties used on the selective displacer were found to dictate which protein was selectively displaced in the separation, a degree of control not possible using a mono-interaction type resin in displacement chromatography. Mobile phase modifiers were also shown to play a crucial role, augmenting the selectivity of a displacer in a synergistic fashion. Column separations were carried out using selective displacers and mobile phase modifiers identified in the batch experiments, and baseline separation of the previously unresolved protein pairs was achieved. Further, the elution order in these systems was able to be reversed while still maintaining baseline separations. This work establishes a new class of separations which combine the selectivities of multi-modal resins, displacers/eluents, and mobile phase modifiers to create unique selectivity windows unattainable using traditional modes of operation. Copyright © 2010 Elsevier B.V. All rights reserved.

  5. Ring-shaped velocity distribution functions in energy-dispersed structures formed at the boundaries of a proton stream injected into a transverse magnetic field: Test-kinetic results

    CERN Document Server

    Voitcu, Gabriel

    2016-01-01

    In this paper, we discuss the formation of ring-shaped and gyro-phase restricted velocity distribution functions (VDFs) at the edges of a cloud of protons injected into non-uniform distributions of the electromagnetic field. The velocity distribution function is reconstructed using the forward test-kinetic method. We consider two profiles of the electric field: (1) a non-uniform E-field obtained by solving the Laplace equation consistent with the conservation of the electric drift and (2) a constant and uniform E-field. In both cases, the magnetic field is similar to the solutions obtained for tangential discontinuities. The initial velocity distribution function is Liouville mapped along numerically integrated trajectories. The numerical results show the formation of an energy-dispersed structure due to the energy-dependent displacement of protons towards the edges of the cloud by the gradient-B drift. Another direct effect of the gradient-B drift is the formation of ring-shaped velocity distribution functio...

  6. Strategies for the design of functional MOFs: addressing energy-intensive separations

    KAUST Repository

    Eddaoudi, Mohamed

    2017-12-19

    Metal Organic Frameworks (MOFs) are a promising class of crystalline solid-state materials amenable to tailoring their porosity and functionality towards various applications. MOF reticular chemistry using the Molecular Building Block (MBB) approach offers potential to construct robust made-to-order MOFs, where desired structural and geometrical information are incorporated into the building blocks prior to the assembly process. We will discuss two recently implemented conceptual approaches facilitating the design and deliberate construction of metal–organic frameworks (MOFs), namely supermolecular building block (SBB) and supermolecular building layer (SBL) approaches. Additionally, the concept of net-coded building units (net-cBUs), where precise embedded geometrical information codes uniquely and matchlessly a selected net, as a compelling route for the rational design of MOFs will be presented. Our progress in the development of functional metal-organic frameworks (MOFs) to address some energy-intensive separations will be discussed. Namely, the successful practice of reticular chemistry affording the fabrication of various stable MOFs with controlled pore-aperture size and allowing effective separation of various gas or vapors pairs.

  7. Softwarization of Mobile Network Functions towards Agile and Energy Efficient 5G Architectures: A Survey

    Directory of Open Access Journals (Sweden)

    Dlamini Thembelihle

    2017-01-01

    Full Text Available Future mobile networks (MNs are required to be flexible with minimal infrastructure complexity, unlike current ones that rely on proprietary network elements to offer their services. Moreover, they are expected to make use of renewable energy to decrease their carbon footprint and of virtualization technologies for improved adaptability and flexibility, thus resulting in green and self-organized systems. In this article, we discuss the application of software defined networking (SDN and network function virtualization (NFV technologies towards softwarization of the mobile network functions, taking into account different architectural proposals. In addition, we elaborate on whether mobile edge computing (MEC, a new architectural concept that uses NFV techniques, can enhance communication in 5G cellular networks, reducing latency due to its proximity deployment. Besides discussing existing techniques, expounding their pros and cons and comparing state-of-the-art architectural proposals, we examine the role of machine learning and data mining tools, analyzing their use within fully SDN- and NFV-enabled mobile systems. Finally, we outline the challenges and the open issues related to evolved packet core (EPC and MEC architectures.

  8. Importance of material parameters and strain energy function on the wall stresses in the left ventricle.

    Science.gov (United States)

    Behdadfar, Sareh; Navarro, Laurent; Sundnes, Joakim; Maleckar, Molly M; Avril, Stéphane

    2017-08-01

    Patient-specific estimates of the stress distribution in the left ventricles (LV) may have important applications for therapy planning, but computing the stress generally requires knowledge of the material behaviour. The passive stress-strain relation of myocardial tissue has been characterized by a number of models, but material parameters (MPs) remain difficult to estimate. The aim of this study is to implement a zero-pressure algorithm to reconstruct numerically the stress distribution in the LV without precise knowledge of MPs. We investigate the sensitivity of the stress distribution to variations in the different sets of constitutive parameters. We show that the sensitivity of the LV stresses to MPs can be marginal for an isotropic constitutive model. However, when using a transversely isotropic exponential strain energy function, the LV stresses become sensitive to MPs, especially to the linear elastic coefficient before the exponential function. This indicates that in-vivo identification efforts should focus mostly on this MP for the development of patient-specific finite-element analysis.

  9. Influence of using nanoobjects as filler on functionality-based energy use of nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Roes, A. L., E-mail: a.l.roes@uu.nl; Tabak, L. B.; Shen, L.; Nieuwlaar, E.; Patel, M. K. [Utrecht University, Copernicus Institute, Department of Science, Technology and Society (Netherlands)

    2010-08-15

    The goal of our study was to investigate the potential benefits of reinforcing polymer matrices with nanoobjects for structural applications by looking at both the mechanical properties and environmental impacts. For determining the mechanical properties, we applied the material indices defined by Ashby for stiffness and strength. For the calculation of environmental impacts, we applied the life cycle assessment methodology, focusing on non-renewable energy use (NREU). NREU has shown to be a good indicator also for other environmental impacts. We then divided the NREU by the appropriate Ashby index to obtain the 'functionality-based NREU'. We studied 23 different nanocomposites, based on thermoplastic and thermosetting polymer matrices and organophilic montmorillonite, silica, carbon nanotubes (single-walled and multiwalled) and calcium carbonate as filler. For 17 of these, we saw a decrease of the functionality-based NREU with increasing filler content. We draw the conclusion that the use of nanoobjects as filler can have benefits from both an environmental point of view and with respect to mechanical properties.

  10. Performance of displacement ventilation in practice

    DEFF Research Database (Denmark)

    Naidenov, K.; Pitchurov, G.; Langkilde, Gunnar

    2002-01-01

    This paper presents results of a field study in offices with displacement ventilation. It comprises detailed physical measurements of the thermal environment and collection of occupants´ response at 227 workplaces. The results, both physical measurements and human response, identified draught...... as the major local discomfort in the rooms with displacement ventilation. Twenty-three percent of the occupants were daily bothered by draught. In some buildings the maintenance personnel tried to improve occupants´ thermal comfort by raising the supply air temperature or office workers themselves blocked...... the diffusers by rearranging the furniture. Half of the surveyed occupants were not satisfied with the indoor air quality. The main conclusion is that displacement ventilation needs careful design and room furnishing in order to ensure a comfortable environment. Occupants must understand the underlying...

  11. Overtreatment of displaced midshaft clavicle fractures

    DEFF Research Database (Denmark)

    Ban, Ilija; Nowak, Jan; Virtanen, Kaisa

    2016-01-01

    Background and purpose - The best treatment for displaced clavicle fractures has been debated for decades. Operative treatment has become more common. However, several randomized trials comparing non-operative and operative treatment have not shown any compelling evidence in favor of surgery. We...... identified the preferred treatment of displaced midshaft clavicle fractures at public hospitals in 3 countries in Scandinavia. Patients and methods - A purpose-made multiple-choice questionnaire in English was sent to all public hospitals in Denmark, Sweden, and Finland. This was addressed to the orthopedic...... surgeon responsible for treatment of clavicle fractures, and completed questionnaires were obtained from 85 of 118 hospitals. Results - In the 3 countries, 69 of the 85 hospitals that responded would treat displaced clavicle fractures operatively. Clear criteria for treatment allocation were used at 58...

  12. Characterization of the dose perturbation by stents as a function of X-ray beam energy.

    Science.gov (United States)

    Schell, M C; Rosenzweig, D P; Weaver, K A; Fenton, B M; Rubin, P

    1999-01-01

    -rays adjacent to the stent are complicated by the lack of charged particle equilibrium. There is a limited but definite increase in the dose delivery to the arterial wall when stents are irradiated with orthovoltage x-ray energies. This increase may explain the negative response in other studies. The presence of the stent does perturb the character and magnitude of the dose in the normal arterial wall as a function of beam quality.

  13. Activation energy of etching for CR-39 as a function of linear energy transfer of the incident particles

    CERN Document Server

    Awad, E M

    1999-01-01

    In this work, we have studied the effect of the radiation damage caused by the incident particles on the activation energy of etching for CR-39 samples. The damage produced by the incident particle is expressed in terms of the linear energy transfer (LET). CR-39 samples from American Acrylic were irradiated to three different LET particles. These are N (LET sub 2 sub 0 sub 0 = 20 KeV/mu m) as a light particle, Fe (LET sub 2 sub 0 sub 0 = 110 KeV/mu m) as a medium particle and fission fragments (ff) from a sup 2 sup 5 sup 2 Cf source as heavy particles. In general the bulk etch rate was calculated using the weight difference method and the track etch rate was determined using the track geometry at various temperatures (50-90 deg. C) and concentrations (4-9 N) of the NaOH etchant. The average activation energy E sub b related to the bulk etch rate v sub b was calculated from 1n v sub b vs. 1/T. The average activation energy E sub t related to the track etch rate v sub t was estimated from 1n v sub t vs. 1/T. It...

  14. The probability density function of energy loss for an electron by bremsstrahlung radiation in a thickness of a target

    Science.gov (United States)

    Kia, Mohammad Reza

    2017-10-01

    The probability density function (PDF) of energy loss for an electron by bremsstrahlung radiation in a thickness of a target is obtained by solving the collision term of the Boltzmann equation for the Bethe-Heitler differential cross section. It is demonstrated that the values of the energy loss for an electron by bremsstrahlung radiation will be important in order to calculate the total energy loss when the amount of screening from the atomic electrons becomes important. In this case, a stochastic equation based on the electron energy and the target properties is derived to calculate the energy loss of an electron by bremsstrahlung radiation in a thickness of a target. The results obtained from this analysis are in good agreement with the experimental data and the folding theory for the PDFs of total energy loss for an electron at a certain depth of a target reported in the literature.

  15. [Understanding and treatment strategy for disc displacement of temporomandibular disorders].

    Science.gov (United States)

    Ma, X C

    2017-03-09

    Understanding and treatment strategy for disc displacement of temporomandibular disorders (TMD) were discussed in the present review. It has been strongly recommended by the author that the treatment strategy for disc displacement, one subtype of TMD, should be mainly the reversible conservative treatment methods. The most important goal of treatment for disc displacement is to recover the mobility and function of the joint in order to improve the quality of the patient's life. Comprehensive assessments both from somatic and psychological aspects for each TMD patient are necessary, especially for the patients with chronic pain. Although the role of surgical operative treatments is very limited in the general treatment strategy for TMD, it is still important for a few patients who had definite diagnosis of intra-articular disorders, severe symptoms affecting the quality of patient's life and failed to response to the correct conservative treatments. It should be very careful to treat the TMD patients by surgical operation or irreversible occlusion treatments changing the natural denture of the patient, such as full mouth occlusional reconstruction and extensive adjustment of occlusion.

  16. Bucket Foundation Response Under Various Displacement Rates

    DEFF Research Database (Denmark)

    Vaitkunaite, Evelina; Nielsen, Benjaminn Nordahl; Ibsen, Lars Bo

    2016-01-01

    The present testing program aims at showing the pore pressure response around a bucket foundation skirt as well as the load and displacement change due to ten different displacement rates. Research findings are useful for a numerical model calibration focusing on the design of the upwind foundation...... in a multi-bucket foundation system. The foundation model is at a scale of approximately 1:20 prototype foundation size. The tests are performed in a pressure tank with the foundation model installed in dense sand. Based on the data, the conclusion is that the bucket foundation design in a storm case should...

  17. Passive Smoking in a Displacement Ventilated Room

    DEFF Research Database (Denmark)

    Bjørn, Erik; Nielsen, Peter V.

    The aim of this research is to see if the displacement ventilation principle can protect a person from exposure to passive tobacco smoking. This is done by full-scale experiments with two breathing thermal manikins, smoke visualisations, and tracer gas measurements. In some situations, exhaled...... smoke will stratify in a certain height due to the vertical temperature gradient. This horizontal layer of exhaled tobacco smoke may lead to exposure. In other situations, the smoke is mixed into the upper zone, and the passive smoker is protected to some extent by the displacement principle...

  18. Electron energy distribution function, effective electron temperature, and dust charge in the temporal afterglow of a plasma

    Energy Technology Data Exchange (ETDEWEB)

    Denysenko, I. B.; Azarenkov, N. A. [School of Physics and Technology, V. N. Karazin Kharkiv National University, Svobody sq. 4, 61022 Kharkiv (Ukraine); Kersten, H. [Institut für Experimentelle und Angewandte Physik, Leibnizstr. 19, Kiel D-24098 (Germany)

    2016-05-15

    Analytical expressions describing the variation of electron energy distribution function (EEDF) in an afterglow of a plasma are obtained. Especially, the case when the electron energy loss is mainly due to momentum-transfer electron-neutral collisions is considered. The study is carried out for different EEDFs in the steady state, including Maxwellian and Druyvesteyn distributions. The analytical results are not only obtained for the case when the rate for momentum-transfer electron-neutral collisions is independent on electron energy but also for the case when the collisions are a power function of electron energy. Using analytical expressions for the EEDF, the effective electron temperature and charge of the dust particles, which are assumed to be present in plasma, are calculated for different afterglow durations. An analytical expression for the rate describing collection of electrons by dust particles for the case when the rate for momentum-transfer electron-neutral collisions is independent on electron energy is also derived. The EEDF profile and, as a result, the effective electron temperature and dust charge are sufficiently different in the cases when the rate for momentum-transfer electron-neutral collisions is independent on electron energy and when the rate is a power function of electron energy.

  19. Effect of softening function on the cohesive crack fracture ...

    Indian Academy of Sciences (India)

    biuidA +. ∫. AP φ(w)dA. (1). Where, W = the strain energy density function defined in the body, εij = strain field,. Fi = the body force, ui = an admissible displacement field for the system, bi = boundary force distribution defined in the part of boundary AT . The potential φ can be defined for any given cohesive law σ = f (w) as:.

  20. 40 CFR 86.419-2006 - Engine displacement, motorcycle classes.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Engine displacement, motorcycle... displacement, motorcycle classes. (a)(1) Engine displacement shall be calculated using nominal engine values... reference in § 86.1). (2) For rotary engines, displacement means the maximum volume of a combustion chamber...

  1. Calculation of partition functions and free energies of a binary mixture using the energy partitioning method: application to carbon dioxide and methane.

    Science.gov (United States)

    Do, Hainam; Hirst, Jonathan D; Wheatley, Richard J

    2012-04-19

    It is challenging to compute the partition function (Q) for systems with enormous configurational spaces, such as fluids. Recently, we developed a Monte Carlo technique (an energy partitioning method) for computing Q [ J. Chem. Phys. 2011 , 135 , 174105 ]. In this paper, we use this approach to compute the partition function of a binary fluid mixture (carbon dioxide + methane); this allows us to obtain the Helmholtz free energy (F) via F = -k(B)T ln Q and the Gibbs free energy (G) via G = F + pV. We then utilize G to obtain the coexisting mole fraction curves. The chemical potential of each species is also obtained. At the vapor-liquid equilibrium condition, the chemical potential of methane significantly increases, while that of carbon dioxide slightly decreases, as the pressure increases along an isotherm. Since Q is obtained from the density of states, which is independent of the temperature, equilibrium thermodynamic properties at any condition can be obtained by varying the total composition and volume of the system. Our methodology can be adapted to explore the free energies of other binary mixtures in general and of those containing CO(2) in particular. Since the method gives access to the free energy and chemical potentials, it will be useful in many other applications.

  2. Mechanical properties of composites as functions of the syringe storage temperature and energy dose.

    Science.gov (United States)

    Chaves, Fernanda Oliveira; Farias, Natália Coelho de; Medeiros, Luciano Marcelo de Mello; Alonso, Roberta Caroline Bruschi; Di Hipólito, Vinicius; D'Alpino, Paulo Henrique Perlatti

    2015-01-01

    To investigate the mechanical properties of different classifications of composites indicated for posterior application as functions of the storage condition and of the energy dose. Specimens (8 x 2 x 2 mm) were obtained according to the factors: I) Composites (3M ESPE): Filtek P60, Filtek Z350XT, and Filtek Silorane; II) Syringe storage conditions: room temperature, aged, oven, refrigerator, and freezer; and III) Energy dose: 24 J/cm(2) and 48 J/cm(2). After photoactivation, the specimens were stored at 37 ºC for 24 h. After storage, a three-point bending test was carried out in a universal testing machine at 0.5 mm/min. Flexural strength (S) and flexural modulus (E) were calculated. Data were analyzed by three-way ANOVA and Tukey's test (α = 0.05). Different storage conditions significantly affected the silorane composite for S; conversely, no effects were noted in terms of E. The accelerated aging protocol significantly increased the S of Filtek P60 and Filtek Silorane, whereas storage in the oven significantly decreased the S for all of the composites tested. Filtek P60 was the only composite not affected by the lower storage temperatures tested for S, whereas for the silorane this parameter was impacted at the same conditions. The factor "dose" was not statistically significant. The syringe storage at different temperature conditions proved to influence mostly the flexural strength, a clinically important characteristic considering the posterior indication of the materials tested. The silorane composite should not be stored at lower temperatures.

  3. Mechanical properties of composites as functions of the syringe storage temperature and energy dose

    Directory of Open Access Journals (Sweden)

    Fernanda Oliveira CHAVES

    2015-04-01

    Full Text Available Objective: To investigate the mechanical properties of different classifications of composites indicated for posterior application as functions of the storage condition and of the energy dose. Material and Methods: Specimens (8x2x2 mm were obtained according to the factors: I Composites (3M ESPE: Filtek P60, Filtek Z350XT, and Filtek Silorane; II Syringe storage conditions: room temperature, aged, oven, refrigerator, and freezer; and III Energy dose: 24 J/cm2 and 48 J/cm2. After photoactivation, the specimens were stored at 37ºC for 24 h. After storage, a three-point bending test was carried out in a universal testing machine at 0.5 mm/min. Flexural strength (S and flexural modulus (E were calculated. Data were analyzed by three-way ANOVA and Tukey's test (α=0.05. Results: Different storage conditions significantly affected the silorane composite for S; conversely, no effects were noted in terms of E. The accelerated aging protocol significantly increased the S of Filtek P60 and Filtek Silorane, whereas storage in the oven significantly decreased the S for all of the composites tested. Filtek P60 was the only composite not affected by the lower storage temperatures tested for S, whereas for the silorane this parameter was impacted at the same conditions. The factor "dose" was not statistically significant. Conclusions: The syringe storage at different temperature conditions proved to influence mostly the flexural strength, a clinically important characteristic considering the posterior indication of the materials tested. The silorane composite should not be stored at lower temperatures.

  4. Analysis of displacement damage and defect production under cascade damage conditions

    DEFF Research Database (Denmark)

    Zinkle, S.J.; Singh, B.N.

    1993-01-01

    The production, annihilation, and accumulation of point defects in metals during displacive irradiation is dependent on a variety of physical conditions, including the nature and energy of the projectile particles and the irradiation temperature. This paper briefly reviews the evolution of the de......The production, annihilation, and accumulation of point defects in metals during displacive irradiation is dependent on a variety of physical conditions, including the nature and energy of the projectile particles and the irradiation temperature. This paper briefly reviews the evolution...

  5. Sleep quality among internally displaced Georgian adolescents and population-based controls.

    Science.gov (United States)

    Sakhelashvili, Irine; Eliozishvili, Marine; Lortkipanidze, Nani; Oniani, Nikoloz; Cervena, Katerina; Darchia, Nato

    2016-09-01

    Sleep problems in children and adolescents are a significant public health concern and may be linked to a variety of psychoemotional difficulties. This study aimed to evaluate sleep quality and associated factors in conflict-affected Georgian adolescents after 9 months of forced displacement. Thirty-three internally displaced adolescents (mean age 11.4 years) and 33 adolescents (mean age 10.8 years) from the general population completed the Epworth Sleepiness Scale and the Children's Depression Inventory (CDI). Parents completed the Children's Sleep-Wake Scale and provided information on their socioeconomic status (SES) and the adolescents' sleep behavior, academic performance, and peer social relationships. The groups differed significantly in sleep quality, peer relationships, SES, and CDI scores. In the internally displaced group, the only significant predictor of sleep quality was SES, which increased the predictive capacity of the model (demographic and psychosocial variables) by 20% in the hierarchical analyses. The most significant predictor in the non-internally displaced group was CDI. This research indicates that displacement may affect sleep quality and psychosocial functioning. The importance of family SES as a contributing factor to displaced adolescents' poor sleep quality is highlighted. An integrated approach designed to improve the psychosocial environment of internally displaced adolescents is needed for their protection. © The Author(s) 2015.

  6. Evaluation of pulmonary function using single-breath-hold dual-energy computed tomography with xenon

    Science.gov (United States)

    Kyoyama, Hiroyuki; Hirata, Yusuke; Kikuchi, Satoshi; Sakai, Kosuke; Saito, Yuriko; Mikami, Shintaro; Moriyama, Gaku; Yanagita, Hisami; Watanabe, Wataru; Otani, Katharina; Honda, Norinari; Uematsu, Kazutsugu

    2017-01-01

    Abstract Xenon-enhanced dual-energy computed tomography (xenon-enhanced CT) can provide lung ventilation maps that may be useful for assessing structural and functional abnormalities of the lung. Xenon-enhanced CT has been performed using a multiple-breath-hold technique during xenon washout. We recently developed xenon-enhanced CT using a single-breath-hold technique to assess ventilation. We sought to evaluate whether xenon-enhanced CT using a single-breath-hold technique correlates with pulmonary function testing (PFT) results. Twenty-six patients, including 11 chronic obstructive pulmonary disease (COPD) patients, underwent xenon-enhanced CT and PFT. Three of the COPD patients underwent xenon-enhanced CT before and after bronchodilator treatment. Images from xenon-CT were obtained by dual-source CT during a breath-hold after a single vital-capacity inspiration of a xenon–oxygen gas mixture. Image postprocessing by 3-material decomposition generated conventional CT and xenon-enhanced images. Low-attenuation areas on xenon images matched low-attenuation areas on conventional CT in 21 cases but matched normal-attenuation areas in 5 cases. Volumes of Hounsfield unit (HU) histograms of xenon images correlated moderately and highly with vital capacity (VC) and total lung capacity (TLC), respectively (r = 0.68 and 0.85). Means and modes of histograms weakly correlated with VC (r = 0.39 and 0.38), moderately with forced expiratory volume in 1 second (FEV1) (r = 0.59 and 0.56), weakly with the ratio of FEV1 to FVC (r = 0.46 and 0.42), and moderately with the ratio of FEV1 to its predicted value (r = 0.64 and 0.60). Mode and volume of histograms increased in 2 COPD patients after the improvement of FEV1 with bronchodilators. Inhalation of xenon gas caused no adverse effects. Xenon-enhanced CT using a single-breath-hold technique depicted functional abnormalities not detectable on thin-slice CT. Mode, mean, and volume of HU histograms of xenon images

  7. The impact of fatigue and energy on work functioning and impairment in patients with major depressive disorder treated with desvenlafaxine.

    Science.gov (United States)

    Sarfati, David; Evans, Vanessa C; Tam, Edwin M; Woo, Cindy; Iverson, Grant L; Yatham, Lakshmi N; Lam, Raymond W

    2017-11-01

    Fatigue and low energy are cardinal symptoms of major depressive disorder (MDD) that have an impact on work functioning. Antidepressants with noradrenergic activity have been hypothesized to improve symptoms of fatigue and low energy. We examined the impact of these symptoms on work functioning in patients with MDD treated with the serotonin and noradrenaline reuptake inhibitor, desvenlafaxine. A secondary analysis was carried out from a study of employed adult outpatients (n=35) with MDD and subjective cognitive complaints treated with desvenlafaxine 50-100 mg/day for 8 weeks. Multiple regression analyses modeled improvement in work functioning measures (Lam Employment Absence and Productivity Scale, Health and Work Performance Questionnaire, Sheehan Disability Scale) with measures of fatigue (Patient-Reported Outcomes Measurement Information System Fatigue scale and 20-item Hopkins Symptom Check List Energy scale). Patients showed a significant improvement in Montgomery-Åsberg Depression Rating Scale scores as well as in fatigue and work functioning measures following treatment. Fatigue measures were significantly associated with improvement in some (Lam Employment Absence and Productivity Scale, Sheehan Disability Scale), but not all (Health and Work Performance Questionnaire) work functioning measures, independent of improvement in overall depressive symptoms. The limitations of this study include the small sample size and the lack of a placebo or a comparison group. Fatigue and low energy are important symptoms that are associated with occupational impairment in MDD. Treatments that improve these symptoms are likely to improve work functioning.

  8. An evaluation of exchange-correlation functionals for the calculations of the ionization energies for atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Segala, Maximiliano [Universidade Estadual do Rio Grande do Sul, Rua Oscar Matzembacher 475, 96760-000, Tapes, RS (Brazil); Chong, Delano P. [Department of Chemistry, 2036 Main Mall, University of British Columbia, Vancouver, B.C., V6T 1Z1 (Canada)], E-mail: chong@chem.ubc.ca

    2009-04-15

    In this paper, ionization energies of gas-phase atoms and molecules are calculated by energy-difference method and by approximate transition-state models with density functional theory (DFT). To determine the best functionals for ionization energies, we first study the H to Ar atoms. An approximation is used in which the electron density is first obtained from Kohn-Sham computations with an exchange-correlation potential V{sub xc} known as statistical average of orbital potentials (SAOP), after which the energy is computed from that density with 59 different exchange-correlation energy functionals E{sub xc}. For the 18 atoms, the best E{sub xc} functional providing an average absolute deviation (AAD) of only 0.110 eV is one known as the Krieger-Chen-Iafrate-Savin functional modified by Krieger, Chen, Iafrate, and Kurth, if one uses the spin-polarized spherical atom description. On the other hand, if one imposes the condition of integer-electrons, the best functional is the Becke 1997 functional modified by Wilson, Bradley, and Tozer, with an AAD of 0.107 eV, while several other functionals perform almost as well. For molecules, we can achieve an accuracy of AAD = 0.21 eV for valence VIPs of nonperhalo molecules with {delta}E(V{sub xc} = SAOP;PBE0) using integer-electron description. For perhalo molecules our best approach is {delta}E(V{sub xc} from either E{sub xc} or SAOP;mPW1PW) with full symmetry to obtain an AAD = 0.24 eV.

  9. Displacing Media: LCD LAB Artistic Residency

    Directory of Open Access Journals (Sweden)

    Filipe Pais

    2012-12-01

    Full Text Available This review refers to an artistic residency which took place at LCD LAB -  CAAA at Guimarães, in March, exploring a strategy for media art called Media Displacement. The text introduces the strategy very briefly and describes the residency's organization, structure, processses and the results produced.

  10. Education: protecting the rights of displaced children

    Directory of Open Access Journals (Sweden)

    Suba Mahalingam

    2002-10-01

    Full Text Available UNICEF and its partners work with displaced communitiesto provide material assistance and protection, using as their basis the UN Convention on the Rights of the Child1 and other internationallegal instruments. Education has proven a valuable tool in this effort, not only making children aware of their rights but also providing a way to participate in the realisation of these rights.

  11. Displacement Damage in Bipolar Linear Integrated Circuits

    Science.gov (United States)

    Rax, B. G.; Johnston, A. H.; Miyahira, T.

    2000-01-01

    Although many different processes can be used to manufacture linear integrated circuits, the process that is used for most circuits is optimized for high voltage -- a total power supply voltage of about 40 V -- and low cost. This process, which has changed little during the last twenty years, uses lateral and substrate p-n-p transistors. These p-n-p transistors have very wide base regions, increasing their sensitivity to displacement damage from electrons and protons. Although displacement damage effects can be easily treated for individual transistors, the net effect on linear circuits can be far more complex because circuit operation often depends on the interaction of several internal transistors. Note also that some circuits are made with more advanced processes with much narrower base widths. Devices fabricated with these newer processes are not expected to be significantly affected by displacement damage for proton fluences below 1 x 10(exp 12) p/sq cm. This paper discusses displacement damage in linear integrated circuits with more complex failure modes than those exhibited by simpler devices, such as the LM111 comparator, where the dominant response mode is gain degradation of the input transistor. Some circuits fail catastrophically at much lower equivalent total dose levels compared to tests with gamma rays. The device works satisfactorily up to nearly 1 Mrad(Si) when it is irradiated with gamma rays, but fails catastrophically between 50 and 70 krad(Si) when it is irradiated with protons.

  12. Public policy to address displacement in Mexico

    Directory of Open Access Journals (Sweden)

    José Ramón Cossío Díaz

    2014-11-01

    Full Text Available At hearings of the Inter-American Commission on Human Rights in November 2013 on the human rights situation in Mexico, the issue of the internally displaced in particular caught my attention, both due to its current serious level and for its potential impact in the not too distant future.

  13. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    Keywords. Atomic displacements; crystal defects; crystalline solids. PACS Nos 63.43.j; 63.43.Dq; 61.66.Dk; 61.72.Ji. 1. Introduction. The transition metal dilute alloys are studied for their unique properties such as high strength ...... Even the recent techniques like EXAFS are inadequate for bcc alloys because in the EXAFS ...

  14. Comb-drive actuators for large displacements

    NARCIS (Netherlands)

    Legtenberg, Rob; Legtenberg, R.; Groeneveld, A.W.; Elwenspoek, Michael Curt

    The design, fabrication and experimental results of lateral-comb-drive actuators for large displacements at low driving voltages is presented. A comparison of several suspension designs is given, and the lateral large deflection behaviour of clamped-clamped beams and a folded flexure design is

  15. Isolated Displaced Fracture of the Lesser Tuberosity

    African Journals Online (AJOL)

    Injury Extra. 2006;37:31-3. 4. Collier SG, Wynn-Jones CH. Displacement of the biceps with subscapularis avulsion. J Bone Joint. Surg Br. 1990;72:145. 5. Ogawa K, Takahashi M. Long-term outcome of isolated lesser tuberosity fractures of the humerus. J Trauma. 1997;42:955-9. 6. Robinson CM, Teoh KH, Baker A, et al.

  16. Displacement Ventilation by Different Types of Diffusers

    DEFF Research Database (Denmark)

    Nielsen, Peter V.; Hoff, Lars; Pedersen, Lars Germann

    The paper describes measuring results of the air movement from three different types of diffusers for displacement ventilation. Two of the diffusers are lowlevel wall mounted diffusers, one with a low and one with a high initial entrainment. The third diffuser is of the floor mounted type....

  17. Simulating People Moving in Displacement Ventilated Rooms

    DEFF Research Database (Denmark)

    Mattsson, M.; Bjørn, Erik; Sandberg, M.

    A displacement ventilation system works better the more uni-directional the air flow through the ventilated room is: from floor to ceiling. Thus, from an air quality point of view, there should be as little vertical mixing of the room air as possible. It is therefore comprehensible that physical...

  18. Olympic scale of sport-induced displacement

    Directory of Open Access Journals (Sweden)

    Jean du Plessis

    2007-07-01

    Full Text Available The Olympic Games have displaced more than two million people in the last 20 years, disproportionately affecting particular groups such as the homeless, the poor, Roma and African-Americans. Mega-events such as the Olympic Games often leave a negative housing legacy for local populations.

  19. Olympic scale of sport-induced displacement

    OpenAIRE

    Jean du Plessis

    2007-01-01

    The Olympic Games have displaced more than two million people in the last 20 years, disproportionately affecting particular groups such as the homeless, the poor, Roma and African-Americans. Mega-events such as the Olympic Games often leave a negative housing legacy for local populations.

  20. A Personal Appearance Program for Displaced Homemakers.

    Science.gov (United States)

    Fiore, Ann Marie; De Long, Marilyn Revell

    1990-01-01

    A career counseling program evaluated the self-esteem of 28 displaced homemakers, then presented 3 sessions on the importance of personal appearance in hiring practices, wardrobe management, nonverbal communication, professional image, and self-concept. Analysis of participant evaluations indicated improved levels of control and confidence and…