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Sample records for realistic interatomic interaction

  1. Inter-atomic interaction between electrons, 2

    International Nuclear Information System (INIS)

    Haga, Eijiro; Kato, Tomohiko; Aisaka, Tsuyoshi.

    1978-01-01

    Intra- and inter-atomic interactions in the exchange process are defined with respect to the Wannier function rather than the atomic function. In relation to the neutron scattering data for nickel, the behavior for the effective exchange parameter I(q) in the q-dependent susceptibility is, in RPA, investigated by taking into account the main types of the nearest neighbor interactions and by extending our previous treatment. The different types of interactions lead to different behavior for the q-dependence of I(q). The contribution to I(q) from inter-atomic interactions other than the exchange type decreases as the surface area of the Fermi surface becomes large. For the exchange type, the l-th neighbor interaction with l<=4 is taken into account, and, from the comparison with the empirical result for I(q), it is found that the inter-atomic contribution to I(0) is about thirty percent with a reasonable decrease against l. (author)

  2. Orientational anharmonicity of interatomic interaction in cubic monocrystals

    International Nuclear Information System (INIS)

    Belomestnykh, Vladimir N.; Tesleva, Elena P.

    2010-01-01

    Anharmonicity of interatomic interaction from a position of physical acoustics under the standard conditions is investigated. It is shown that the measure of anharmonicity of interatomic interaction (Grilneisen parameter) is explicitly expressed through velocities of sound. Calculation results of orientation anharmonicity are shown on the example of 116 cubic monocrystals with different lattice structural type and type of chemical bond. Two types of anharmonicity interatomic interaction anisotropy are determined. Keywords: acoustics, orientational anharmonicity, Gruneisen parameter, velocity of sound

  3. Interatomic interactions in the effective medium theory

    International Nuclear Information System (INIS)

    Jacobsen, K.W.; Puska, M.J.

    1986-08-01

    An expression is derived for the total energy of a system of interacting atoms based on an ansatz for the total electron density of the system as a superposition of atom densities taken from calculations for the atoms embedded in a homogeneous electron gas. This leads to an expression for the interaction energy in terms of the embedding energy of the atoms in a homogeneous electron gas, and corrections accounting for instance for the d-d hybridization in the transition metals. The density of the homogeneous electron gas is chosen as the average of the density from the surrounding atoms. Due to the variational property of the total energy functional the errors in the interaction energy is second order in the deviation of the ansatz density from the true ground state values. The applicability of the approach is illustrated by calculations of the chohesive properties of some simple metals and all the 3d transition metals. The interaction energy can be expressed in a form simple enough to allow calculations for low symmetry systems and will be very well suited for simulations of time dependent and finite temperature problems. Preliminary results for the phonon dispersion relations and the surface energies and relaxations for Al are used to illustrate the versatility of the approach. The division of the total energy into a density dependent part, an electrostatic 'pair potential' part, and a hybridization part provides a very simple way of understanding a number of these phenomena. (orig.)

  4. Eutectic composite NiAl-Cr properties modeling based on interatomic interaction forces

    Science.gov (United States)

    Badamshin, I. Kh

    2018-03-01

    For new materials, information on the elasticity and strength characteristics necessary for calculating the stress-strain state of the turbine blades is limited. In these conditions, there is a need for theoretical methods for calculating the elastic and strength characteristics. The proposed theoretical methods are based on forces of interatomic interaction calculation. The classical methods based on the hypothesis of continuity do not allow calculating the material strength and thermophysical properties.

  5. Interatomic interaction of additive elements and their influence on the processes in the double metal solutions

    Directory of Open Access Journals (Sweden)

    Марина Анатоліівна Рябікіна

    2016-07-01

    Full Text Available Modern industry uses a lot of elements as additives to improve the service characteristics of metal products that are to be used for various purposes. These elements can be divided into two groups: the first group includes the elements interacting with iron and improving its characteristics (alloying elements, and the second group includes the elements, that modify the characteristics of the structure and properties in an undesirable direction. These are trace elements: S, P, O, As, and others in steel. The negative impact of these elements shows itself as banding, the formation of non-metallic inclusions, flakes, grain boundary segregations et al. The influence of the elements of the both groups on the properties of steel depends on the nature and level of interatomic interaction in the alloy. Computational and analytical study of the major impurity elements in steel impact on the interatomic bond strength and the probability of forming complexes, clusters, and chemical compounds with the basic alloying elements in the steel has been carried out in the work. The theoretical parameter which defines the strength of the ion-covalent bond of two atoms: non-metallic – metallic is the electronegativity of elements. The electronegativity difference of the metal and non-metallic elements increasing, the ionic bonding and thermodynamic stability of these compounds  increase. On the other hand, concentration of valent electrons is a universal characteristic of an atomic element which determines many of its properties, and especially the energy of interatomic interaction. Energy calculations of pairwise interatomic impurity elements: H, C, N, S, P, As interaction with Fe and major alloying elements in steel: Mn, Cr, Si, V, Al, Ti, W, Cu, Mo, Nb were made. It has been stated that all the impurity elements except phosphorus, hydrogen and arsenic have sufficient high adhesion with the majority of the metal elements in the modern steels. Phosphorus does

  6. A general transformation to canonical form for potentials in pairwise interatomic interactions.

    Science.gov (United States)

    Walton, Jay R; Rivera-Rivera, Luis A; Lucchese, Robert R; Bevan, John W

    2015-06-14

    A generalized formulation of explicit force-based transformations is introduced to investigate the concept of a canonical potential in both fundamental chemical and intermolecular bonding. Different classes of representative ground electronic state pairwise interatomic interactions are referenced to a chosen canonical potential illustrating application of such transformations. Specifically, accurately determined potentials of the diatomic molecules H2, H2(+), HF, LiH, argon dimer, and one-dimensional dissociative coordinates in Ar-HBr, OC-HF, and OC-Cl2 are investigated throughout their bound potentials. Advantages of the current formulation for accurately evaluating equilibrium dissociation energies and a fundamentally different unified perspective on nature of intermolecular interactions will be emphasized. In particular, this canonical approach has significance to previous assertions that there is no very fundamental distinction between van der Waals bonding and covalent bonding or for that matter hydrogen and halogen bonds.

  7. Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions.

    Science.gov (United States)

    Cheng, Szu-Cheng; Jheng, Shih-Da

    2016-08-22

    This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coherent states and exists periodically in the physical space. This lattice is called a von Neumann lattice, and when it possesses a single vortex per unit cell, it presents the same geometrical structure as an Abrikosov lattice. In this report, we extend the von Neumann lattice to one with an integral number of flux quanta per unit cell and demonstrate that von Neumann lattices well reproduce the translational properties of bubble crystals. Numerical simulations confirm that, as a generalized vortex, a von Neumann lattice can be physically realized using vortex lattices in rapidly rotating Bose gases with dipole interatomic interactions.

  8. Concerning the theory of radiation cascades of atomic collisions in a solid with an arbitrary interatomic interaction potential

    International Nuclear Information System (INIS)

    Ryazanov, A.I.; Metelkin, E.V.

    1980-01-01

    Cascades of atomic collisions created by high energy particles as a result of irradiation of solids by them are considered. The solution of the problem is based on the investigation of the Boltzmann stationary kinetic equation for moving atoms. For this equation a model scattering indicatrix is constructed with an arbitrary form of the potential of interaction of moving atoms with lattice atoms. The choice of the model scattering indicatrix of atoms is determined by the normalization, the average energy loss in a single collision and by the deviation of the energy losses really occurring in the collision from the mean value, as well as by the initial kinetic equation for moving atoms. The energy distribution of moving atoms for arbitrary interatomic interaction potentials has been obtained using the constructed model scattering indicatrix. On the basis of the theory constructed a cascade is calculated with an interatomic interaction potential in the form of the Thomas-Fermi potential and the power potential. (author)

  9. Operator representation for effective realistic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Dennis; Feldmeier, Hans; Neff, Thomas [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany)

    2013-07-01

    We present a method to derive an operator representation from the partial wave matrix elements of effective realistic nucleon-nucleon potentials. This method allows to employ modern effective interactions, which are mostly given in matrix element representation, also in nuclear many-body methods requiring explicitly the operator representation, for example ''Fermionic Molecular Dynamics'' (FMD). We present results for the operator representation of effective interactions obtained from the Argonne V18 potential with the Uenitary Correlation Operator Method'' (UCOM) and the ''Similarity Renormalization Group'' (SRG). Moreover, the operator representation allows a better insight in the nonlocal structure of the potential: While the UCOM transformed potential only shows a quadratic momentum dependence, the momentum dependence of SRG transformed potentials is beyond such a simple polynomial form.

  10. Quantum dynamics of a BEC interacting with a single-mode quantized field in the presence of interatom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Ghasemian, E. [Atomic and Molecular Group, Faculty of Physics, Yazd University, Yazd (Iran, Islamic Republic of); Tavassoly, M.K., E-mail: mktavassoly@yazd.ac.ir [Atomic and Molecular Group, Faculty of Physics, Yazd University, Yazd (Iran, Islamic Republic of); Photonics Research Group, Engineering Research Center, Yazd University, Yazd (Iran, Islamic Republic of); The Laboratory of Quantum Information Processing, Yazd University, Yazd (Iran, Islamic Republic of)

    2016-09-23

    In this paper, we consider a model in which N two-level atoms in a Bose–Einstein condensate (BEC) interact with a single-mode quantized laser field. Our goal is to investigate the quantum dynamics of atoms in the BEC in the presence of interatom interactions. To achieve the purpose, at first, using the collective angular momentum operators, we try to reduce the dynamical Hamiltonian of the system to a well-known Jaynes–Cummings like model (JCM). We also use the Dicke model to construct the state of atomic subsystem, by which the analytical solution of the system may be obtained. Then, we analyze the atomic population inversion, the degree of entanglement between the “atoms in BEC” and the “field” as well as the Mandel parameter. Numerical results show that, the atomic population inversion, atom-field entanglement and quantum statistics of photons are very sensitive to the evolved parameters in the model (and so can be well-adjusted), such as the number of atoms in BEC, the intensity of initial field, the interatom coupling constant and detuning. To investigate the entanglement properties, we pay attention to the entropy and linear entropy. It is shown that, oscillations in the two entropy criteria may be seen, with some maxima of entanglement at some moments of time. Finally, looking for the quantum statistics, we evaluate the Mandel parameter, by which we demonstrate the sub-Poissonian statistics and so the nonclassical characteristics of the field state of system. Collapse-revival phenomenon, which is a distinguishable nonclassical characteristic of the system, can be apparently observed in the atomic population inversion and the Mandel parameter. - Highlights: • N two-level atoms in a BEC interacting with a laser field in the presence of interatom interactions is considered. • The atomic population inversion, degree of entanglement between the “atoms in BEC” and the “field” and the Mandel parameter are investigated. • Collapse

  11. Iterated interactions method. Realistic NN potential

    International Nuclear Information System (INIS)

    Gorbatov, A.M.; Skopich, V.L.; Kolganova, E.A.

    1991-01-01

    The method of iterated potential is tested in the case of realistic fermionic systems. As a base for comparison calculations of the 16 O system (using various versions of realistic NN potentials) by means of the angular potential-function method as well as operators of pairing correlation were used. The convergence of genealogical series is studied for the central Malfliet-Tjon potential. In addition the mathematical technique of microscopical calculations is improved: new equations for correlators in odd states are suggested and the technique of leading terms was applied for the first time to calculations of heavy p-shell nuclei in the basis of angular potential functions

  12. Realistic effective interactions for nuclear systems

    International Nuclear Information System (INIS)

    Hjort-Jensen, M.; Osnes, E.; Kuo, T.T.S.

    1994-09-01

    A review of perturbative many-body descriptions of several nuclear systems is presented. Symmetric and asymmetric nuclear matter and finite nuclei with few valence particles are examples of systems considered. The many-body description starts with the most recent meson-exchange potential models for the nucleon-nucleon interaction, an interaction which in turn is used in perturbative schemes to evaluate the effective interaction for finite nuclei and infinite nuclear matter. A unified perturbative approach based on time-dependent perturbation theory is elaborated. For finite nuclei new results are presented for the effective interaction and the energy spectra in the mass areas of oxygen, calcium and tin. 166 refs., 83 refs., 21 tabs

  13. Pairing properties of realistic effective interactions

    Directory of Open Access Journals (Sweden)

    Gargano A.

    2016-01-01

    Full Text Available We investigate the pairing properties of an effective shell-model interaction defined within a model space outside 132Sn and derived by means of perturbation theory from the CD-Bonn free nucleon-nucleon potential. It turns out that the neutron pairing component of the effective interaction is significantly weaker than the proton one, which accounts for the large pairing gap difference observed in the two-valence identical particle nuclei 134Sn and 134Te. The role of the contribution arising from one particle-one hole excitations in determining the pairing force is discussed and its microscopic structure is also analyzed in terms of the multipole decomposition.

  14. Interatomic inelastic current

    DEFF Research Database (Denmark)

    Hansen, Tim; Solomon, Gemma C.; Hansen, Thorsten

    2017-01-01

    In order to identify the location of an inelastic event and to distinguish between situations that are before or after this event, we derive equations for the interatomic inelastic transmission as a perturbation series in the electron-phonon interaction. This series contains both even and odd...... to second order and the 1st order correction represents the lowest order term of this new family of terms. We apply this to three model systems and are able to distinguish between situations before and after the inelastic event as steps in the 2nd order transmission. We also see that when the transmission...

  15. Handbook of interatomic potentials

    International Nuclear Information System (INIS)

    Stoneham, A.M.; Taylor, R.

    1981-08-01

    This Handbook collects together interatomic potentials for a large number of metals. Most of the potentials describe the interactions of host metal atoms with each other, and these, in some cases, may be applied to solid and liquid metals. In addition, there are potentials (a) for a metallic impurity alloyed with the host, (b) for a small number of chemical impurities in the metal (eg H, O), and (c) for rare-gas impurities, notably He. The Handbook is intended to be a convenient source of potentials for bulk, surface and defect calculations, both static and dynamic. (author)

  16. Coupled-resonator waveguide perfect transport single-photon by interatomic dipole-dipole interaction

    Science.gov (United States)

    Yan, Guo-an; Lu, Hua; Qiao, Hao-xue; Chen, Ai-xi; Wu, Wan-qing

    2018-06-01

    We theoretically investigate single-photon coherent transport in a one-dimensional coupled-resonator waveguide coupled to two quantum emitters with dipole-dipole interactions. The numerical simulations demonstrate that the transmission spectrum of the photon depends on the two atoms dipole-dipole interactions and the photon-atom couplings. The dipole-dipole interactions may change the dip positions in the spectra and the coupling strength may broaden the frequency band width in the transmission spectrum. We further demonstrate that the typical transmission spectra split into two dips due to the dipole-dipole interactions. This phenomenon may be used to manufacture new quantum waveguide devices.

  17. Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions

    OpenAIRE

    Cheng, Szu-Cheng; Jheng, Shih-Da

    2016-01-01

    This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coh...

  18. From interatomic interaction potentials via Einstein field equation techniques to time dependent contact mechanics

    International Nuclear Information System (INIS)

    Schwarzer, N

    2014-01-01

    In order to understand the principle differences between rheological or simple stress tests like the uniaxial tensile test to contact mechanical tests and the differences between quasistatic contact experiments and oscillatory ones, this study resorts to effective first principles. This study will show how relatively simple models simulating bond interactions in solids using effective potentials like Lennard-Jones and Morse can be used to investigate the effect of time dependent stress-induced softening or stiffening of these solids. The usefulness of the current study is in the possibility of deriving relatively simple dependences of the bulk-modulus B on time, shear and pressure P with time t. In cases where it is possible to describe, or at least partially describe a material by Lennard-Jones potential approaches, the above- mentioned dependences are even completely free of microscopic material parameters. Instead of bond energies and length, only specific integral parameters like Young’s modulus and Poisson’s ratio are required. However, in the case of time dependent (viscose) material behavior the parameters are not constants anymore. They themselves depend on time and the actual stress field, especially the shear field. A body completely consisting of so called standard linear solid interacting particles will then phenomenologically show a completely different and usually much more complicated mechanical behavior. The influence of the time dependent pressure-shear-induced Young’s modulus change is discussed with respect to mechanical contact experiments and their analysis in the case of viscose materials. (papers)

  19. Effect of a core-softened O-O interatomic interaction on the shock compression of fused silica

    Science.gov (United States)

    Izvekov, Sergei; Weingarten, N. Scott; Byrd, Edward F. C.

    2018-03-01

    Isotropic soft-core potentials have attracted considerable attention due to their ability to reproduce thermodynamic, dynamic, and structural anomalies observed in tetrahedral network-forming compounds such as water and silica. The aim of the present work is to assess the relevance of effective core-softening pertinent to the oxygen-oxygen interaction in silica to the thermodynamics and phase change mechanisms that occur in shock compressed fused silica. We utilize the MD simulation method with a recently published numerical interatomic potential derived from an ab initio MD simulation of liquid silica via force-matching. The resulting potential indicates an effective shoulder-like core-softening of the oxygen-oxygen repulsion. To better understand the role of the core-softening we analyze two derivative force-matching potentials in which the soft-core is replaced with a repulsive core either in the three-body potential term or in all the potential terms. Our analysis is further augmented by a comparison with several popular empirical models for silica that lack an explicit core-softening. The first outstanding feature of shock compressed glass reproduced with the soft-core models but not with the other models is that the shock compression values at pressures above 20 GPa are larger than those observed under hydrostatic compression (an anomalous shock Hugoniot densification). Our calculations indicate the occurrence of a phase transformation along the shock Hugoniot that we link to the O-O repulsion core-softening. The phase transformation is associated with a Hugoniot temperature reversal similar to that observed experimentally. With the soft-core models, the phase change is an isostructural transformation between amorphous polymorphs with no associated melting event. We further examine the nature of the structural transformation by comparing it to the Hugoniot calculations for stishovite. For stishovite, the Hugoniot exhibits temperature reversal and associated

  20. Spectroscopy of light nuclei with realistic NN interaction JISP

    International Nuclear Information System (INIS)

    Shirokov, A. M.; Vary, J. P.; Mazur, A. I.; Weber, T. A.

    2008-01-01

    Recent results of our systematic ab initio studies of the spectroscopy of s- and p-shell nuclei in fully microscopic large-scale (up to a few hundred million basis functions) no-core shell-model calculations are presented. A new high-quality realistic nonlocal NN interaction JISP is used. This interaction is obtained in the J-matrix inverse-scattering approach (JISP stands for the J-matrix inverse-scattering potential) and is of the form of a small-rank matrix in the oscillator basis in each of the NN partial waves, providing a very fast convergence in shell-model studies. The current purely two-body JISP model of the nucleon-nucleon interaction JISP16 provides not only an excellent description of two-nucleon data (deuteron properties and np scattering) with χ 2 /datum = 1.05 but also a better description of a wide range of observables (binding energies, spectra, rms radii, quadrupole moments, electromagnetic-transition probabilities, etc.) in all s-and p-shell nuclei than the best modern interaction models combining realistic nucleon-nucleon and three-nucleon interactions.

  1. Effective realistic interactions for low momentum Hilbert spaces

    International Nuclear Information System (INIS)

    Weber, Dennis

    2012-01-01

    Realistic nucleon-nucleon potentials are an essential ingredient of modern microscopic many-body calculations. These potentials can be represented in two different ways: operator representation or matrix element representation. In operator representation the potential is represented by a set of quantum mechanical operators while in matrix element representation it is defined by the matrix elements in a given basis. Many modern potentials are constructed directly in matrix element representation. While the matrix element representation can be calculated from the operator representation, the determination of the operator representation from the matrix elements is more difficult. Some methods to solve the nuclear many-body problem, such as Fermionic Molecular Dynamics (FMD) or the Green's Function Monte Carlo (GFMC) method, however require explicitly the operator representation of the potential, as they do not work in a fixed many-body basis. It is therefore desirable to derive an operator representation also for the interactions given by matrix elements. In this work a method is presented which allows the derivation of an approximate operator representation starting from the momentum space partial wave matrix elements of the interaction. For that purpose an ansatz for the operator representation is chosen. The parameters in the ansatz are determined by a fit to the partial wave matrix elements. Since a perfect reproduction of the matrix elements in general cannot be achieved with a finite number of operators and the quality of the results depends on the choice of the ansatz, the obtained operator representation is tested in nuclear many-body calculations and the results are compared with those from the initial interaction matrix elements. For the calculation of the nucleon-nucleon scattering phase shifts and the deuteron properties a computer code written within this work is used. For larger nuclei the No Core Shell Model (NCSM) and FMD are applied. The described

  2. Overview of interatomic potentials

    International Nuclear Information System (INIS)

    Bonny, G.; Malerba, L.

    2005-12-01

    In this report an overview on interatomic potentials is given. This overview is by no means complete and it has merely the intention to give the reader an idea of where interatomic potentials come from, as well as to provide the basic ideas behind some commonly used methods for deriving interatomic potentials for molecular dynamics applications. We start by giving a short introduction about the concept of interatomic potential in the framework of quantum mechanics, followed by a short description of commonly used methods for deriving semi-empirical interatomic potentials. After some short theoretical notions on each method, some practical parameterizations of commonly used potentials are given, including very recent ones. An effort has been made to classify existing approaches within a rational and consequent scheme, which is believed to be of use for a thorough comprehension of the topic. Although these approaches can be used in a variety of different materials, we will only discuss the practical cases of metals. Following this, some widespread ad hoc modification of the general methods are discussed. The report is concluded by a generalization of the methods to multi-component materials, in particular metallic alloys. (author)

  3. Microscopic study of the α-16O interaction on the basis of the realistic effective interaction

    International Nuclear Information System (INIS)

    Yamaguchi, Shinichiro; Horiuchi, Hisashi; Yabana, Kazuhiro.

    1989-01-01

    We calculate the α- 16 O complex potential by the totally microscopic method where we use the many-body theory taking into account the Pauli principle explicitly and the realistic effective interactions. The comparison of the theoretical inter-nucleus potential with the phenomenological 'unique' optical potential is performed. (author)

  4. Interatomic interaction effects on second-order momentum correlations and Hong-Ou-Mandel interference of double-well-trapped ultracold fermionic atoms

    Science.gov (United States)

    Brandt, Benedikt B.; Yannouleas, Constantine; Landman, Uzi

    2018-05-01

    Identification and understanding of the evolution of interference patterns in two-particle momentum correlations as a function of the strength of interatomic interactions are important in explorations of the nature of quantum states of trapped particles. Together with the analysis of two-particle spatial correlations, they offer the prospect of uncovering fundamental symmetries and structure of correlated many-body states, as well as opening vistas into potential control and utilization of correlated quantum states as quantum-information resources. With the use of the second-order density matrix constructed via exact diagonalization of the microscopic Hamiltonian, and an analytic Hubbard-type model, we explore here the systematic evolution of characteristic interference patterns in the two-body momentum and spatial correlation maps of two entangled ultracold fermionic atoms in a double well, for the entire attractive- and repulsive-interaction range. We uncover quantum-statistics-governed bunching and antibunching, as well as interaction-dependent interference patterns, in the ground and excited states, and interpret our results in light of the Hong-Ou-Mandel interference physics, widely exploited in photon indistinguishability testing and quantum-information science.

  5. Interatomic Coulombic electron capture

    International Nuclear Information System (INIS)

    Gokhberg, K.; Cederbaum, L. S.

    2010-01-01

    In a previous publication [K. Gokhberg and L. S. Cederbaum, J. Phys. B 42, 231001 (2009)] we presented the interatomic Coulombic electron capture process--an efficient electron capture mechanism by atoms and ions in the presence of an environment. In the present work we derive and discuss the mechanism in detail. We demonstrate thereby that this mechanism belongs to a family of interatomic electron capture processes driven by electron correlation. In these processes the excess energy released in the capture event is transferred to the environment and used to ionize (or to excite) it. This family includes the processes where the capture is into the lowest or into an excited unoccupied orbital of an atom or ion and proceeds in step with the ionization (or excitation) of the environment, as well as the process where an intermediate autoionizing excited resonance state is formed in the capturing center which subsequently deexcites to a stable state transferring its excess energy to the environment. Detailed derivation of the asymptotic cross sections of these processes is presented. The derived expressions make clear that the environment assisted capture processes can be important for many systems. Illustrative examples are presented for a number of model systems for which the data needed to construct the various capture cross sections are available in the literature.

  6. Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

    International Nuclear Information System (INIS)

    Bereau, Tristan; Lilienfeld, O. Anatole von

    2014-01-01

    We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R 6 correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol

  7. Magnetic study of interatomic interactions, synthesis, structural and mass spectroscopy investigations of lanthanum gallate doped with cobalt and magnesium

    International Nuclear Information System (INIS)

    Korolev, D.A.; Chezhina, N.V.; Lopatin, S.I.

    2015-01-01

    Highlights: • Single phase LaCo x Ga 1−1.2x Mg 0.2x O 3 and LaCo x Ga 1−1.5x Mg 0.5x O 3 solutions were obtained. • Two crystalline modifications of solid solutions were found by Rietveld method. • Ferromagnetic clusters including Co, Mg and accompanying oxygen vacancies are found. • Magnetic behavior of clusters is of superparamagnetic type. - Abstract: For the first time by X-ray method two phases of the solid solutions LaCo x Ga 1−1.2x Mg 0.2x O 3−δ and LaCo x Ga 1−1.5x Mg 0.5x O 3−δ (x = 0.01–0.10) with different structure were found – rhombohedral and orthorhombic phases. On the basis of the data on evaporation of the components a synthetic procedure was advanced allowing the losses of cobalt to be minimized. The study of magnetic characteristics of obtained solid solutions showed the formation of high nuclearity clusters containing cobalt atoms, and also magnesium and associated vacancies even in diluted solid solutions. Clusters are characterized by a competition between ferro- and antiferromagnetic exchange interactions, whereas the long order exchange is antiferromagnetic

  8. Magnetic study of interatomic interactions, synthesis, structural and mass spectroscopy investigations of lanthanum gallate doped with cobalt and magnesium

    Energy Technology Data Exchange (ETDEWEB)

    Korolev, D.A., E-mail: chemdim@mail.ru; Chezhina, N.V.; Lopatin, S.I.

    2015-03-05

    Highlights: • Single phase LaCo{sub x}Ga{sub 1−1.2x}Mg{sub 0.2x}O{sub 3} and LaCo{sub x}Ga{sub 1−1.5x}Mg{sub 0.5x}O{sub 3} solutions were obtained. • Two crystalline modifications of solid solutions were found by Rietveld method. • Ferromagnetic clusters including Co, Mg and accompanying oxygen vacancies are found. • Magnetic behavior of clusters is of superparamagnetic type. - Abstract: For the first time by X-ray method two phases of the solid solutions LaCo{sub x}Ga{sub 1−1.2x}Mg{sub 0.2x}O{sub 3−δ} and LaCo{sub x}Ga{sub 1−1.5x}Mg{sub 0.5x}O{sub 3−δ} (x = 0.01–0.10) with different structure were found – rhombohedral and orthorhombic phases. On the basis of the data on evaporation of the components a synthetic procedure was advanced allowing the losses of cobalt to be minimized. The study of magnetic characteristics of obtained solid solutions showed the formation of high nuclearity clusters containing cobalt atoms, and also magnesium and associated vacancies even in diluted solid solutions. Clusters are characterized by a competition between ferro- and antiferromagnetic exchange interactions, whereas the long order exchange is antiferromagnetic.

  9. Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de [Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany and Department of Chemistry, University of Basel, 4056 Basel (Switzerland); Lilienfeld, O. Anatole von [Department of Chemistry, Institute of Physical Chemistry, University of Basel, 4056 Basel, Switzerland and Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2014-07-21

    We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R{sup 6} correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol.

  10. IMMERSE: Interactive Mentoring for Multimodal Experiences in Realistic Social Encounters

    Science.gov (United States)

    2015-08-28

    ride to the airport, asking someone to watch your kids for an hour or pet for a few days; 1000 is characteristic of a large imposition—borrowing a...Influences of Sex and Status in Group Interactions. Journal of Nonverbal Behavior, Vol.(34), pp. 137-153. 44 Dovidio, J. F., Ellyson, S. L., Keating, C...Studies 1, pp. 328–333. 65 de Waal, F. (1982). Chimpanzee politics: Sex and power among apes. Baltimore: Johns Hopkins University Press. 67

  11. Interatom results for stage 2

    International Nuclear Information System (INIS)

    Coors, D.

    1990-01-01

    This report contains the Interatom results for Stage 2 of the ''IWGFR Programme on Intercomparison of LMFBR Core Mechanics Codes'' which was agreed upon on a Consultants Meeting in Vienna, 8-10 December, 1987. The calculations were performed with the 3D core mechanics code system DDT developed at Interatom and with the 2D core mechanics code FIAT. (author). 5 refs, 11 figs, 8 tabs

  12. Interatomic spacing distribution in multicomponent alloys

    International Nuclear Information System (INIS)

    Toda-Caraballo, I.; Wróbel, J.S.; Dudarev, S.L.; Nguyen-Manh, D.; Rivera-Díaz-del-Castillo, P.E.J.

    2015-01-01

    A methodology to compute the distribution of interatomic distances in highly concentrated multicomponent alloys is proposed. By using the unit cell parameter and bulk modulus of the elements involved, the method accurately describes the distortion in the lattice produced by the interaction of the different atomic species. To prove this, density functional theory calculations have been used to provide the description of the lattice in a monophasic BCC MoNbTaVW high entropy alloy and its five sub-quaternary systems at different temperatures. Short-range order is also well described by the new methodology, where the mean error in the predicted atomic coordinates in comparison with the atomistic simulations is in the order of 1–2 pm over all the compositions and temperatures considered. The new method can be applied to tailor solid solution hardening, highly dependent on the distribution of interatomic distances, and guide the design of new high entropy alloys with enhanced properties

  13. Mean-Field and RPA Approaches to Stable and Unstable Nuclei with Semi-Realistic Interactions

    International Nuclear Information System (INIS)

    Nakada, H.

    2009-01-01

    We have developed semi-realistic NN interactions [1, 2] by modifying the M3Y interaction [3] that was derived from the G-matrix. The modification has been made so that the saturation and the spin-orbit splittings could be reproduced. The new interactions contain finite-range LS and tensor channels, as well as Yukawa-form central channels having reasonable spin and spin-isospin properties. In order to handle such interactions in practical calculations, we have also developed new numerical methods [4-6], in which the Gaussian expansion method [7] is applied. It is noted that these methods have the following advantages: (i) we can efficiently describe the energy-dependent asymptotics of single-particle wave functions at large r, as is typified in arguments on the deformed neutron halo in 4 0M g [6], (ii) we can handle various effective interactions, including those having non-locality, and (iii) a single-set of bases is applicable to wide mass range of nuclei and therefore is suitable to systematic calculations. Thereby we can implement Hartree-Fock, Hartree-Fock-Bogolyubov and RPA calculations for stable and unstable nuclei with the semi-realistic interactions. It will be shown first that the new interactions have desired characters for the nuclear matter and for the single- and double-closed nuclei. We shall particularly focus on roles of specific channels of the effective interaction, by studying (a) 'shell evolution' and role of the spin-isospin and the tensor channels [8] in stable and unstable nuclei, and (b) the magnetic response in a fully self-consistent RPA calculation with the tensor force [9]. All these properties seem to be simultaneously and naturally reproduced by the semi-realistic interactions. Thus the semi-realistic interactions are promising in describing various aspects of nuclear structure from stable to drip-line nuclei, in a self-consistent and unified manner. Since they have microscopic origin with minimal modification, we can expect high

  14. Scattering of thermal He beams by crossed atomic and molecular beams. I. Sensitivity of the elastic differential cross section to the interatomic potential

    International Nuclear Information System (INIS)

    Keil, M.; Kuppermann, A.

    1978-01-01

    The ability of diffraction oscillations in atomic beam scattering experiments to uniquely determine interatomic potentials for highly quantal systems is examined. Assumed but realistic potentials are used to generate, by scattering calculations and incorporation of random errors, differential cross sections which are then treated as if they were ''experimental'' data. From these, attempts are made to recover the initial potential by varying the parameters of assumed mathematical forms different from the original one, until a best fit to the ''experimental'' results is obtained. It is found that the region of the interaction potential around the van der Waals minimum is accurately determined by the ''measured'' differential cross sections over a range of interatomic separations significantly wider than would be expected classically. It is also found, for collision energies at which the weakly repulsive wall is appreciably sampled, that the SPF--Dunham and double Morse--van der Waals types of potentials lead to accurate determinations of the interatomic potential, whereas many other mathematical forms do not. Analytical parameterizations most appropriate for obtaining accurate interatomic potentials from thermal DCS experiments, for a given highly quantal system, may depend on the collision energy used

  15. Effective interactions in p-shell nuclei and the realistic interactions - I

    International Nuclear Information System (INIS)

    Upadhyaya, G.K.; Joshi, K.P.

    1984-04-01

    The effective interaction of Jain et al. derived from the Yale interaction by including the prominent core polarization diagrams is analyzed in terms of the interaction radial integrals and their spin tensor components. The interaction is also compared with some phenomenological effective interactions. The general features of the effective force in the 1 p shell region are discussed. (author)

  16. Microscopic calculations of elastic scattering between light nuclei based on a realistic nuclear interaction

    Energy Technology Data Exchange (ETDEWEB)

    Dohet-Eraly, Jeremy [F.R.S.-FNRS (Belgium); Sparenberg, Jean-Marc; Baye, Daniel, E-mail: jdoheter@ulb.ac.be, E-mail: jmspar@ulb.ac.be, E-mail: dbaye@ulb.ac.be [Physique Nucleaire et Physique Quantique, CP229, Universite Libre de Bruxelles (ULB), B-1050 Brussels (Belgium)

    2011-09-16

    The elastic phase shifts for the {alpha} + {alpha} and {alpha} + {sup 3}He collisions are calculated in a cluster approach by the Generator Coordinate Method coupled with the Microscopic R-matrix Method. Two interactions are derived from the realistic Argonne potentials AV8' and AV18 with the Unitary Correlation Operator Method. With a specific adjustment of correlations on the {alpha} + {alpha} collision, the phase shifts for the {alpha} + {alpha} and {alpha} + {sup 3}He collisions agree rather well with experimental data.

  17. Interactive Web-based Floodplain Simulation System for Realistic Experiments of Flooding and Flood Damage

    Science.gov (United States)

    Demir, I.

    2013-12-01

    Recent developments in web technologies make it easy to manage and visualize large data sets with general public. Novel visualization techniques and dynamic user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The floodplain simulation system is a web-based 3D interactive flood simulation environment to create real world flooding scenarios. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create and modify predefined scenarios, control environmental parameters, and evaluate flood mitigation techniques. The web-based simulation system provides an environment to children and adults learn about the flooding, flood damage, and effects of development and human activity in the floodplain. The system provides various scenarios customized to fit the age and education level of the users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various flooding and land use scenarios.

  18. Collective multipole excitations based on correlated realistic nucleon-nucleon interactions

    International Nuclear Information System (INIS)

    Paar, N.; Papakonstantinou, P.; Hergert, H.; Roth, R.

    2006-01-01

    We investigate collective multipole excitations for closed shell nuclei from 16 O to 208 Pb using correlated realistic nucleon-nucleon interactions in the framework of the random phase approximation (RPA). The dominant short-range central and tensor correlations a re treated explicitly within the Unitary Correlation Operator Method (UCOM), which provides a phase-shift equivalent correlated interaction VUCOM adapted to simple uncorrelated Hilbert spaces. The same unitary transformation that defines the correlated interaction is used to derive correlated transition operators. Using VUCOM we solve the Hartree-Fock problem and employ the single-particle states as starting point for the RPA. By construction, the UCOM-RPA is fully self-consistent, i.e. the same correlated nucleon-nucleon interact ion is used in calculations of the HF ground state and in the residual RPA interaction. Consequently, the spurious state associated with the center-of-mass motion is properly removed and the sum-rules are exhausted within ±3%. The UCOM-RPA scheme results in a collective character of giant monopole, dipole, and quadrupole resonances in closed-shell nuclei across the nuclear chart. For the isoscalar giant monopole resonance, the resonance energies are in agreement with experiment hinting at a reasonable compressibility. However, in the 1 - and 2 + channels the resonance energies are overestimated due to missing long-range correlations and three-body contributions. (orig.)

  19. Phonon optimized interatomic potential for aluminum

    Directory of Open Access Journals (Sweden)

    Murali Gopal Muraleedharan

    2017-12-01

    Full Text Available We address the problem of generating a phonon optimized interatomic potential (POP for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA to optimize the free parameters in an empirical interatomic potential (EIP. For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT calculations. Existing potentials for aluminum, such as the embedded atom method (EAM and charge-optimized many-body (COMB3 potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE, employing Fermi’s Golden Rule to predict the phonon-phonon relaxation times.

  20. Phonon optimized interatomic potential for aluminum

    Science.gov (United States)

    Muraleedharan, Murali Gopal; Rohskopf, Andrew; Yang, Vigor; Henry, Asegun

    2017-12-01

    We address the problem of generating a phonon optimized interatomic potential (POP) for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA) to optimize the free parameters in an empirical interatomic potential (EIP). For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT) calculations. Existing potentials for aluminum, such as the embedded atom method (EAM) and charge-optimized many-body (COMB3) potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD) simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE), employing Fermi's Golden Rule to predict the phonon-phonon relaxation times.

  1. Bayesian ensemble approach to error estimation of interatomic potentials

    DEFF Research Database (Denmark)

    Frederiksen, Søren Lund; Jacobsen, Karsten Wedel; Brown, K.S.

    2004-01-01

    Using a Bayesian approach a general method is developed to assess error bars on predictions made by models fitted to data. The error bars are estimated from fluctuations in ensembles of models sampling the model-parameter space with a probability density set by the minimum cost. The method...... is applied to the development of interatomic potentials for molybdenum using various potential forms and databases based on atomic forces. The calculated error bars on elastic constants, gamma-surface energies, structural energies, and dislocation properties are shown to provide realistic estimates...

  2. Interatomic potentials for fusion reactor material simulations

    International Nuclear Information System (INIS)

    Bjoerkas, C.

    2009-01-01

    In this thesis, the behaviour of a material situated in a fusion reactor was studied using molecular dynamics simulations. Simulations of processes in the next generation fusion reactor ITER include the reactor materials beryllium, carbon and tungsten as well as the plasma hydrogen isotopes. This means that interaction models, i.e. interatomic potentials, for this complicated quaternary system are needed. The task of finding such potentials is nonetheless nearly at its end, since models for the beryllium-carbon-hydrogen interactions were constructed in this thesis and as a continuation of that work, a beryllium-tungsten model is under development. These potentials are combinable with the earlier tungsten-carbon-hydrogen ones. The potentials were used to explain the chemical sputtering of beryllium due to deuterium plasma exposure. During experiments, a large fraction of the sputtered beryllium atoms were observed to be released as BeD molecules, and the simulations identified the swift chemical sputtering mechanism, previously not believed to be important in metals, as the underlying mechanism. Radiation damage in the reactor structural materials vanadium, iron and iron chromium, as well as in the wall material tungsten and the mixed alloy tungsten carbide, was also studied in this thesis. Interatomic potentials for vanadium, tungsten and iron were modified to be better suited for simulating collision cascades that are formed during particle irradiation, and the potential features affecting the resulting primary damage were identified. Including the often neglected electronic effects in the simulations was also shown to have an impact on the damage. With proper tuning of the electronphonon interaction strength, experimentally measured quantities related to ion-beam mixing in iron could be reproduced. The damage in tungsten carbide alloys showed elemental asymmetry, as the major part of the damage consisted of carbon defects. On the other hand, modelling the damage

  3. Interatomic potentials and the simulation of lattice defects in metals

    International Nuclear Information System (INIS)

    Heugten, W.F.W.M. van.

    1979-01-01

    The computer simulation technique is applied to investigate the properties of point defects and line defects in metals. For that purpose crystallites are constructed in which these defects are simulated. In the case of line defects (dislocations) the initial positions of the atoms, surrounding the dislocations, are determined using the elastic theory of anisotropic media. Hereafter the atoms in such crystallites are allowed to relax to there minimum potential energy positions under the influence of the interatomic forces. These forces are derived from interatomic interaction potentials. These potentials are together with the boundary conditions of the simulated crystallite the main input data in these computer simulation models. The metals considered include molybdenum, tungsten and tantalum. (Auth.)

  4. The screening length of interatomic potential in atomic collisions

    International Nuclear Information System (INIS)

    Yamamura, Y.; Takeuchi, W.; Kawamura, T.

    1998-03-01

    In computer studies on the interaction of charged particle with solids, many authors treat the nuclear collision by the Thomas-Fermi screened Coulomb potential. For better agreement with experiment, the screening length is modified sometimes. We investigate the theoretical background for the correction factor of the screening length in the interatomic potential which can be deduced from two steps. The first step is to select the correction factor of an isolated atom so as to match the average radius of the Thomas-Fermi electron distribution with that of the Hartree-Fock electron distribution, where we use the Clementi and Roetti's table. The second step is to determine the correction factor of the screening length of the interatomic potential by using a combination rule. The correction factors obtained for the screening length are in good agreement with those determined by the computer analysis of the Impact Collision Ion Scattering Spectroscopy (ICISS) data. (author)

  5. FAST TRACK COMMUNICATION: A Be-W interatomic potential

    Science.gov (United States)

    Björkas, C.; Henriksson, K. O. E.; Probst, M.; Nordlund, K.

    2010-09-01

    In this work, an interatomic potential for the beryllium-tungsten system is derived. It is the final piece of a potential puzzle, now containing all possible interactions between the fusion reactor materials beryllium, tungsten and carbon as well as the plasma hydrogen isotopes. The potential is suitable for plasma-wall interaction simulations and can describe the intermetallic Be2W and Be12W phases. The interaction energy between a Be surface and a W atom, and vice versa, agrees qualitatively with ab initio calculations. The potential can also reasonably describe BexWy molecules with x, y = 1, 2, 3, 4.

  6. Realistic versus Schematic Interactive Visualizations for Learning Surveying Practices: A Comparative Study

    Science.gov (United States)

    Dib, Hazar; Adamo-Villani, Nicoletta; Garver, Stephen

    2014-01-01

    Many benefits have been claimed for visualizations, a general assumption being that learning is facilitated. However, several researchers argue that little is known about the cognitive value of graphical representations, be they schematic visualizations, such as diagrams or more realistic, such as virtual reality. The study reported in the paper…

  7. Coarse-grained versus atomistic simulations : realistic interaction free energies for real proteins

    NARCIS (Netherlands)

    May, Ali; Pool, René; van Dijk, Erik; Bijlard, Jochem; Abeln, Sanne; Heringa, Jaap; Feenstra, K Anton

    2014-01-01

    MOTIVATION: To assess whether two proteins will interact under physiological conditions, information on the interaction free energy is needed. Statistical learning techniques and docking methods for predicting protein-protein interactions cannot quantitatively estimate binding free energies. Full

  8. Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins

    NARCIS (Netherlands)

    May, A.; Pool, R.; van Dijk, E.; Bijlard, J.; Abeln, S.; Heringa, J.; Feenstra, K.A.

    2014-01-01

    MOTIVATION: To assess whether two proteins will interact under physiological conditions, information on the interaction free energy is needed. Statistical learning techniques and docking methods for predicting protein-protein interactions cannot quantitatively estimate binding free energies. Full

  9. Interatomic potentials for materials of nuclear interest

    International Nuclear Information System (INIS)

    Fernandez, Julian R.; Monti, Ana M.; Pasianot, Roberto C.; Simonelli, G.

    2007-01-01

    Procedures to develop embedded atom method (EAM) interatomic potentials are described, with foreseeable applications in nuclear materials. Their reliability is shown by evaluating relevant properties. The studied materials are Nb, Zr and U. The first two were then used to develop an inter species potential for the Zr-Nb binary system. In this sense, the Fe-Cu system was also studied starting from Fe and Cu potentials extracted from the literature. (author) [es

  10. Attractive short-range interatomic potential in the lattice dynamics of niobium and tantalum

    International Nuclear Information System (INIS)

    Onwuagba, B.N.; Pal, S.

    1987-01-01

    It is shown in the framework of the pseudopotential approach that there is a sizable attractive short-range component of the interatomic potential due to the s-d interaction which has the same functional form in real space as the Born-Mayer repulsion due to the overlap of core electron wave functions centred on neighbouring ions. The magnitude of this attractive component is such as to completely cancel the conventional Born-Mayer repulsion, making the resultant short-range interatomic potential attractive rather than repulsive. Numerical calculations show that the attractive interatomics potential, which represents the local-field correction, leads to a better understanding of the occurrence of the soft modes in the phonon dispersion curves of niobium and tantalum

  11. Setting realistic recovery targets for two interacting endangered species, sea otter and northern abalone.

    Science.gov (United States)

    Chadès, Iadine; Curtis, Janelle M R; Martin, Tara G

    2012-12-01

    Failure to account for interactions between endangered species may lead to unexpected population dynamics, inefficient management strategies, waste of scarce resources, and, at worst, increased extinction risk. The importance of species interactions is undisputed, yet recovery targets generally do not account for such interactions. This shortcoming is a consequence of species-centered legislation, but also of uncertainty surrounding the dynamics of species interactions and the complexity of modeling such interactions. The northern sea otter (Enhydra lutris kenyoni) and one of its preferred prey, northern abalone (Haliotis kamtschatkana), are endangered species for which recovery strategies have been developed without consideration of their strong predator-prey interactions. Using simulation-based optimization procedures from artificial intelligence, namely reinforcement learning and stochastic dynamic programming, we combined sea otter and northern abalone population models with functional-response models and examined how different management actions affect population dynamics and the likelihood of achieving recovery targets for each species through time. Recovery targets for these interacting species were difficult to achieve simultaneously in the absence of management. Although sea otters were predicted to recover, achieving abalone recovery targets failed even when threats to abalone such as predation and poaching were reduced. A management strategy entailing a 50% reduction in the poaching of northern abalone was a minimum requirement to reach short-term recovery goals for northern abalone when sea otters were present. Removing sea otters had a marginally positive effect on the abalone population but only when we assumed a functional response with strong predation pressure. Our optimization method could be applied more generally to any interacting threatened or invasive species for which there are multiple conservation objectives. © 2012 Society for

  12. Quasi-realistic distribution of interaction fields leading to a variant of Ising spin glass model

    International Nuclear Information System (INIS)

    Tanasa, Radu; Enachescu, Cristian; Stancu, Alexandru; Linares, Jorge; Varret, Francois

    2004-01-01

    The distribution of interaction fields of an Ising-like system, obtained by Monte Carlo entropic sampling is used for modeling the hysteretic behavior of patterned media made of magnetic particles with a common anisotropy axis; a variant of the canonical Edwards-Anderson Ising spin glass model is introduced

  13. INTERATOM experience of cleaning sodium-wetted components

    International Nuclear Information System (INIS)

    Haubold, W.

    1978-01-01

    INTERATOM has been concerned since 1967 with the development, testing, and application of methods to clean sodium wetted components by moist nitrogen, vacuum distillation or alcohol. The activities of INTERATOM in this area have been reported at the IAEA Specialists Meeting on 'Decontamination of Plant Components from Sodium and Radioactivity' in Dounreay, April 9-12, 1973. The three cleaning methods mentioned above are practised at present, too - with minor modifications - by INTERATOM and in the facilities of the SNR project. This note summarizes the experiences of INTERATOM with methods of sodium removal since 1973

  14. The nucleon-nucleon interaction from a realistic pseudoscalar-vector chiral lagrangian

    International Nuclear Information System (INIS)

    Kaiser, N.; Meissner, U.G.; Massachusetts Inst. of Tech., Cambridge

    1990-01-01

    We investigate the static nucleon-nucleon potential in the framework of a non-linear chiral meson theory. The model includes pions as well as the vector mesons ρ and ω. All parameters are fixed in the meson sector and predictions about the nucleon-nucleon interaction follow without adjusting any parameters. We use an S-matrix approach to calculate correlated two-pion exchange between two solitons. The most prominent feature of this two-pion exchange is that it leads very natural to attraction in the scalar-isoscalar channel. We also discuss the effect of πp correlations on the central potential, and present the spectral function related to the correlated two-pion exchange. Furthermore, we study the form factors of the nucleon sources related to the two-pion exchange and find that they are of dipole type with typical cutoff scales Λ D ≅ 700 MeV. We also discuss the destructive interference of π- and ρ-exchange in the isovector tensor potential. Altogether, we present a unified treatment of meson exchange phenomenology based on a serious model of the nucleon. Finally, we point out the limitations of the model and discuss some further applications. (orig.)

  15. Travel for the 2004 American Statistical Association Biannual Radiation Meeting: "Radiation in Realistic Environments: Interactions Between Radiation and Other Factors

    Energy Technology Data Exchange (ETDEWEB)

    Brenner, David J.

    2009-07-21

    The 16th ASA Conference on Radiation and Health, held June 27-30, 2004 in Beaver Creek, CO, offered a unique forum for discussing research related to the effects of radiation exposures on human health in a multidisciplinary setting. The Conference furnishes investigators in health related disciplines the opportunity to learn about new quantitative approaches to their problems and furnishes statisticians the opportunity to learn about new applications for their discipline. The Conference was attended by about 60 scientists including statisticians, epidemiologists, biologists and physicists interested in radiation research. For the first time, ten recipients of Young Investigator Awards participated in the conference. The Conference began with a debate on the question: “Do radiation doses below 1 cGy increase cancer risks?” The keynote speaker was Dr. Martin Lavin, who gave a banquet presentation on the timely topic “How important is ATM?” The focus of the 2004 Conference on Radiation and Health was Radiation in Realistic Environments: Interactions Between Radiation and Other Risk Modifiers. The sessions of the conference included: Radiation, Smoking, and Lung Cancer Interactions of Radiation with Genetic Factors: ATM Radiation, Genetics, and Epigenetics Radiotherapeutic Interactions The Conference on Radiation and Health is held bi-annually, and participants are looking forward to the 17th conference to be held in 2006.

  16. Is there a contraction of the interatomic distance in small metal particles?

    DEFF Research Database (Denmark)

    Hansen, Lars Bruno; Stoltze, Per; Nørskov, Jens Kehlet

    1990-01-01

    A theoretical analysis is made of the bond lengths of small (100–1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very s...... small changes in bond length with particle size, but the motion in the small particles is very anharmonic. We use this observation to resolve the current experimental controversy about the existence of bond contraction for small metal particles.......A theoretical analysis is made of the bond lengths of small (100–1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very...

  17. Real and imaginary part of the potential between two nuclei and the realistic nucleon-nucleon interaction

    International Nuclear Information System (INIS)

    Trefz, M.

    1985-01-01

    Starting from a realistic nucleon-nucleon interaction (Reid soft-core) in the model of two infinitely extended confusing nuclear matter complex energy densities are calculated by means of a G matrix. By means of a generalized local-density approximation the results are transferred to finite nuclei. In the framework of the frozen-density approximation in the energy-density formalism a complex potential between two nuclei is calculated. The potential calculated so contains not the contribution of 1-particle-1-hole states to the optical potential. The contribution of these states is therefore calculated in the Feshbach formalism, respectively these states are explicitely regarded in coupled-channel calculations. The model is applied to light (for instance 12 C+ 12 C), medium heavy (for instance 48 Ca+ 48 Ca), and heavy (for instance 40 Ar+ 208 Pb) systems. Potentials for incident energies of 5-84 MeV per projectile nucleon are calculated. By means of these potentials differential cross sections and reaction cross sections are determined and compared with the experimental data. The energy dependence of the reaction cross section is discussed. It is shown that at higher energies (40 MeV/N) the differential cross sections can be quantitatively reproduced. For the reaction cross section in the whole energy range good agreement with the experiment is obtained. Contrarily to current theoretical models it is proved that at low energies the excitation of collective states yields a large contribution to the reaction cross section and therefore must not be neglected. (orig.) [de

  18. Precision measurements in the weak interaction framework: development of realistic simulations for the LPCTrap device installed at GANIL

    International Nuclear Information System (INIS)

    Fabian, Xavier

    2015-01-01

    This work belongs to the effort presently deployed to measure the angular correlation parameter a_β_ν in three nuclear beta decays ("6He"+, "3"5Ar"+ and "1"9Ne"+). The V-A structure of the weak interaction implies that a_β_ν = +1 for a pure Fermi transition and a_β_ν = -1/3 for a pure Gamow-Teller transition. A thorough measurement of this parameter to check any deviation from these values may lead to the discovery of possible exotic currents. Furthermore, the measurement of a_β_ν in mirror transitions allows the extraction of V_u_d, the first element of the Cabibbo-Kobayashi-Maskawa (CKM) matrix. The LPCTrap apparatus, installed at GANIL, is designed to ready a continuous ion beam for injection in a dedicated Paul trap. This latter device allows to have a quasi-punctual source from which the decay products are detected in coincidence. It is from the study of the recoil ion time-of-flight (TOF) distribution that a_β_ν is withdrawn and, since 2010, the associated Shake-Off (SO) probabilities. This study requires the complete simulation of the LPCTrap experiments. The major part of this work is dedicated to such simulations, especially to the modeling of the trapped ion cloud dynamic. The Clouda program, which takes advantage of graphics processing unit (GPU), was developed in this context and its full characterization is presented here. Three important aspects are addressed: the electromagnetic trapping field, the realistic collisions between the ions and the buffer gas atoms and the space charge effect. The present work shows the importance of these simulations to increase the control of the systematic errors on a_β_ν. (author) [fr

  19. Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades

    CERN Document Server

    Becquart, C S; Legris, A; Van Duysen, J C

    2000-01-01

    Molecular dynamics (MD) is a powerful tool to study the displacement cascades initiated by the neutrons when they interact with matter. Key components of this technique are the interatomic potentials which model the binding of the different constitutive atoms. There exist many interatomic potentials dedicated to alpha-Fe and we have tested three of them for the study of radiation damage. We have found that the primary damage is potential sensitive. From our study, it appears that some characteristics of the potentials, not always considered, can be correlated to the type of damage produced by displacement cascades. The repulsive part of the potential has a strong influence on the cascade morphology. Moreover, equilibrium properties such as the atoms mean square displacements, the vacancy migration and vacancy-vacancy binding energies also appear to have some influence and should be investigated carefully when simulating radiation damage. It is therefore very important to use extreme care when trying to obtain...

  20. Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem

    Science.gov (United States)

    Tkatchenko, Alexandre; Ambrosetti, Alberto; DiStasio, Robert A.

    2013-02-01

    Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory calculations. However, when applied to more than two atoms, these methods are still frequently perceived to be based on ad hoc assumptions, rather than a rigorous derivation from quantum mechanics. Starting from the adiabatic connection fluctuation-dissipation (ACFD) theorem, an exact expression for the electronic exchange-correlation energy, we demonstrate that the pairwise interatomic dispersion energy for an arbitrary collection of isotropic polarizable dipoles emerges from the second-order expansion of the ACFD formula upon invoking the random-phase approximation (RPA) or the full-potential approximation. Moreover, for a system of quantum harmonic oscillators coupled through a dipole-dipole potential, we prove the equivalence between the full interaction energy obtained from the Hamiltonian diagonalization and the ACFD-RPA correlation energy. This property makes the Hamiltonian diagonalization an efficient method for the calculation of the many-body dispersion energy. In addition, we show that the switching function used to damp the dispersion interaction at short distances arises from a short-range screened Coulomb potential, whose role is to account for the spatial spread of the individual atomic dipole moments. By using the ACFD formula, we gain a deeper understanding of the approximations made in the interatomic pairwise approaches, providing a powerful formalism for further development of accurate and efficient methods for the calculation of the dispersion energy.

  1. Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations

    International Nuclear Information System (INIS)

    Varandas, A.J.C.

    1980-01-01

    A suggestion is made for using the zeroth-order exchange term, at the one-exchange level, in the perturbation development of the interaction energy as a criterion for optmizing the atomic basis sets in interatomic force calculations. The approach is illustrated for the case of two helium atoms. (orig.)

  2. A tungsten-rhenium interatomic potential for point defect studies

    Science.gov (United States)

    Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

    2018-05-01

    A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).

  3. Atomistic simulations of TeO₂-based glasses: interatomic potentials and molecular dynamics.

    Science.gov (United States)

    Gulenko, Anastasia; Masson, Olivier; Berghout, Abid; Hamani, David; Thomas, Philippe

    2014-07-21

    In this work we present for the first time empirical interatomic potentials that are able to reproduce TeO2-based systems. Using these potentials in classical molecular dynamics simulations, we obtained first results for the pure TeO2 glass structure model. The calculated pair distribution function is in good agreement with the experimental one, which indicates a realistic glass structure model. We investigated the short- and medium-range TeO2 glass structures. The local environment of the Te atom strongly varies, so that the glass structure model has a broad Q polyhedral distribution. The glass network is described as weakly connected with a large number of terminal oxygen atoms.

  4. States of atoms and interatomic interactions in complex perovskite-like oxides. Communication XXIII. Magnetic dilution in the La(Sr)NiO3-LaGaO3

    International Nuclear Information System (INIS)

    Chezhina, N.V.; Bodritskaya, Eh.V.; Zhuk, N.A.

    2008-01-01

    Magnetic susceptibility of dilute solid solutions of lanthanum gallates doped with nickel and also with nickel and strontium was studied. Calculations showed that the main contribution into the exchange interactions in gallates doped with nickel is made by dimers formed by low-spin nickel(III) (J -20 cm -1 ), and in gallates doped with strontium and nickel the main contribution is due to dimers formed by high-and low-spin nickel (J 10 cm -1 ). Electrical conductivity measurements showed that the samples under study are electron and ion conductors [ru

  5. Atom states and interatomic interactions in complex perovskite-like oxides. 4. Spin state of nickel(2) atoms in LaCa0.5Sr0.5NixAl1-xO4 solid solutions

    International Nuclear Information System (INIS)

    Chezhina, N.V.; Kuznetsova, I.V.

    1995-01-01

    Solid solutions of LaCa 0.5 Sr 0.5 Ni x Al 1-x O 4 (0≤x≤0.10) have been synthesized and their magnetic susceptibility in the temperature range of 77-400 K has been studied. The change in the basic state of nickel atoms in case of partial substitution of calcium for strontium atoms has been studied. The change in the basic state of nickel atoms in case of partial substitution of calcium for strontium atoms has been studied, as well as the way it affects exchange interaction in a complex oxide. It is shown that the substitution results in increase of the degree of paramagnetic atoms aggregation in solid solution. 9 refs., 2 figs., 1 tab

  6. [Non-empirical interatomic potentials for transition metals

    International Nuclear Information System (INIS)

    1993-01-01

    The report is divided into the following sections: potential-energy functions for d-band metals, potential-energy functions for aluminides and quasicrystals, electronic structure of complex structures and quasicrystals, potential-energy functions in transition-metal oxides, applications to defect structure and mechanical properties, and basic theory of interatomic potentials

  7. Modified embedded-atom method interatomic potential for the Fe-Al system

    International Nuclear Information System (INIS)

    Lee, Eunkoo; Lee, Byeong-Joo

    2010-01-01

    An interatomic potential for the Fe-Al binary system has been developed based on the modified embedded-atom method (MEAM) potential formalism. The potential can describe various fundamental physical properties of Fe-Al binary alloys-structural, elastic and thermodynamic properties, defect formation behavior and interactions between defects-in reasonable agreement with experimental data or higher-level calculations. The applicability of the potential to atomistic investigations of various defect formation behaviors and their effects on the mechanical properties of high aluminum steels as well as Fe-Al binary alloys is demonstrated.

  8. Realistic PIC modelling of laser-plasma interaction: a direct implicit method with adjustable damping and high order weight functions

    International Nuclear Information System (INIS)

    Drouin, M.

    2009-11-01

    This research thesis proposes a new formulation of the relativistic implicit direct method, based on the weak formulation of the wave equation which is solved by means of a Newton algorithm. The first part of this thesis deals with the properties of the explicit particle-in-cell (PIC) methods: properties and limitations of an explicit PIC code, linear analysis of a numerical plasma, numerical heating phenomenon, interest of a higher order interpolation function, and presentation of two applications in high density relativistic laser-plasma interaction. The second and main part of this report deals with adapting the direct implicit method to laser-plasma interaction: presentation of the state of the art, formulating of the direct implicit method, resolution of the wave equation. The third part concerns various numerical and physical validations of the ELIXIRS code: case of laser wave propagation in vacuum, demonstration of the adjustable damping which is a characteristic of the proposed algorithm, influence of space-time discretization on energy conservation, expansion of a thermal plasma in vacuum, two cases of plasma-beam unsteadiness in relativistic regime, and then a case of the overcritical laser-plasma interaction

  9. Crystallographic studies of inter-atomic interactions and ion migration

    DEFF Research Database (Denmark)

    Filsø, Mette Østergaard

    2016-01-01

    anvendt på kendte Li ionledere til anvendelse som elektroder i Li-ion batterier. Metoden valideres ved sammenligning med eksperiment og en række andre teoretiske metoder, og trods det simple beregningsprincip foreslår the Procrysal Analysis mange korrekte migrationsstier og estimerer den relative...... struktur, hvilket fører til en reversibel formindskelse af båndgabet og et betydeligt farveskift. For både TiS2, ZnSb og Zn4Sb3 blev der fundet faseovergange ved højt tryk: TiS2 omdannedes til et trefasesystem, som stadig er bliver undersøgt, mens ZnSb og Zn4Sb3 begge omdannedes til den samme, simple...

  10. First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

    International Nuclear Information System (INIS)

    Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

    2000-01-01

    Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase. (c) 2000 The American Physical Society

  11. First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

    Science.gov (United States)

    Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

    2000-08-01

    Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase.

  12. A comparison of interatomic potentials for modeling tungsten nanocluster structures

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Jiannan; Shu, Xiaolin, E-mail: shuxlin@buaa.edu.cn; Jin, Shuo; Zhang, Xuesong; Zhang, Ying; Lu, Guang-Hong

    2017-02-15

    Molecular dynamic simulation is utilized to study the nanocluster and the fuzz structure on the PFM surface of tungsten. The polyhedral and linear cluster structures based on the icosahedron, cuboctahedron and rhombic dodecahedron are built up. Three interatomic potentials are used in calculating the relationship between the cluster energy and the number of atoms. The results are compared with first-principles calculation to show each potential’s best application scale. Furthermore, the transition between the icosahedral and the cuboctahedral clusters is observed in molecular dynamic simulation at different temperatures, which follows a critical curve for different numbers of atoms. The linear structures are proved to be stable at experimental temperatures by thermodynamics. The work presents a selection of interatomic potentials in simulating tungsten cluster systems and helps researchers understand the growth and evolution laws of clusters and the fuzz-like structure formation process in fusion devices.

  13. A comparison of interatomic potentials for modeling tungsten nanocluster structures

    International Nuclear Information System (INIS)

    Hao, Jiannan; Shu, Xiaolin; Jin, Shuo; Zhang, Xuesong; Zhang, Ying; Lu, Guang-Hong

    2017-01-01

    Molecular dynamic simulation is utilized to study the nanocluster and the fuzz structure on the PFM surface of tungsten. The polyhedral and linear cluster structures based on the icosahedron, cuboctahedron and rhombic dodecahedron are built up. Three interatomic potentials are used in calculating the relationship between the cluster energy and the number of atoms. The results are compared with first-principles calculation to show each potential’s best application scale. Furthermore, the transition between the icosahedral and the cuboctahedral clusters is observed in molecular dynamic simulation at different temperatures, which follows a critical curve for different numbers of atoms. The linear structures are proved to be stable at experimental temperatures by thermodynamics. The work presents a selection of interatomic potentials in simulating tungsten cluster systems and helps researchers understand the growth and evolution laws of clusters and the fuzz-like structure formation process in fusion devices.

  14. Development of an interatomic EAM type potential for Zr

    International Nuclear Information System (INIS)

    Pasianot, R.C.; Monti, A.M.

    1996-01-01

    In the present work are developed interatomic potentials of the embedded atom type (EAM) adequate for computer simulation of microstructural defects in the Zr lattice. It is observed that the less repulsive potential agrees better with the experimental data of the self-interstitial relaxation volume and predicts the basal crowdion as the stable configuration, the basal dumbbell having a formation energy slightly higher (0.01 eV). (author). 9 refs., 1 fig., 3 tabs

  15. Effect of realistic astrophysical inputs on the phase and shape of the weakly interacting massive particles annual modulation signal

    International Nuclear Information System (INIS)

    Green, Anne M.

    2003-01-01

    The orbit of the Earth about the Sun produces an annual modulation in the weakly interacting massive particles (WIMP) direct detection rate. If the local WIMP velocity distribution is isotropic then the modulation is roughly sinusoidal with maximum in June; however, if the velocity distribution is anisotropic the phase and shape of the signal can change. Motivated by conflicting claims about the effect of uncertainties in the local velocity distribution on the interpretation of the DAMA annual modulation signal (and the possibility that the form of the modulation could be used to probe the structure of the Milky Way halo), we study the dependence of the annual modulation on various astrophysical inputs. We first examine the approximations used for the Earth's motion about the Sun and the Sun's velocity with respect to the Galactic rest frame. We find that overly simplistic assumptions lead to errors of up to ten days in the phase and up to tens of percent in the shape of the signal, even if the velocity distribution is isotropic. Crucially, if the components of the Earth's velocity perpendicular to the motion of the Sun are neglected, then the change in the phase which occurs for anisotropic velocity distributions is missed. We then examine how the annual modulation signal varies for physically and observationally well-motivated velocity distributions. We find that the phase of the signal changes by up to 20 days and the mean value and amplitude change by up to tens of percent

  16. Study of interatomic potential and thermal structural properties of β-Zn4Sb3

    International Nuclear Information System (INIS)

    Li, Guodong; Li, Yao; Liu, Lisheng; Zhang, Qingjie; Zhai, Pengcheng

    2012-01-01

    Highlights: ► The multi-body interatomic potentials of various models of β-Zn 4 Sb 3 have been developed to describe atomic interactions. ► The radial distribution function shows that the 10% vacancy of Zn site leads to the disorder of β-Zn 4 Sb 3 . ► The 10% vacancy of Zn site is the main cause of the exceptional low thermal conductivity. -- Abstract: Previous experimental research shows that the disordered Zn atoms in β-Zn 4 Sb 3 may have an important influence on its exceptionally low thermal conductivity and easily occurred phase transition. So the present work aims to study the influence of disordered Zn atoms on thermodynamics properties of β-Zn 4 Sb 3 by using molecular dynamics (MD) method. Firstly, based on first principles calculation and experimental results, the interatomic potentials of β-Zn 4 Sb 3 and MD analysis method are established, and the feasibility is verified. Then, the influence of disordered Zn atoms on thermal conductivity of β-Zn 4 Sb 3 is studied in detail. The simulation results indicate that the 10% vacant Zn atoms is the main reason for the exceptionally low thermal conductivity of β-Zn 4 Sb 3 , and it seems that the interstitial Zn atoms have little effect on its thermal conductivity.

  17. Interatomic Potential to Simulate Radiation Damage in Fe-Cr Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bonny, G.; Pasianot, R.; Terentyev, D.; Malerba, L.

    2011-03-15

    The report presents an Fe-Cr interatomic potential to model high-Cr ferritic alloys. The potential is fitted to thermodynamic and point-defect properties obtained from density functional theory (DFT) calculations and experiments. The developed potential is also benchmarked against other potentials available in literature. It shows particularly good agreement with the DFT obtained mixing enthalpy of the random alloy, the formation energy of intermetallics and experimental excess vibrational entropy and phase diagram. In addition, DFT calculated point-defect properties, both interstitial and substitutional, are well reproduced, as is the screw dislocation core structure. As a first validation of the potential, we study the precipitation hardening of Fe-Cr alloys via static simulations of the interaction between Cr precipitates and screw dislocations. It is concluded that the description of the dislocation core modification near a precipitate might have a significant influence on the interaction mechanisms observed in dynamic simulations.

  18. Interatomic Potential to Simulate Radiation Damage in Fe-Cr Alloys

    International Nuclear Information System (INIS)

    Bonny, G.; Pasianot, R.; Terentyev, D.; Malerba, L.

    2011-01-01

    The report presents an Fe-Cr interatomic potential to model high-Cr ferritic alloys. The potential is fitted to thermodynamic and point-defect properties obtained from density functional theory (DFT) calculations and experiments. The developed potential is also benchmarked against other potentials available in literature. It shows particularly good agreement with the DFT obtained mixing enthalpy of the random alloy, the formation energy of intermetallics and experimental excess vibrational entropy and phase diagram. In addition, DFT calculated point-defect properties, both interstitial and substitutional, are well reproduced, as is the screw dislocation core structure. As a first validation of the potential, we study the precipitation hardening of Fe-Cr alloys via static simulations of the interaction between Cr precipitates and screw dislocations. It is concluded that the description of the dislocation core modification near a precipitate might have a significant influence on the interaction mechanisms observed in dynamic simulations.

  19. Accurate Ne-heavier rare gas interatomic potentials

    International Nuclear Information System (INIS)

    Candori, R.; Pirani, F.; Vecchiocattivi, F.

    1983-01-01

    Accurate interatomic potential curves for Ne-heavier rare gas systems are obtained by a multiproperty analysis. The curves are given via a parametric function which consists of a modified Dunham expansion connected at long range with the van der Waals expansion. The experimental properties considered in the analysis are the differential scattering cross sections at two different collision energies, the integral cross sections in the glory energy range and the second virial coefficients. The transport properties are considered indirectly by using the potential energy values recently obtained by inversion of the transport coefficients. (author)

  20. Parameterization of interatomic potential by genetic algorithms: A case study

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Partha S., E-mail: psghosh@barc.gov.in; Arya, A.; Dey, G. K. [Materials Science Division, Bhabha Atomic Research Centre, Mumbai-400085 (India); Ranawat, Y. S. [Department of Ceramic Engineering, Indian Institute of Technology (BHU), Varanasi-221005 (India)

    2015-06-24

    A framework for Genetic Algorithm based methodology is developed to systematically obtain and optimize parameters for interatomic force field functions for MD simulations by fitting to a reference data base. This methodology is applied to the fitting of ThO{sub 2} (CaF{sub 2} prototype) – a representative of ceramic based potential fuel for nuclear applications. The resulting GA optimized parameterization of ThO{sub 2} is able to capture basic structural, mechanical, thermo-physical properties and also describes defect structures within the permissible range.

  1. VoroMQA: Assessment of protein structure quality using interatomic contact areas.

    Science.gov (United States)

    Olechnovič, Kliment; Venclovas, Česlovas

    2017-06-01

    In the absence of experimentally determined protein structure many biological questions can be addressed using computational structural models. However, the utility of protein structural models depends on their quality. Therefore, the estimation of the quality of predicted structures is an important problem. One of the approaches to this problem is the use of knowledge-based statistical potentials. Such methods typically rely on the statistics of distances and angles of residue-residue or atom-atom interactions collected from experimentally determined structures. Here, we present VoroMQA (Voronoi tessellation-based Model Quality Assessment), a new method for the estimation of protein structure quality. Our method combines the idea of statistical potentials with the use of interatomic contact areas instead of distances. Contact areas, derived using Voronoi tessellation of protein structure, are used to describe and seamlessly integrate both explicit interactions between protein atoms and implicit interactions of protein atoms with solvent. VoroMQA produces scores at atomic, residue, and global levels, all in the fixed range from 0 to 1. The method was tested on the CASP data and compared to several other single-model quality assessment methods. VoroMQA showed strong performance in the recognition of the native structure and in the structural model selection tests, thus demonstrating the efficacy of interatomic contact areas in estimating protein structure quality. The software implementation of VoroMQA is freely available as a standalone application and as a web server at http://bioinformatics.lt/software/voromqa. Proteins 2017; 85:1131-1145. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  2. Thermal conductance of suspended nanoribbons: interplay between strain and interatomic potential nonlinearity

    Science.gov (United States)

    Barreto, Roberto; Florencia Carusela, M.; Monastra, Alejandro G.

    2017-10-01

    We investigate the role that nonlinearity in the interatomic potential has on the thermal conductance of a suspended nanoribbon when it is subjected to a longitudinal strain. To focus on the first cubic and quartic nonlinear terms of a general potential, we propose an atomic system based on an α-β Fermi-Pasta-Ulam nearest neighbor interaction. We perform classical molecular dynamics simulations to investigate the contribution of longitudinal, transversal and flexural modes to the thermal conductance as a function of the α-β parameters and the applied strain. We compare the cases where atoms are allowed to vibrate only in plane (2D) with the case of vibrations in and out of plane (3D). We find that the dependence of conductance on α and β relies on a crossover phenomenon between linear/nonlinear delocalized/localized flexural and transversal modes, driven by an on/off switch of the strain.

  3. The effect of interatomic potential in molecular dynamics simulation of low energy ion implantation

    International Nuclear Information System (INIS)

    Chan, H.Y.; Nordlund, K.; Peltola, J.; Gossmann, H.-J.L.; Ma, N.L.; Srinivasan, M.P.; Benistant, F.; Chan, Lap

    2005-01-01

    Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV implantation using MD and investigate the effect of different interatomic potentials on the range profiles. As an approximation, only pair potentials are considered in this work. Density Functional Theory (DFT) is used to calculate the pair potentials for a wide range of dopants (B, C, N, F, Si, P, Ga, Ge, As, In and Sb) in single crystalline silicon. A commonly used repulsive potential is also included in the study. Importance of the repulsive and attractive regions of the potential has been investigated with different elements and we show that a potential depicting the right attractive forces is especially important for heavy elements at low energies

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

    Science.gov (United States)

    Moriarty, John A.

    1988-08-01

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

  5. Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo

    Science.gov (United States)

    Motta, Mario; Zhang, Shiwei

    2018-05-01

    We propose an algorithm for accurate, systematic, and scalable computation of interatomic forces within the auxiliary-field quantum Monte Carlo (AFQMC) method. The algorithm relies on the Hellmann-Feynman theorem and incorporates Pulay corrections in the presence of atomic orbital basis sets. We benchmark the method for small molecules by comparing the computed forces with the derivatives of the AFQMC potential energy surface and by direct comparison with other quantum chemistry methods. We then perform geometry optimizations using the steepest descent algorithm in larger molecules. With realistic basis sets, we obtain equilibrium geometries in agreement, within statistical error bars, with experimental values. The increase in computational cost for computing forces in this approach is only a small prefactor over that of calculating the total energy. This paves the way for a general and efficient approach for geometry optimization and molecular dynamics within AFQMC.

  6. Interatomic forces and bonding mechanisms in MgO clusters

    International Nuclear Information System (INIS)

    Wright, N.F.; Painter, G.S.

    1990-01-01

    We report results from a first-principles local spin density quantum mechanical study of the energetics and elastic properties of a series of magnesium-oxygen clusters of various morphologies. The role of quantum effects, e.g. covalency, in the bonding character of diatomic MgO is determined by comparison of classical and quantum restoring force curves. The dependence of binding properties on geometry and metal to oxygen ratio is determined by comparison of binding energy curves for a series of clusters. Results show that while gross features of the binding curves may be represented by simple interatomic potentials, details require the many body corrections of a full quantum treatment. 6 refs., 5 figs

  7. Extending the accuracy of the SNAP interatomic potential form

    Science.gov (United States)

    Wood, Mitchell A.; Thompson, Aidan P.

    2018-06-01

    The Spectral Neighbor Analysis Potential (SNAP) is a classical interatomic potential that expresses the energy of each atom as a linear function of selected bispectrum components of the neighbor atoms. An extension of the SNAP form is proposed that includes quadratic terms in the bispectrum components. The extension is shown to provide a large increase in accuracy relative to the linear form, while incurring only a modest increase in computational cost. The mathematical structure of the quadratic SNAP form is similar to the embedded atom method (EAM), with the SNAP bispectrum components serving as counterparts to the two-body density functions in EAM. The effectiveness of the new form is demonstrated using an extensive set of training data for tantalum structures. Similar to artificial neural network potentials, the quadratic SNAP form requires substantially more training data in order to prevent overfitting. The quality of this new potential form is measured through a robust cross-validation analysis.

  8. Atomistic simulations of materials: Methods for accurate potentials and realistic time scales

    Science.gov (United States)

    Tiwary, Pratyush

    This thesis deals with achieving more realistic atomistic simulations of materials, by developing accurate and robust force-fields, and algorithms for practical time scales. I develop a formalism for generating interatomic potentials for simulating atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high-energy collisions. This is done by fitting against an extensive database of ab initio results, as well as to experimental measurements for mixed oxide nuclear fuels. The applicability of these interactions to a variety of mixed environments beyond the fitting domain is also assessed. The employed formalism makes these potentials applicable across all interatomic distances without the need for any ambiguous splining to the well-established short-range Ziegler-Biersack-Littmark universal pair potential. We expect these to be reliable potentials for carrying out damage simulations (and molecular dynamics simulations in general) in nuclear fuels of varying compositions for all relevant atomic collision energies. A hybrid stochastic and deterministic algorithm is proposed that while maintaining fully atomistic resolution, allows one to achieve milliseconds and longer time scales for several thousands of atoms. The method exploits the rare event nature of the dynamics like other such methods, but goes beyond them by (i) not having to pick a scheme for biasing the energy landscape, (ii) providing control on the accuracy of the boosted time scale, (iii) not assuming any harmonic transition state theory (HTST), and (iv) not having to identify collective coordinates or interesting degrees of freedom. The method is validated by calculating diffusion constants for vacancy-mediated diffusion in iron metal at low temperatures, and comparing against brute-force high temperature molecular dynamics. We also calculate diffusion constants for vacancy diffusion in tantalum metal, where we compare against low-temperature HTST as well

  9. Interplay of intra-atomic and interatomic effects: An investigation of the 2p core level spectra of atomic Fe and molecular FeCl2

    International Nuclear Information System (INIS)

    Richter, T.; Wolff, T.; Zimmermann, P.; Godehusen, K.; Martins, M.

    2004-01-01

    The 2p photoabsorption and photoelectron spectra of atomic Fe and molecular FeCl 2 were studied by photoion and photoelectron spectroscopy using monochromatized synchrotron radiation and atomic or molecular beam technique. The atomic spectra were analyzed with configuration interaction calculations yielding excellent agreement between experiment and theory. For the analysis of the molecular photoelectron spectrum which shows pronounced interatomic effects, a charge transfer model was used, introducing an additional 3d 7 configuration. The resulting good agreement between the experimental and theoretical spectrum and the remarkable similarity of the molecular with the corresponding spectrum in the solid phase opens a way to a better understanding of the interplay of the interatomic and intra-atomic interactions in the 2p core level spectra of the 3d metal compounds

  10. Realistic non-local potentials from inverse scattering theory for the3S1−3D1nucleon-nucleon interaction

    Directory of Open Access Journals (Sweden)

    P.H.L. Groenenboom

    1978-03-01

    Full Text Available Rank-three and -four separable3S1−3D1potentials have been constructed which reproduce the experimental phase shifts and a realistic deuteron wave function. The off-shell behaviour has been investigated and triton binding energies were calculated.

  11. On macromolecular refinement at subatomic resolution with interatomic scatterers

    Energy Technology Data Exchange (ETDEWEB)

    Afonine, Pavel V., E-mail: pafonine@lbl.gov; Grosse-Kunstleve, Ralf W.; Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Lunin, Vladimir Y. [Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino 142290 (Russian Federation); Urzhumtsev, Alexandre [IGMBC, 1 Rue L. Fries, 67404 Illkirch and IBMC, 15 Rue R. Descartes, 67084 Strasbourg (France); Faculty of Sciences, Nancy University, 54506 Vandoeuvre-lès-Nancy (France); Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States)

    2007-11-01

    Modelling deformation electron density using interatomic scatters is simpler than multipolar methods, produces comparable results at subatomic resolution and can easily be applied to macromolecules. A study of the accurate electron-density distribution in molecular crystals at subatomic resolution (better than ∼1.0 Å) requires more detailed models than those based on independent spherical atoms. A tool that is conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8–1.0 Å, the number of experimental data is insufficient for full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented by additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark data sets gave results that were comparable in quality with the results of multipolar refinement and superior to those for conventional models. Applications to several data sets of both small molecules and macromolecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package.

  12. Multipole expansion of the retarded interatomic dispersion energy: derivation from quantum electrodynamics

    NARCIS (Netherlands)

    Michels, M.A.J.; Suttorp, L.G.

    1972-01-01

    The multipole expansion of the retarded dispersion energy of two atoms in nondegenerate ground states is derived. The result shows that multipoles of different order may give rise to dispersion energies varying in the same way for large interatomic separations.

  13. Kuhn: Realist or Antirealist?

    Directory of Open Access Journals (Sweden)

    Michel Ghins

    1998-06-01

    Full Text Available Although Kuhn is much more an antirealist than a realist, the earlier and later articulations of realist and antirealist ingredients in his views merit close scrutiny. What are the constituents of the real invariant World posited by Kuhn and its relation to the mutable paradigm-related worlds? Various proposed solutions to this problem (dubbed the "new-world problem" by Ian Hacking are examined and shown to be unsatisfactory. In The Structure of Scientific Revolutions, the stable World can reasonably be taken to be made up of ordinary perceived objects, whereas in Kuhn's later works the transparadigmatic World is identified with something akin to the Kantian world-in-itself. It is argued that both proposals are beset with insuperable difficulties which render Kuhn's earlier and later versions of antirealism implausible.

  14. Realistic Material Appearance Modelling

    Czech Academy of Sciences Publication Activity Database

    Haindl, Michal; Filip, Jiří; Hatka, Martin

    2010-01-01

    Roč. 2010, č. 81 (2010), s. 13-14 ISSN 0926-4981 R&D Projects: GA ČR GA102/08/0593 Institutional research plan: CEZ:AV0Z10750506 Keywords : bidirectional texture function * texture modelling Subject RIV: BD - Theory of Information http:// library .utia.cas.cz/separaty/2010/RO/haindl-realistic material appearance modelling.pdf

  15. Size-dependent disproportionation (in 2-20 nm regime) and hybrid Bond Valence derived interatomic potentials for BaTaO2N

    Science.gov (United States)

    Anbalagan, Kousika; Thomas, Tiju

    2018-05-01

    Interatomic potentials for complex materials (like ceramic systems) are important for realistic molecular dynamics (MD) simulations. Such simulations are relevant for understanding equilibrium, transport and dynamical properties of materials, especially in the nanoregime. Here we derive a hybrid interatomic potential (based on bond valence (BV) derived Morse and Coulomb terms), for modeling a complex ceramic, barium tantalum oxynitride (BaTaO2N). This material has been chosen due to its relevance for capacitive and photoactive applications. However, the material presents processing challenges such as the emergence of non-stoichiometric phases during processing, demonstrating complex processing-property correlations. This makes MD investigations of this material both scientifically and technologically relevant. The BV based hybrid potential presented here has been used for simulating sintering of BaTaO2N nanoparticles ( 2-20 nm) under different conditions (using the relevant canonical ensemble). Notably, we show that sintering of particles of diameter 10 nm in size results in the formation of a cluster of tantalum and oxygen atoms at the interface of the BaTaO2N particles. This is in agreement with the experimental reports. The results presented here suggest that the potential proposed can be used to explore dynamical properties of BaTaO2N and related systems. This work will also open avenues for development of nanoscience-enabled aid-free sintering approaches to this and related materials.

  16. A novel proof of the DFT formula for the interatomic force field of Molecular Dynamics

    International Nuclear Information System (INIS)

    Morante, S.; Rossi, G.C.

    2017-01-01

    We give a novel and simple proof of the DFT expression for the interatomic force field that drives the motion of atoms in classical Molecular Dynamics, based on the observation that the ground state electronic energy, seen as a functional of the external potential, is the Legendre transform of the Hohenberg–Kohn functional, which in turn is a functional of the electronic density. We show in this way that the so-called Hellmann–Feynman analytical formula, currently used in numerical simulations, actually provides the exact expression of the interatomic force.

  17. A novel proof of the DFT formula for the interatomic force field of Molecular Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Morante, S., E-mail: morante@roma2.infn.it [Dipartimento di Fisica, Università di Roma, “ Tor Vergata ”, INFN, Sezione di Roma 2, Via della Ricerca Scientifica - 00133 Roma (Italy); Rossi, G.C., E-mail: rossig@roma2.infn.it [Dipartimento di Fisica, Università di Roma, “ Tor Vergata ”, INFN, Sezione di Roma 2, Via della Ricerca Scientifica - 00133 Roma (Italy); Centro Fermi-Museo Storico della Fisica e Centro Studi e Ricerche E. Fermi, Compendio del Viminale, Piazza del Viminale 1, I-00184 Rome (Italy)

    2017-02-15

    We give a novel and simple proof of the DFT expression for the interatomic force field that drives the motion of atoms in classical Molecular Dynamics, based on the observation that the ground state electronic energy, seen as a functional of the external potential, is the Legendre transform of the Hohenberg–Kohn functional, which in turn is a functional of the electronic density. We show in this way that the so-called Hellmann–Feynman analytical formula, currently used in numerical simulations, actually provides the exact expression of the interatomic force.

  18. Interatomic potential to predict the favored and optimized compositions for ternary Cu-Zr-Hf metallic glasses

    International Nuclear Information System (INIS)

    Luo, S. Y.; Cui, Y. Y.; Dai, Y.; Li, J. H.; Liu, B. X.

    2012-01-01

    Under the framework of smoothed and long range second-moment approximation of tight-binding, a realistic interatomic potential was first constructed for the Cu-Zr-Hf ternary metal system. Applying the constructed potential, Monte Carlo simulations were carried out to compare the relative stability of crystalline solid solution versus its disordered counterpart over the entire composition triangle of the system (as a function of alloy composition). Simulations not only reveal that the origin of metallic glass formation but also determine, in the composition triangle, a quadrilateral region, within which metallic glass formation is energetically favored. It is proposed to define the energy differences between the crystalline solid solutions and disordered states as the driving force for amorphization and the corresponding calculations pinpoint an optimized composition locating at an composition of Cu 55 Zr 10 Hf 35 , around which the driving force for metallic glass formation reaches its maximum, suggesting that the ternary Cu-Zr-Hf metallic glasses designed to have the compositions around Cu 55 Zr 10 Hf 35 could be more stable than other alloys in the system. Moreover, for the Cu 55 Zr 10 Hf 35 metallic glass, the Voronoi tessellation calculations reveal some interesting features of its atomic configurations and coordination polyhedra distribution.

  19. Getting realistic; Endstation Demut

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, J.P.

    2004-01-28

    The fuel cell hype of the turn of the millenium has reached its end. The industry is getting realistic. If at all, fuel cell systems for private single-family and multiple dwellings will not be available until the next decade. With a Europe-wide field test, Vaillant intends to advance the PEM technology. [German] Der Brennstoffzellen-Hype der Jahrtausendwende ist verfolgen. Die Branche uebt sich in Bescheidenheit. Die Marktreife der Systeme fuer Ein- und Mehrfamilienhaeuser wird - wenn ueberhaupt - wohl erst im naechsten Jahrzehnt erreicht sein. Vaillant will durch einen europaweiten Feldtest die Entwicklung der PEM-Technologie vorantreiben. (orig.)

  20. An atomic string model for a screw dislocation in iron: Implications for the development of interatomic potentials

    International Nuclear Information System (INIS)

    Gilbert, M.R.; Dudarev, S.L.; Chiesa, S.; Derlet, P.M.

    2009-01-01

    Thermally activated motion of screw dislocations is the rate-determining mechanism for plastic deformation and fracture of body centred cubic (bcc) metals and alloys. Recent experimental observations by S.G. Roberts' group at Oxford showed that ductile-brittle behaviour of bcc vanadium, tungsten, pure iron, and iron-chromium alloys is controlled by an Arrhenius process in which the energy for thermal activation is proportional to the formation energy for a double kink on a b= 1/2 screw dislocation, where b is the Burgers vector of the dislocation. Interpreting these experimental observations and extending the analysis to the case of irradiated materials requires developing a full quantitative treatment for perfect and kinked screw dislocations. Modelling screw dislocations also presents a challenge for the development of interatomic potentials. Recent density functional theory (DFT) calculations have revealed that the ground-state structure of the core of screw dislocations in all the bcc transition metals is non-degenerate and symmetric, whereas inter-atomic potentials used in molecular dynamics simulations for these metals often predict a degenerate, symmetry-broken core-structure. In this work we show how, by treating the structure of a screw dislocation within a multistring Frenkel-Kontorova model, we can develop a criterion that guarantees the correct symmetric core of the dislocation. Extending this treatment, we find a systematic recipe for constructing Finnis-Sinclair-type potentials that are able, as a matter of routine, produce non-degenerate core structures of 1/2 screw dislocations. Modelling thermally activated mobility of screw dislocations also requires that the transition pathway between stable core positions of a dislocation is accurately reproduced. DFT data indicates that the shape of the 'Peierls energy barrier' is a single-hump curve, including transitional configurations close to the so-called 'hard' structure. Interatomic potentials have, up

  1. Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method

    NARCIS (Netherlands)

    Stjernschantz, E.M.; Marelius, J.; Medina, C.; Jacobsson, M.; Vermeulen, N.P.E.; Oostenbrink, C.

    2006-01-01

    An extensive evaluation of the linear interaction energy (LIE) method for the prediction of binding affinity of docked compounds has been performed, with an emphasis on its applicability in lead optimization. An automated setup is presented, which allows for the use of the method in an industrial

  2. Realistic Basis and Revolutionary Implication of Marx's Theory of Social Interaction%马克思社会交往理论的现实基础与革命意蕴

    Institute of Scientific and Technical Information of China (English)

    辛勤

    2014-01-01

    传统思想家对社会交往的探讨,遵循“抽象的人”的解释路径;马克思探讨“现实的人”及其进行的物质生产活动,彻底颠覆了以往解释传统并开创了社会交往理论,为研究人们的社会交往找到了现实基础。生产力的发展推动社会交往逐渐走向普遍化,社会交往的世界历史意义与革命意蕴随之呈现出来。%Discussion of the social interaction for the traditional thinkers followed the"abstract man"explanation path. Marx explored the"real concerning man"and his material production activities.He overturned the traditional interpreta-tion of the past and created a social interaction theory,which found a realistic foundation for the study of people's social interactions.The development of the productive forces gradually promoted the universalization of social interaction,the historical significance and revolutionary implication in social interaction presented.

  3. A gradient approximation for calculating Debye temperatures from pairwise interatomic potentials

    International Nuclear Information System (INIS)

    Jackson, D.P.

    1975-09-01

    A simple gradient approximation is given for calculating the effective Debye temperature of a cubic crystal from central pairwise interatomic potentials. For examples of the Morse potential applied to cubic metals the results are in generally good agreement with experiment. (author)

  4. Low-wave number analysis of observations and ensemble forecasts to develop metrics for the selection of most realistic members to study multi-scale interactions between the environment and the convective organization of hurricanes: Focus on Rapid Intensification

    Science.gov (United States)

    Hristova-Veleva, S. M.; Chen, H.; Gopalakrishnan, S.; Haddad, Z. S.

    2017-12-01

    Tropical cyclones (TCs) are the product of complex multi-scale processes and interactions. The role of the environment has long been recognized. However, recent research has shown that convective-scale processes in the hurricane core might also play a crucial role in determining TCs intensity and size. Several studies have linked Rapid Intensification to the characteristics of the convective clouds (shallow versus deep), their organization (isolated versus wide-spread) and their location with respect to dynamical controls (the vertical shear, the radius of maximum wind). Yet a third set of controls signifies the interaction between the storm-scale and large-scale processes. Our goal is to use observations and models to advance the still-lacking understanding of these processes. Recently, hurricane models have improved significantly. However, deterministic forecasts have limitations due to the uncertainty in the representation of the physical processes and initial conditions. A crucial step forward is the use of high-resolution ensembles. We adopt the following approach: i) generate a high resolution ensemble forecast using HWRF; ii) produce synthetic data (e.g. brightness temperature) from the model fields for direct comparison to satellite observations; iii) develop metrics to allow us to sub-select the realistic members of the ensemble, based on objective measures of the similarity between observed and forecasted structures; iv) for these most-realistic members, determine the skill in forecasting TCs to provide"guidance on guidance"; v) use the members with the best predictive skill to untangle the complex multi-scale interactions. We will report on the first three goals of our research, using forecasts and observations of hurricane Edouard (2014), focusing on RI. We will focus on describing the metrics for the selection of the most appropriate ensemble members, based on applying low-wave number analysis (WNA - Hristova-Veleva et al., 2016) to the observed and

  5. Separable expansion for realistic multichannel scattering problems

    International Nuclear Information System (INIS)

    Canton, L.; Cattapan, G.; Pisent, G.

    1987-01-01

    A new approach to the multichannel scattering problem with realistic local or nonlocal interactions is developed. By employing the negative-energy solutions of uncoupled Sturmian eigenvalue problems referring to simple auxiliary potentials, the coupling interactions appearing to the original multichannel problem are approximated by finite-rank potentials. By resorting to integral-equation tecniques the coupled-channel equations are then reduced to linear algebraic equations which can be straightforwardly solved. Compact algebraic expressions for the relevant scattering matrix elements are thus obtained. The convergence of the method is tasted in the single-channel case with realistic optical potentials. Excellent agreement is obtained with a few terms in the separable expansion for both real and absorptive interactions

  6. Interatomic decay of inner-valence ionized states in ArXe clusters: Relativistic approach

    International Nuclear Information System (INIS)

    Fasshauer, Elke; Pernpointner, Markus; Gokhberg, Kirill

    2013-01-01

    In this work we investigate interatomic electronic decay processes taking place in mixed argon-xenon clusters upon the inner-valence ionization of an argon center. We demonstrate that both interatomic Coulombic decay and electron-transfer mediated decay (ETMD) are important in larger rare gas clusters as opposed to dimers. Calculated secondary electron spectra are shown to depend strongly on the spin-orbit coupling in the final states of the decay as well as the presence of polarizable environment. It follows from our calculations that ETMD is a pure interface process taking place between the argon-xenon layers. The interplay of all these effects is investigated in order to arrive at a suitable physical model for the decay of inner-valence vacancies taking place in mixed ArXe clusters.

  7. Triangulating and guarding realistic polygons

    NARCIS (Netherlands)

    Aloupis, G.; Bose, P.; Dujmovic, V.; Gray, C.M.; Langerman, S.; Speckmann, B.

    2014-01-01

    We propose a new model of realistic input: k-guardable objects. An object is k-guardable if its boundary can be seen by k guards. We show that k-guardable polygons generalize two previously identified classes of realistic input. Following this, we give two simple algorithms for triangulating

  8. Facilitating the selection and creation of accurate interatomic potentials with robust tools and characterization

    Science.gov (United States)

    Trautt, Zachary T.; Tavazza, Francesca; Becker, Chandler A.

    2015-10-01

    The Materials Genome Initiative seeks to significantly decrease the cost and time of development and integration of new materials. Within the domain of atomistic simulations, several roadblocks stand in the way of reaching this goal. While the NIST Interatomic Potentials Repository hosts numerous interatomic potentials (force fields), researchers cannot immediately determine the best choice(s) for their use case. Researchers developing new potentials, specifically those in restricted environments, lack a comprehensive portfolio of efficient tools capable of calculating and archiving the properties of their potentials. This paper elucidates one solution to these problems, which uses Python-based scripts that are suitable for rapid property evaluation and human knowledge transfer. Calculation results are visible on the repository website, which reduces the time required to select an interatomic potential for a specific use case. Furthermore, property evaluation scripts are being integrated with modern platforms to improve discoverability and access of materials property data. To demonstrate these scripts and features, we will discuss the automation of stacking fault energy calculations and their application to additional elements. While the calculation methodology was developed previously, we are using it here as a case study in simulation automation and property calculations. We demonstrate how the use of Python scripts allows for rapid calculation in a more easily managed way where the calculations can be modified, and the results presented in user-friendly and concise ways. Additionally, the methods can be incorporated into other efforts, such as openKIM.

  9. Evidence of sequential interatomic decay in argon trimers obtained by electron-triple-ion coincidence spectroscopy

    International Nuclear Information System (INIS)

    Liu, X-J; Saito, N; Fukuzawa, H; Morishita, Y; Stoychev, S; Kuleff, A; Suzuki, I H; Tamenori, Y; Richter, R; Pruemper, G; Ueda, K

    2007-01-01

    Sequential interatomic decay, where the first step is an Auger decay with interatomic character and the second step is a pure interatomic Coulombic decay (ICD), is identified in Ar trimers Ar 3 . The 2p hole state in Ar 3 decays via the L 2,3 M 1 M 2,3 Auger to the one-site two-hole states Ar ++ (3s -1 3p -1 )-Ar-Ar that couples to the two-site satellite states Ar + (3p -2 nl)-Ar + (3p -1 )-Ar. These states are subject to ICD to the states Ar + (3p -1 )-Ar + (3p -1 )-Ar + (3p -1 ), in which the nl electron fills the 3p hole in the same Ar site and one of the 3p electrons in the third Ar site is emitted as a slow ICD electron. This ICD process is identified unambiguously by electron-ion-ion-ion coincidence spectroscopy in which the kinetic energy of the slow ICD electron and the kinetic energy release among the three Ar + ions are measured in coincidence. (fast track communication)

  10. Development of an inter-atomic potential for the Pd-H binary system.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A.; Hoyt, Jeffrey John (McMaster University, Hamilton, Ontario, Canada); Leonard, Francois Leonard; Griffin, Joshua D.; Zhou, Xiao Wang

    2007-09-01

    Ongoing research at Sandia National Laboratories has been in the area of developing models and simulation methods that can be used to uncover and illuminate the material defects created during He bubble growth in aging bulk metal tritides. Previous efforts have used molecular dynamics calculations to examine the physical mechanisms by which growing He bubbles in a Pd metal lattice create material defects. However, these efforts focused only on the growth of He bubbles in pure Pd and not on bubble growth in the material of interest, palladium tritide (PdT), or its non-radioactive isotope palladium hydride (PdH). The reason for this is that existing inter-atomic potentials do not adequately describe the thermodynamics of the Pd-H system, which includes a miscibility gap that leads to phase separation of the dilute (alpha) and concentrated (beta) alloys of H in Pd at room temperature. This document will report the results of research to either find or develop inter-atomic potentials for the Pd-H and Pd-T systems, including our efforts to use experimental data and density functional theory calculations to create an inter-atomic potential for this unique metal alloy system.

  11. Facilitating the selection and creation of accurate interatomic potentials with robust tools and characterization

    International Nuclear Information System (INIS)

    Trautt, Zachary T; Tavazza, Francesca; Becker, Chandler A

    2015-01-01

    The Materials Genome Initiative seeks to significantly decrease the cost and time of development and integration of new materials. Within the domain of atomistic simulations, several roadblocks stand in the way of reaching this goal. While the NIST Interatomic Potentials Repository hosts numerous interatomic potentials (force fields), researchers cannot immediately determine the best choice(s) for their use case. Researchers developing new potentials, specifically those in restricted environments, lack a comprehensive portfolio of efficient tools capable of calculating and archiving the properties of their potentials. This paper elucidates one solution to these problems, which uses Python-based scripts that are suitable for rapid property evaluation and human knowledge transfer. Calculation results are visible on the repository website, which reduces the time required to select an interatomic potential for a specific use case. Furthermore, property evaluation scripts are being integrated with modern platforms to improve discoverability and access of materials property data. To demonstrate these scripts and features, we will discuss the automation of stacking fault energy calculations and their application to additional elements. While the calculation methodology was developed previously, we are using it here as a case study in simulation automation and property calculations. We demonstrate how the use of Python scripts allows for rapid calculation in a more easily managed way where the calculations can be modified, and the results presented in user-friendly and concise ways. Additionally, the methods can be incorporated into other efforts, such as openKIM. (paper)

  12. An interatomic potential model for carbonates allowing for polarization effects

    International Nuclear Information System (INIS)

    Birse, S.E.A.; Archer, T.D.; Dove, Martin T.; Cygan, Randall Timothy; Gale, Julian D.; Redern, Simon A.T.

    2003-01-01

    An empirical model for investigating the behavior of CaCO 3 polymorphs incorporating a shell model for oxygen has been created. The model was constructed by fitting to: the structure of aragonite and calcite; their elastic, static and high-frequency dielectric constants; phonon frequencies at the wave vectors (1/2 0 2) and (0 0 0) of calcite; and vibrational frequencies of the carbonate deformation modes of calcite. The high-pressure phase transition between calcite I and II is observed. The potentials for the CO 3 group were transferred to other carbonates, by refitting the interaction between CO 3 and the cation to both the experimental structures and their bulk modulus, creating a set of potentials for calculating the properties of a wide range of carbonate materials. Defect energies of substitutional cation defects were analyzed for calcite and aragonite phases. The results were rationalized by studying the structure of calcite and aragonite in greater detail.

  13. Realistic Visualization of Virtual Views

    DEFF Research Database (Denmark)

    Livatino, Salvatore

    2005-01-01

    that can be impractical and sometime impossible. In addition, the artificial nature of data often makes visualized virtual scenarios not realistic enough. Not realistic in the sense that a synthetic scene is easy to discriminate visually from a natural scene. A new field of research has consequently...... developed and received much attention in recent years: Realistic Virtual View Synthesis. The main goal is a high fidelity representation of virtual scenarios while easing modeling and physical phenomena simulation. In particular, realism is achieved by the transfer to the novel view of all the physical...... phenomena captured in the reference photographs, (i.e. the transfer of photographic-realism). An overview of most prominent approaches in realistic virtual view synthesis will be presented and briefly discussed. Applications of proposed methods to visual survey, virtual cinematography, as well as mobile...

  14. Generating realistic images using Kray

    Science.gov (United States)

    Tanski, Grzegorz

    2004-07-01

    Kray is an application for creating realistic images. It is written in C++ programming language, has a text-based interface, solves global illumination problem using techniques such as radiosity, path tracing and photon mapping.

  15. Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

    Energy Technology Data Exchange (ETDEWEB)

    Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

    2016-12-15

    High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

  16. Any realistic theory must be computationally realistic: a response to N. Gisin's definition of a Realistic Physics Theory

    OpenAIRE

    Bolotin, Arkady

    2014-01-01

    It is argued that the recent definition of a realistic physics theory by N. Gisin cannot be considered comprehensive unless it is supplemented with requirement that any realistic theory must be computationally realistic as well.

  17. A W−Ne interatomic potential for simulation of neon implantation in tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Backman, Marie; Juslin, Niklas; Huang, Guiyang [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996-2300 (United States); Wirth, Brian D., E-mail: bdwirth@utk.edu [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996-2300 (United States); P.O. Box 2008, MS-6003, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2016-08-15

    An interatomic pair potential for W−Ne is developed for atomistic molecular dynamics simulations of neon implantation in tungsten. The new potential predicts point defect energies and binding energies of small clusters that are in good agreement with electronic structure calculations. Molecular dynamics simulations of small neon clusters in tungsten show that trap mutation, in which an interstitial neon cluster displaces a tungsten atom from its lattice site, occurs for clusters of three or more neon atoms. However, near a free surface, trap mutation can occur at smaller sizes, including even a single neon interstitial in close proximity to a (100) or (110) surface.

  18. Development of an empirical interatomic potential for the Ag–Ti system

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Ying, E-mail: y.zhou3@lboro.ac.uk [Department of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Smith, Roger [Department of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Kenny, Steven D. [Department of Materials, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Lloyd, Adam L. [Department of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom)

    2017-02-15

    Highlights: • A new modified embedded-atom method interatomic potential for Ag and Ti was developed. • Binding energies for various configurations were calculated using SIESTA and were used as the fitting target. • Two mixing rules for the embedded-atom method based on the same elemental potentials were also investigated. • The results showed that the MEAM with the optimised parameters gives the best agreement to the DFT results. - Abstract: Two interatomic potential mixing rules for the Ti–Ag system were investigated based on the embedded-atom method (EAM) elemental potentials. First principles calculations were performed using SIESTA for various configurations of the Ti–Ag system to see which model best fitted the ab initio results. The results showed that the surface energies, especially that of Ti, were not well fitted by either model and the surface binding energies differed from the ab initio calculations. As a result, the modified embedded-atom method (MEAM) was investigated. In contrast to the other models, surface energies for pure Ti calculated by MEAM were in good agreement with the experimental data and the ab initio results. The MEAM mixing rule was used to investigate Ag ad-atoms on Ti and Ti ad-atoms on Ag. The results showed good agreement with SIESTA after parameter optimisation.

  19. Temperature dependence in interatomic potentials and an improved potential for Ti

    International Nuclear Information System (INIS)

    Ackland, G J

    2012-01-01

    The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic potentials which are used in molecular dynamics, as a model for the forces on a system. These forces should be the derivative of the free energy of the electronic system, which includes contributions from the entropy of the electronic states. This free energy is weakly temperature dependent, and although this can be safely neglected in many cases there are some systems where the electronic entropy plays a significant role. Here a method is proposed to incorporate electronic entropy in the Sommerfeld approximation into empirical potentials. The method is applied as a correction to an existing potential for titanium. Thermal properties of the new model are calculated, and a simple method for fixing the melting point and solid-solid phase transition temperature for existing models fitted to zero temperature data is presented.

  20. Collision kernels in the eikonal approximation for Lennard-Jones interaction potential

    International Nuclear Information System (INIS)

    Zielinska, S.

    1985-03-01

    The velocity changing collisions are conveniently described by collisional kernels. These kernels depend on an interaction potential and there is a necessity for evaluating them for realistic interatomic potentials. Using the collision kernels, we are able to investigate the redistribution of atomic population's caused by the laser light and velocity changing collisions. In this paper we present the method of evaluating the collision kernels in the eikonal approximation. We discuss the influence of the potential parameters Rsub(o)sup(i), epsilonsub(o)sup(i) on kernel width for a given atomic state. It turns out that unlike the collision kernel for the hard sphere model of scattering the Lennard-Jones kernel is not so sensitive to changes of Rsub(o)sup(i) as the previous one. Contrary to the general tendency of approximating collisional kernels by the Gaussian curve, kernels for the Lennard-Jones potential do not exhibit such a behaviour. (author)

  1. Progress in realistic LOCA analysis

    Energy Technology Data Exchange (ETDEWEB)

    Young, M Y; Bajorek, S M; Ohkawa, K [Westinghouse Electric Corporation, Pittsburgh, PA (United States)

    1994-12-31

    While LOCA is a complex transient to simulate, the state of art in thermal hydraulics has advanced sufficiently to allow its realistic prediction and application of advanced methods to actual reactor design as demonstrated by methodology described in this paper 6 refs, 5 figs, 3 tabs

  2. Time management: a realistic approach.

    Science.gov (United States)

    Jackson, Valerie P

    2009-06-01

    Realistic time management and organization plans can improve productivity and the quality of life. However, these skills can be difficult to develop and maintain. The key elements of time management are goals, organization, delegation, and relaxation. The author addresses each of these components and provides suggestions for successful time management.

  3. Triangulating and guarding realistic polygons

    NARCIS (Netherlands)

    Aloupis, G.; Bose, P.; Dujmovic, V.; Gray, C.M.; Langerman, S.; Speckmann, B.

    2008-01-01

    We propose a new model of realistic input: k-guardable objects. An object is k-guardable if its boundary can be seen by k guards in the interior of the object. In this abstract, we describe a simple algorithm for triangulating k-guardable polygons. Our algorithm, which is easily implementable, takes

  4. Should scientific realists be platonists?

    DEFF Research Database (Denmark)

    Busch, Jacob; Morrison, Joe

    2015-01-01

    an appropriate use of the resources of Scientific Realism (in particular, IBE) to achieve platonism? (§2) We argue that just because a variety of different inferential strategies can be employed by Scientific Realists does not mean that ontological conclusions concerning which things we should be Scientific...

  5. Xenon Defects in Uranium Dioxide From First Principles and Interatomic Potentials

    Science.gov (United States)

    Thompson, Alexander

    In this thesis, we examine the defect energetics and migration energies of xenon atoms in uranium dioxide (UO2) from first principles and interatomic potentials. We also parameterize new, accurate interatomic potentials for xenon and uranium dioxide. To achieve accurate energetics and provide a foundation for subsequent calculations, we address difficulties in finding consistent energetics within Hubbard U corrected density functional theory (DFT+U). We propose a method of slowly ramping the U parameter in order to guide the calculation into low energy orbital occupations. We find that this method is successful for a variety of materials. We then examine the defect energetics of several noble gas atoms in UO2 for several different defect sites. We show that the energy to incorporate large noble gas atoms into interstitial sites is so large that it is energetically favorable for a Schottky defect cluster to be created to relieve the strain. We find that, thermodynamically, xenon will rarely ever be in the interstitial site of UO2. To study larger defects associated with the migration of xenon in UO 2, we turn to interatomic potentials. We benchmark several previously published potentials against DFT+U defect energetics and migration barriers. Using a combination of molecular dynamics and nudged elastic band calculations, we find a new, low energy migration pathway for xenon in UO2. We create a new potential for xenon that yields accurate defect energetics. We fit this new potential with a method we call Iterative Potential Refinement that parameterizes potentials to first principles data via a genetic algorithm. The potential finds accurate energetics for defects with relatively low amounts of strain (xenon in defect clusters). It is important to find accurate energetics for these sorts of low-strain defects because they essentially represent small xenon bubbles. Finally, we parameterize a new UO2 potential that simultaneously yields accurate vibrational properties

  6. Realistic rhetoric and legal decision

    Directory of Open Access Journals (Sweden)

    João Maurício Adeodato

    2017-06-01

    Full Text Available The text aims to lay the foundations of a realistic rhetoric, from the descriptive perspective of how the legal decision actually takes place, without normative considerations. Aristotle's rhetorical idealism and its later prestige reduced rhetoric to the art of persuasion, eliminating important elements of sophistry, especially with regard to legal decision. It concludes with a rhetorical perspective of judicial activism in complex societies.

  7. Simple and Realistic Data Generation

    DEFF Research Database (Denmark)

    Pedersen, Kenneth Houkjær; Torp, Kristian; Wind, Rico

    2006-01-01

    This paper presents a generic, DBMS independent, and highly extensible relational data generation tool. The tool can efficiently generate realistic test data for OLTP, OLAP, and data streaming applications. The tool uses a graph model to direct the data generation. This model makes it very simple...... to generate data even for large database schemas with complex inter- and intra table relationships. The model also makes it possible to generate data with very accurate characteristics....

  8. Realist cinema as world cinema

    OpenAIRE

    Nagib, Lucia

    2017-01-01

    The idea that “realism” is the common denominator across the vast range of productions normally labelled as “world cinema” is widespread and seemly uncontroversial. Leaving aside oppositional binaries that define world cinema as the other of Hollywood or of classical cinema, this chapter will test the realist premise by locating it in the mode of production. It will define this mode as an ethics that engages filmmakers, at cinema’s creative peaks, with the physical and historical environment,...

  9. An interatomic potential for studying CuZr bulk metallic glasses

    International Nuclear Information System (INIS)

    Paduraru, A.; Kenoufi, A.; Bailey, N.P.; Schioetz, J.

    2007-01-01

    Glass forming ability has been found in only a small number of binary alloys, one being CuZr. In order to simulate this glass, we fitted an interatomic potential within Effective Medium Theory (EMT). For this purpose we use basic properties of the B2 crystal structure as calculated from Density Functional Theory (DFT) or obtained from experiments. We then performed Molecular Dynamics (MD) simulations of the cooling process and studied the thermodynamics and structure of CuZr glass. We find that the potential gives a good description of the CuZr glass, with a glass transition temperature and elastic constants close to the experimental values. The local atomic order, as witnessed by the radial distribution function, is also consistent with similar experimental data. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  10. Evidence of interatomic Coulombic decay in ArKr after Ar 2p Auger decay

    International Nuclear Information System (INIS)

    Morishita, Y; Saito, N; Suzuki, I H; Fukuzawa, H; Liu, X-J; Sakai, K; Pruemper, G; Ueda, K; Iwayama, H; Nagaya, K; Yao, M; Kreidi, K; Schoeffler, M; Jahnke, T; Schoessler, S; Doerner, R; Weber, T; Harries, J; Tamenori, Y

    2008-01-01

    We have identified interatomic Coulombic decay (ICD) processes in the ArKr dimer following Ar 2p Auger decay, using momentum-resolved electron-ion-ion coincidence spectroscopy and simultaneously determining the kinetic energy of the ICD electron and the KER between Ar 2+ and Kr + . We find that the spin-conserved ICD processes in which Ar 2+ (3p -3 3d) 1 P and 3 P decay to Ar 2+ (3p -2 ) 1 D and 3 P, respectively, ionizing the Kr atom, are significantly stronger than the spin-flip ICD processes in which Ar 2+ (3p -3 3d) 1 P and 3 P decay to Ar 2+ (3p -2 ) 3 P and 1 D, respectively

  11. Interatomic potentials from rainbow scattering of keV noble gas atoms under axial surface channeling

    International Nuclear Information System (INIS)

    Schueller, A.; Wethekam, S.; Mertens, A.; Maass, K.; Winter, H.; Gaertner, K.

    2005-01-01

    For grazing scattering of keV Ne and Ar atoms from a Ag(1 1 1) and a Cu(1 1 1) surface under axial surface channeling conditions we observe well defined peaks in the angular distributions for scattered projectiles. These peaks can be attributed to 'rainbow-scattering' and are closely related to the geometry of potential energy surfaces which can be approximated by the superposition of continuum potentials along strings of atoms in the surface plane. The dependence of rainbow angles on the scattering geometry provides stringent tests on the scattering potentials. From classical trajectory calculations based on universal (ZBL), adjusted Moliere (O'Connor and Biersack), and individual interatomic potentials we obtain corresponding rainbow angles for comparison with the experimental data. We find good overall agreement with the experiments for a description of trajectories based on adjusted Moliere and individual potentials, whereas the agreement is poorer for potentials with ZBL screening

  12. Retrieval of interatomic separations of molecules from laser-induced high-order harmonic spectra

    International Nuclear Information System (INIS)

    Le, Van-Hoang; Nguyen, Ngoc-Ty; Jin, C; Le, Anh-Thu; Lin, C D

    2008-01-01

    We illustrate an iterative method for retrieving the internuclear separations of N 2 , O 2 and CO 2 molecules using the high-order harmonics generated from these molecules by intense infrared laser pulses. We show that accurate results can be retrieved with a small set of harmonics and with one or few alignment angles of the molecules. For linear molecules the internuclear separations can also be retrieved from harmonics generated using isotropically distributed molecules. By extracting the transition dipole moment from the high-order harmonic spectra, we further demonstrated that it is preferable to retrieve the interatomic separation iteratively by fitting the extracted dipole moment. Our results show that time-resolved chemical imaging of molecules using infrared laser pulses with femtosecond temporal resolutions is possible

  13. The role of tungsten in the change of interatomic bond in Nb-W alloy

    International Nuclear Information System (INIS)

    Arkharov, V.I.; Samojlenko, Z.A.; Darovskikh, E.G.

    1982-01-01

    To study the chemical inhomogeneity and the peculiarities in electronic structure of solid solutions in fracture region, the X-ray spectral studies of niobium-tungsten alloys with 0.5; 1.0; 12.0; 13.6; 23.g mass % W have been carried out. The W concentration changes on the fracture and the difference in the electron energy distribution in the 4d-band in comparison between the fracture and mocrosection are determined. The niobium doping with tungsten is shown to be accompanied by the increase in the fraction of locally bound electrons as compared to the collectivized one. Alloys with 12-13% W are the most homogeneous in composition and electrons energy state. This state is characterized by features the increased number of electrons with noncompensated spins in intercrystalline boundaries as compared to a crystallite thickness. These alloys have homogeneous properties in sample microvolumes and large interatomic binding force

  14. Retrieval of interatomic separations of molecules from laser-induced high-order harmonic spectra

    Energy Technology Data Exchange (ETDEWEB)

    Le, Van-Hoang; Nguyen, Ngoc-Ty [Department of Physics, University of Pedagogy, 280 An Duong Vuong, Ward 5, Ho Chi Minh City (Viet Nam); Jin, C; Le, Anh-Thu; Lin, C D [J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS 66506 (United States)

    2008-04-28

    We illustrate an iterative method for retrieving the internuclear separations of N{sub 2}, O{sub 2} and CO{sub 2} molecules using the high-order harmonics generated from these molecules by intense infrared laser pulses. We show that accurate results can be retrieved with a small set of harmonics and with one or few alignment angles of the molecules. For linear molecules the internuclear separations can also be retrieved from harmonics generated using isotropically distributed molecules. By extracting the transition dipole moment from the high-order harmonic spectra, we further demonstrated that it is preferable to retrieve the interatomic separation iteratively by fitting the extracted dipole moment. Our results show that time-resolved chemical imaging of molecules using infrared laser pulses with femtosecond temporal resolutions is possible.

  15. Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

    Directory of Open Access Journals (Sweden)

    Aleksey I. Kochaev

    2017-02-01

    Full Text Available The possibility of metastable existence of planar and non-chiral nanotubular crystalline lattices in the form of Kepler nets of 34324, 3342, and 346 types (the notations are given in Schläfly symbols, using ab initio calculations, has researched. Atoms of P, As, Sb, Bi from 15th group and atoms of S, Se, Te from 16th group of the periodic table were taken into consideration. The lengths of interatomic bonds corresponding to the steadiest states for such were determined. We found that among these new composed structures crystals encountered strong elastic properties. Besides, some of them can possess pyroelectric and piezoelectric properties. Our results can be used for nanoelectronics and nanoelectromechanical devices designing.

  16. Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dharmawardhana, C.C. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Misra, A. [Department of Civil, Environmental, and Architectural Engineering, University of Kansas, Lawrence, KS 66045 (United States); Aryal, S.; Rulis, P. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Ching, W.Y., E-mail: ccdxz8@mail.umkc.edu [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)

    2013-10-15

    Atomic scale properties of calcium silicate hydrate (CSH), the main binding phase of hardened Portland cement, are not well understood. Over a century of intense research has identified almost 50 different crystalline CSH minerals which are mainly categorized by their Ca/Si ratio. The electronic structure and interatomic bonding in four major CSH crystalline phases with structures close to those found in hardened cement are investigated via ab initio methods. Our result reveals the critical role of hydrogen bonding and importance of specifying precise locations for water molecules. Quantitative analysis of contributions from different bond types to the overall cohesion shows that while the Si-O covalent bonds dominate, the hydrogen bonding and Ca-O bonding are also very significant. Calculated results reveal the correlation between bond topology and interlayer cohesion. The overall bond order density (BOD) is found to be a more critical measure than the Ca/Si ratio in classifying different CSH crystals.

  17. Total scattering cross sections and interatomic potentials for neutral hydrogen and helium on some noble gases

    International Nuclear Information System (INIS)

    Ruzic, D.N.; Cohen, S.A.

    1985-04-01

    Measurements of energy-dependent scattering cross sections for 30 to 1800 eV D incident on He, Ne, Ar, and Kr, and for 40 to 850 eV He incident on He, Ar, and Kr are presented. They are determined by using the charge-exchange efflux from the Princeton Large Torus tokamak as a source of D or He. These neutrals are passed through a gas-filled scattering cell and detected by a time-of-flight spectrometer. The cross section for scattering greater than the effective angle of the apparatus (approx. =20 mrad) is found by measuring the energy-dependent attenuation of D or He as a function of pressure in the scattering cell. The interatomic potential is extracted from the data

  18. Collective excitation frequencies and vortices of a Bose-Einstein condensed state with gravitylike interatomic attraction

    International Nuclear Information System (INIS)

    Ghosh, Tarun Kanti

    2002-01-01

    We study the collective excitations of a neutral atomic Bose-Einstein condensate with gravitylike 1/r interatomic attraction induced by an electromagnetic wave. Using the time-dependent variational approach, we derive an analytical spectrum for monopole and quadrupole mode frequencies of a gravitylike self-bound Bose condensed state at zero temperature. We also analyze the excitation frequencies of the Thomas-Fermi-gravity (TF-G) and gravity (G) regimes. Our result agrees excellently with that of Giovanazzi et al. [Europhysics Lett., 56, 1 (2001)], which is obtained within the sum-rule approach. We also consider the vortex state. We estimate the superfluid coherence length and the critical angular frequencies to create a vortex around the z axis. We find that the TF-G regime can exhibit the superfluid properties more prominently than the G regime. We find that the monopole mode frequency of the condensate decreases due to the presence of a vortex

  19. An interatomic potential model for molecular dynamics simulation of silicon etching by Br+-containing plasmas

    International Nuclear Information System (INIS)

    Ohta, H.; Iwakawa, A.; Eriguchi, K.; Ono, K.

    2008-01-01

    An interatomic potential model for Si-Br systems has been developed for performing classical molecular dynamics (MD) simulations. This model enables us to simulate atomic-scale reaction dynamics during Si etching processes by Br + -containing plasmas such as HBr and Br 2 plasmas, which are frequently utilized in state-of-the-art techniques for the fabrication of semiconductor devices. Our potential form is based on the well-known Stillinger-Weber potential function, and the model parameters were systematically determined from a database of potential energies obtained from ab initio quantum-chemical calculations using GAUSSIAN03. For parameter fitting, we propose an improved linear scheme that does not require any complicated nonlinear fitting as that in previous studies [H. Ohta and S. Hamaguchi, J. Chem. Phys. 115, 6679 (2001)]. In this paper, we present the potential derivation and simulation results of bombardment of a Si(100) surface using a monoenergetic Br + beam

  20. Tuukka Kaidesoja on Critical Realist Transcendental Realism

    Directory of Open Access Journals (Sweden)

    Groff Ruth

    2015-09-01

    Full Text Available I argue that critical realists think pretty much what Tukka Kaidesoja says that he himself thinks, but also that Kaidesoja’s objections to the views that he attributes to critical realists are not persuasive.

  1. Cold quantum gases with resonant interactions

    NARCIS (Netherlands)

    Marcelis, B.

    2008-01-01

    We study ultracold gases of alkali-metal atoms in the quantum degenerate regime. The interatomic interactions in these type of systems can be tuned using resonances induced by magnetic or electric fields. The tunability of the interactions, together with the possibility of confining the atoms with

  2. Realistic Real-Time Outdoor Rendering in Augmented Reality

    Science.gov (United States)

    Kolivand, Hoshang; Sunar, Mohd Shahrizal

    2014-01-01

    Realistic rendering techniques of outdoor Augmented Reality (AR) has been an attractive topic since the last two decades considering the sizeable amount of publications in computer graphics. Realistic virtual objects in outdoor rendering AR systems require sophisticated effects such as: shadows, daylight and interactions between sky colours and virtual as well as real objects. A few realistic rendering techniques have been designed to overcome this obstacle, most of which are related to non real-time rendering. However, the problem still remains, especially in outdoor rendering. This paper proposed a much newer, unique technique to achieve realistic real-time outdoor rendering, while taking into account the interaction between sky colours and objects in AR systems with respect to shadows in any specific location, date and time. This approach involves three main phases, which cover different outdoor AR rendering requirements. Firstly, sky colour was generated with respect to the position of the sun. Second step involves the shadow generation algorithm, Z-Partitioning: Gaussian and Fog Shadow Maps (Z-GaF Shadow Maps). Lastly, a technique to integrate sky colours and shadows through its effects on virtual objects in the AR system, is introduced. The experimental results reveal that the proposed technique has significantly improved the realism of real-time outdoor AR rendering, thus solving the problem of realistic AR systems. PMID:25268480

  3. Realistic real-time outdoor rendering in augmented reality.

    Directory of Open Access Journals (Sweden)

    Hoshang Kolivand

    Full Text Available Realistic rendering techniques of outdoor Augmented Reality (AR has been an attractive topic since the last two decades considering the sizeable amount of publications in computer graphics. Realistic virtual objects in outdoor rendering AR systems require sophisticated effects such as: shadows, daylight and interactions between sky colours and virtual as well as real objects. A few realistic rendering techniques have been designed to overcome this obstacle, most of which are related to non real-time rendering. However, the problem still remains, especially in outdoor rendering. This paper proposed a much newer, unique technique to achieve realistic real-time outdoor rendering, while taking into account the interaction between sky colours and objects in AR systems with respect to shadows in any specific location, date and time. This approach involves three main phases, which cover different outdoor AR rendering requirements. Firstly, sky colour was generated with respect to the position of the sun. Second step involves the shadow generation algorithm, Z-Partitioning: Gaussian and Fog Shadow Maps (Z-GaF Shadow Maps. Lastly, a technique to integrate sky colours and shadows through its effects on virtual objects in the AR system, is introduced. The experimental results reveal that the proposed technique has significantly improved the realism of real-time outdoor AR rendering, thus solving the problem of realistic AR systems.

  4. Margin improvement initiatives: realistic approaches

    Energy Technology Data Exchange (ETDEWEB)

    Chan, P.K.; Paquette, S. [Royal Military College of Canada, Chemistry and Chemical Engineering Dept., Kingston, ON (Canada); Cunning, T.A. [Department of National Defence, Ottawa, ON (Canada); French, C.; Bonin, H.W. [Royal Military College of Canada, Chemistry and Chemical Engineering Dept., Kingston, ON (Canada); Pandey, M. [Univ. of Waterloo, Waterloo, ON (Canada); Murchie, M. [Cameco Fuel Manufacturing, Port Hope, ON (Canada)

    2014-07-01

    With reactor core aging, safety margins are particularly tight. Two realistic and practical approaches are proposed here to recover margins. The first project is related to the use of a small amount of neutron absorbers in CANDU Natural Uranium (NU) fuel bundles. Preliminary results indicate that the fuelling transient and subsequent reactivity peak can be lowered to improve the reactor's operating margins, with minimal impact on burnup when less than 1000 mg of absorbers is added to a fuel bundle. The second project involves the statistical analysis of fuel manufacturing data to demonstrate safety margins. Probability distributions are fitted to actual fuel manufacturing datasets provided by Cameco Fuel Manufacturing, Inc. They are used to generate input for ELESTRES and ELOCA. It is found that the fuel response distributions are far below industrial failure limits, implying that margin exists in the current fuel design. (author)

  5. International Management: Creating a More Realistic Global Planning Environment.

    Science.gov (United States)

    Waldron, Darryl G.

    2000-01-01

    Discusses the need for realistic global planning environments in international business education, introducing a strategic planning model that has teams interacting with teams to strategically analyze a selected multinational company. This dynamic process must result in a single integrated written analysis that specifies an optimal strategy for…

  6. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Multiscale Science Dept.; Swiler, Laura P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Optimization and Uncertainty Quantification Dept.; Trott, Christian R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Scalable Algorithms Dept.; Foiles, Stephen M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Computational Materials and Data Science Dept.; Tucker, Garritt J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Computational Materials and Data Science Dept.; Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering

    2015-03-15

    Here, we present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum.

  7. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, A.P., E-mail: athomps@sandia.gov [Multiscale Science Department, Sandia National Laboratories, PO Box 5800, MS 1322, Albuquerque, NM 87185 (United States); Swiler, L.P., E-mail: lpswile@sandia.gov [Optimization and Uncertainty Quantification Department, Sandia National Laboratories, PO Box 5800, MS 1318, Albuquerque, NM 87185 (United States); Trott, C.R., E-mail: crtrott@sandia.gov [Scalable Algorithms Department, Sandia National Laboratories, PO Box 5800, MS 1322, Albuquerque, NM 87185 (United States); Foiles, S.M., E-mail: foiles@sandia.gov [Computational Materials and Data Science Department, Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, NM 87185 (United States); Tucker, G.J., E-mail: gtucker@coe.drexel.edu [Computational Materials and Data Science Department, Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, NM 87185 (United States); Department of Materials Science and Engineering, Drexel University, Philadelphia, PA 19104 (United States)

    2015-03-15

    We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum.

  8. Low-order moment expansions to tight binding for interatomic potentials: Successes and failures

    International Nuclear Information System (INIS)

    Kress, J.D.; Voter, A.F.

    1995-01-01

    We discuss the use of moment-based approximations to tight binding. Using a maximum entropy form for the electronic density of states, we show that a general interatomic potential can be defined that is suitable for molecular-dynamics simulations and has several other desirable features. For covalent materials (C and Si), properties where the atoms are in equivalent environments are well converged at low-order moments. For defect environments, which offer a more critical (and relevant) test, the method is found to give less satisfactory results. For example, the vacancy formation energy for Si is too low by ∼2 eV at 10 moments relative to exact tight binding. Attempts to improve the accuracy were unsuccessful, leading to the conclusion that potentials based on this approach are inadequate for covalent materials. We speculate that this may be a deficiency of low-order moment methods in general. For metals, in contrast to the covalent systems, we find that the low-order moment approach is better behaved. This finding is consistent with the success of existing empirical fourth-moment potentials for metals

  9. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

    International Nuclear Information System (INIS)

    Thompson, A.P.; Swiler, L.P.; Trott, C.R.; Foiles, S.M.; Tucker, G.J.

    2015-01-01

    We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum

  10. Interatomic Coulombic decay following the Auger decay: Experimental evidence in rare-gas dimers

    International Nuclear Information System (INIS)

    Ueda, K.; Fukuzawa, H.; Liu, X.-J.; Sakai, K.; Pruemper, G.; Morishita, Y.; Saito, N.; Suzuki, I.H.; Nagaya, K.; Iwayama, H.; Yao, M.; Kreidi, K.; Schoeffler, M.; Jahnke, T.; Schoessler, S.; Doerner, R.; Weber, Th.; Harries, J.; Tamenori, Y.

    2008-01-01

    Interatomic Coulombic decay (ICD) in Ar 2 , ArKr and Kr 2 following Ar 2p or Kr 3d Auger decay has been investigated by means of momentum-resolved electron-ion-ion coincidence spectroscopy. This sequential decay leads to Coulombic dissociation into dication and monocation. Simultaneously determining the kinetic energy of the ICD electron and the kinetic energy release between the two atomic ions, we have been able to unambiguously identify the ICD channels. We find that, in general, spin-conserved ICD, in which the singlet (triplet) dicationic state produced via the atomic Auger decay preferentially decays to the singlet (triplet) state, transferring the energy to the other atom, is faster than spin-flip ICD, in which the Auger final singlet (triplet) dicationic state decays to the triplet (singlet) state. However, spin-flip ICD may take place when spin-conserved ICD becomes energetically forbidden. Dipole-forbidden ICDs from Kr 2+ (4s -21 S)-B (B = Ar or Kr) to Kr 2+ (4p -21 D, 3 P)-B + are also observed

  11. Probing the interatomic potential of solids with strong-field nonlinear phononics

    Science.gov (United States)

    von Hoegen, A.; Mankowsky, R.; Fechner, M.; Först, M.; Cavalleri, A.

    2018-03-01

    Nonlinear optical techniques at visible frequencies have long been applied to condensed matter spectroscopy. However, because many important excitations of solids are found at low energies, much can be gained from the extension of nonlinear optics to mid-infrared and terahertz frequencies. For example, the nonlinear excitation of lattice vibrations has enabled the dynamic control of material functions. So far it has only been possible to exploit second-order phonon nonlinearities at terahertz field strengths near one million volts per centimetre. Here we achieve an order-of-magnitude increase in field strength and explore higher-order phonon nonlinearities. We excite up to five harmonics of the A1 (transverse optical) phonon mode in the ferroelectric material lithium niobate. By using ultrashort mid-infrared laser pulses to drive the atoms far from their equilibrium positions, and measuring the large-amplitude atomic trajectories, we can sample the interatomic potential of lithium niobate, providing a benchmark for ab initio calculations for the material. Tomography of the energy surface by high-order nonlinear phononics could benefit many aspects of materials research, including the study of classical and quantum phase transitions.

  12. Interatomic Coulombic electron capture in atomic, molecular, and quantum dot systems

    Directory of Open Access Journals (Sweden)

    Bande Annika

    2015-01-01

    Full Text Available The interatomic Coulombic electron capture (ICEC process has recently been predicted theoretically for clusters of atoms and molecules. For an atom A capturing an electron e(ε it competes with the well known photorecombination, because in an environment of neutral or anionic neighboring atoms B, A can transfer its excess energy in the ultrafast ICEC process to B which is then ionized. The cross section for e(ε + A + B → A− + B+ + e(ε′ has been obtained in an asymptotic approximation based on scattering theory for several clusters [1,2]. It was found that ICEC starts dominating the PR for distances among participating species of nanometers and lower. Therefore, we believe that the ICEC process might be of importance in the atmosphere, in biological systems, plasmas, or in nanostructured materials. As an example for the latter, ICEC has been investigated by means of electron dynamics in a model potential for semiconductor double quantum dots (QDs [3]. In the simplest case one QD captures an electron while the outgoing electron is emitted from the other. The reaction probability for this process was found to be relatively large.

  13. Development of an interatomic EAM type potential for Zr; Desarrollo de un potencial interatomico del tipo EAM para Zr

    Energy Technology Data Exchange (ETDEWEB)

    Pasianot, R C; Monti, A M [Comision Nacional de Energia Atomica, San Martin (Argentina). Unidad de Actividad Materiales

    1997-12-31

    In the present work are developed interatomic potentials of the embedded atom type (EAM) adequate for computer simulation of microstructural defects in the Zr lattice. It is observed that the less repulsive potential agrees better with the experimental data of the self-interstitial relaxation volume and predicts the basal crowdion as the stable configuration, the basal dumbbell having a formation energy slightly higher (0.01 eV). (author). 9 refs., 1 fig., 3 tabs.

  14. Realistic Simulation of Rice Plant

    Directory of Open Access Journals (Sweden)

    Wei-long DING

    2011-09-01

    Full Text Available The existing research results of virtual modeling of rice plant, however, is far from perfect compared to that of other crops due to its complex structure and growth process. Techniques to visually simulate the architecture of rice plant and its growth process are presented based on the analysis of the morphological characteristics at different stages. Firstly, the simulations of geometrical shape, the bending status and the structural distortion of rice leaves are conducted. Then, by using an improved model for bending deformation, the curved patterns of panicle axis and various types of panicle branches are generated, and the spatial shape of rice panicle is therefore created. Parametric L-system is employed to generate its topological structures, and finite-state automaton is adopted to describe the development of geometrical structures. Finally, the computer visualization of three-dimensional morphologies of rice plant at both organ and individual levels is achieved. The experimental results showed that the proposed methods of modeling the three-dimensional shapes of organs and simulating the growth of rice plant are feasible and effective, and the generated three-dimensional images are realistic.

  15. Realistic tissue visualization using photoacoustic image

    Science.gov (United States)

    Cho, Seonghee; Managuli, Ravi; Jeon, Seungwan; Kim, Jeesu; Kim, Chulhong

    2018-02-01

    Visualization methods are very important in biomedical imaging. As a technology that understands life, biomedical imaging has the unique advantage of providing the most intuitive information in the image. This advantage of biomedical imaging can be greatly improved by choosing a special visualization method. This is more complicated in volumetric data. Volume data has the advantage of containing 3D spatial information. Unfortunately, the data itself cannot directly represent the potential value. Because images are always displayed in 2D space, visualization is the key and creates the real value of volume data. However, image processing of 3D data requires complicated algorithms for visualization and high computational burden. Therefore, specialized algorithms and computing optimization are important issues in volume data. Photoacoustic-imaging is a unique imaging modality that can visualize the optical properties of deep tissue. Because the color of the organism is mainly determined by its light absorbing component, photoacoustic data can provide color information of tissue, which is closer to real tissue color. In this research, we developed realistic tissue visualization using acoustic-resolution photoacoustic volume data. To achieve realistic visualization, we designed specialized color transfer function, which depends on the depth of the tissue from the skin. We used direct ray casting method and processed color during computing shader parameter. In the rendering results, we succeeded in obtaining similar texture results from photoacoustic data. The surface reflected rays were visualized in white, and the reflected color from the deep tissue was visualized red like skin tissue. We also implemented the CUDA algorithm in an OpenGL environment for real-time interactive imaging.

  16. Progress in realistic LOCA analysis

    International Nuclear Information System (INIS)

    Young, M.Y.; Bajorek, S.M.; Ohkawa, K.

    2004-01-01

    In 1988 the USNRC revised the ECCS rule contained in Appendix K and Section 50.46 of 10 CFR Part 50, which governs the analysis of the Loss Of Coolant Accident (LOCA). The revised regulation allows the use of realistic computer models to calculate the loss of coolant accident. In addition, the new regulation allows the use of high probability estimates of peak cladding temperature (PCT), rather than upper bound estimates. Prior to this modification, the regulations were a prescriptive set of rules which defined what assumptions must be made about the plant initial conditions and how various physical processes should be modeled. The resulting analyses were highly conservative in their prediction of the performance of the ECCS, and placed tight constraints on core power distributions, ECCS set points and functional requirements, and surveillance and testing. These restrictions, if relaxed, will allow for additional economy, flexibility, and in some cases, improved reliability and safety as well. For example, additional economy and operating flexibility can be achieved by implementing several available core and fuel rod designs to increase fuel discharge burnup and reduce neutron flux on the reactor vessel. The benefits of application of best estimate methods to LOCA analyses have typically been associated with reductions in fuel costs, resulting from optimized fuel designs, or increased revenue from power upratings. Fuel cost savings are relatively easy to quantify, and have been estimated at several millions of dollars per cycle for an individual plant. Best estimate methods are also likely to contribute significantly to reductions in O and M costs, although these reductions are more difficult to quantify. Examples of O and M cost reductions are: 1) Delaying equipment replacement. With best estimate methods, LOCA is no longer a factor in limiting power levels for plants with high tube plugging levels or degraded safety injection systems. If other requirements for

  17. Generating realistic roofs over a rectilinear polygon

    KAUST Repository

    Ahn, Heekap

    2011-01-01

    Given a simple rectilinear polygon P in the xy-plane, a roof over P is a terrain over P whose faces are supported by planes through edges of P that make a dihedral angle π/4 with the xy-plane. In this paper, we introduce realistic roofs by imposing a few additional constraints. We investigate the geometric and combinatorial properties of realistic roofs, and show a connection with the straight skeleton of P. We show that the maximum possible number of distinct realistic roofs over P is ( ⌊(n-4)/4⌋ (n-4)/2) when P has n vertices. We present an algorithm that enumerates a combinatorial representation of each such roof in O(1) time per roof without repetition, after O(n 4) preprocessing time. We also present an O(n 5)-time algorithm for computing a realistic roof with minimum height or volume. © 2011 Springer-Verlag.

  18. Results of recent calculations using realistic potentials

    International Nuclear Information System (INIS)

    Friar, J.L.

    1987-01-01

    Results of recent calculations for the triton using realistic potentials with strong tensor forces are reviewed, with an emphasis on progress made using the many different calculational schemes. Several test problems are suggested. 49 refs., 5 figs

  19. Sotsialistlik realist Keskküla

    Index Scriptorium Estoniae

    1998-01-01

    Londonis 1998. a. ilmunud inglise kunstikriitiku Matthew Cullerne Bowni monograafias "Socialist Realist Painting" on eesti kunstnikest Enn Põldroos, Nikolai Kormashov, Ando Keskküla, Kormashovi ja Keskküla maalide reproduktsioonid

  20. Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution

    Energy Technology Data Exchange (ETDEWEB)

    Ruestes, C.J., E-mail: cjruestes@hotmail.com [Department of Mechanical and Aerospace Engineering, University of California, San Diego, La Jolla, CA 92093 (United States); Facultad de Ciencias Exactas y Naturales, Univ. Nac. de Cuyo, Mendoza 5500 (Argentina); CONICET, Mendoza 5500 (Argentina); Stukowski, A. [Technische Universität Darmstadt, Darmstadt 64287 (Germany); Tang, Y. [Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072 (China); Tramontina, D.R. [Facultad de Ciencias Exactas y Naturales, Univ. Nac. de Cuyo, Mendoza 5500 (Argentina); Erhart, P. [Chalmers University of Technology, Department of Applied Physics, Gothenburg 41296 (Sweden); Remington, B.A. [Lawrence Livermore National Lab, Livermore, CA 94550 (United States); Urbassek, H.M. [Physics Department and Research Center OPTIMAS, University of Kaiserslautern, Kaiserslautern 67663 (Germany); Meyers, M.A. [Department of Mechanical and Aerospace Engineering, University of California, San Diego, La Jolla, CA 92093 (United States); Bringa, E.M. [Facultad de Ciencias Exactas y Naturales, Univ. Nac. de Cuyo, Mendoza 5500 (Argentina); CONICET, Mendoza 5500 (Argentina)

    2014-09-08

    Nanoindentation simulations are a helpful complement to experiments. There is a dearth of nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient and reliable interatomic potentials at large strains. We carry out indentation simulations for bcc tantalum using three different interatomic potentials and present the defect mechanisms responsible for the creation and expansion of the plastic deformation zone: twins are initially formed, giving rise to shear loop expansion and the formation of sequential prismatic loops. The calculated elastic constants as function of pressure as well as stacking fault energy surfaces explain the significant differences found in the defect structures generated for the three potentials investigated in this study. The simulations enable the quantification of total dislocation length and twinning fraction. The indenter velocity is varied and, as expected, the penetration depth for the first pop-in (defect emission) event shows a strain rate sensitivity m in the range of 0.037–0.055. The effect of indenter diameter on the first pop-in is discussed. A new intrinsic length-scale model is presented based on the profile of the residual indentation and geometrically necessary dislocation theory.

  1. Sputtering of octatetraene by 15 keV C{sub 60} projectiles: Comparison of reactive interatomic potentials

    Energy Technology Data Exchange (ETDEWEB)

    Kanski, Michal; Maciazek, Dawid; Golunski, Mikolaj; Postawa, Zbigniew, E-mail: zbigniew.postawa@uj.edu.pl

    2017-02-15

    Highlights: • Probing the effect of interatomic potentials on sputtering of an octatetraene sample. • Problems with charge calculations are observed during cluster impact for ReaxFF. • COMB3 leads to a very low sputtering yield due to abrupt energy dissipation. • AIREBO is computationally the most efficient, while ReaxFF is more accurate. - Abstract: Molecular dynamics computer simulations have been used to probe the effect of the AIREBO, ReaxFF and COMB3 interatomic potentials on sputtering of an organic sample composed of octatetraene molecules. The system is bombarded by a 15 keV C{sub 60} projectile at normal incidence. The effect of the applied force fields on the total time of simulation, the calculated sputtering yield and the angular distribution of sputtered particles is investigated and discussed. It has been found that caution should be taken when simulating particles ejection from nonhomogeneous systems that undergo significant fragmentation described by the ReaxFF. In this case, the charge state of many particles is improper due to an inadequacy of a procedure used for calculating partial charges on atoms in molecules for conditions present during sputtering. A two-step simulation procedure is proposed to minimize the effect of this deficiency. There is also a possible problem with the COMB3 potential, at least at conditions present during cluster impact, as its results are very different from AIREBO or ReaxFF.

  2. Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution

    International Nuclear Information System (INIS)

    Ruestes, C.J.; Stukowski, A.; Tang, Y.; Tramontina, D.R.; Erhart, P.; Remington, B.A.; Urbassek, H.M.; Meyers, M.A.; Bringa, E.M.

    2014-01-01

    Nanoindentation simulations are a helpful complement to experiments. There is a dearth of nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient and reliable interatomic potentials at large strains. We carry out indentation simulations for bcc tantalum using three different interatomic potentials and present the defect mechanisms responsible for the creation and expansion of the plastic deformation zone: twins are initially formed, giving rise to shear loop expansion and the formation of sequential prismatic loops. The calculated elastic constants as function of pressure as well as stacking fault energy surfaces explain the significant differences found in the defect structures generated for the three potentials investigated in this study. The simulations enable the quantification of total dislocation length and twinning fraction. The indenter velocity is varied and, as expected, the penetration depth for the first pop-in (defect emission) event shows a strain rate sensitivity m in the range of 0.037–0.055. The effect of indenter diameter on the first pop-in is discussed. A new intrinsic length-scale model is presented based on the profile of the residual indentation and geometrically necessary dislocation theory

  3. Study of local response effects in interatomic collisions with two active electrons in the framework of time-dependent density functional theory; Untersuchung lokaler Responseffekte in interatomaren Stoessen mit zwei aktiven Elektronen im Rahmen zeitabhaengiger Dichtefunktionaltheorie

    Energy Technology Data Exchange (ETDEWEB)

    Keim, M.

    2005-07-01

    In the present thesis response effects in interatomic collisions with two active electrons are studied in the range of non-relativistic collision energies. The starting point is the mapping of the time-dependent interacting many-electron sytem on an effective one-particle picture on the base of the time-dependent density functional theory (TDDFT). By means of the basis generator method the one-particle equations aring in the framework of the TDDFT concept are solved in a finite-dimensional model space. In the study of ionization cross section in the collisional systeem anti p+He it is shown that by response effects an essential diminuishing of the cross sections in comparison to the no-response case is reached. Analoguously the ionization cross sections for the collisional systems p-He, He{sup 2+}-He, Li{sup 3+}-He and p-Li{sup +} behave.

  4. Realistic roofs over a rectilinear polygon

    KAUST Repository

    Ahn, Heekap

    2013-11-01

    Given a simple rectilinear polygon P in the xy-plane, a roof over P is a terrain over P whose faces are supported by planes through edges of P that make a dihedral angle π/4 with the xy-plane. According to this definition, some roofs may have faces isolated from the boundary of P or even local minima, which are undesirable for several practical reasons. In this paper, we introduce realistic roofs by imposing a few additional constraints. We investigate the geometric and combinatorial properties of realistic roofs and show that the straight skeleton induces a realistic roof with maximum height and volume. We also show that the maximum possible number of distinct realistic roofs over P is ((n-4)(n-4)/4 /2⌋) when P has n vertices. We present an algorithm that enumerates a combinatorial representation of each such roof in O(1) time per roof without repetition, after O(n4) preprocessing time. We also present an O(n5)-time algorithm for computing a realistic roof with minimum height or volume. © 2013 Elsevier B.V.

  5. Development of a realistic human airway model.

    Science.gov (United States)

    Lizal, Frantisek; Elcner, Jakub; Hopke, Philip K; Jedelsky, Jan; Jicha, Miroslav

    2012-03-01

    Numerous models of human lungs with various levels of idealization have been reported in the literature; consequently, results acquired using these models are difficult to compare to in vivo measurements. We have developed a set of model components based on realistic geometries, which permits the analysis of the effects of subsequent model simplification. A realistic digital upper airway geometry except for the lack of an oral cavity has been created which proved suitable both for computational fluid dynamics (CFD) simulations and for the fabrication of physical models. Subsequently, an oral cavity was added to the tracheobronchial geometry. The airway geometry including the oral cavity was adjusted to enable fabrication of a semi-realistic model. Five physical models were created based on these three digital geometries. Two optically transparent models, one with and one without the oral cavity, were constructed for flow velocity measurements, two realistic segmented models, one with and one without the oral cavity, were constructed for particle deposition measurements, and a semi-realistic model with glass cylindrical airways was developed for optical measurements of flow velocity and in situ particle size measurements. One-dimensional phase doppler anemometry measurements were made and compared to the CFD calculations for this model and good agreement was obtained.

  6. Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic β-Si3N4

    International Nuclear Information System (INIS)

    Ching, W. Y.; Rulis, Paul; Aryal, Sitaram; Ouyang, Lizhi; Misra, Anil

    2010-01-01

    Microstructures such as intergranular glassy films (IGFs) are ubiquitous in many structural ceramics. They control many of the important physical properties of polycrystalline ceramics and can be influenced during processing to modify the performance of devices that contain them. In recent years, there has been intense research, both experimentally and computationally, on the structure and properties of IGFs. Unlike grain boundaries or dislocations with well-defined crystalline planes, the atomic scale structure of IGFs, their fundamental electronic interactions, and their bonding characteristics are far more complicated and not well known. In this paper, we present the results of theoretical simulations using ab initio methods on an IGF model in β-Si 3 N 4 with prismatic crystalline planes. The 907-atom model has a dimension of 14.533 A x 15.225 A x 47.420 A . The IGF layer is perpendicular to the z axis, 16.4 A wide, and contains 72 Si, 32 N, and 124 O atoms. Based on this model, the mechanical and elastic properties, the electronic structure, the interatomic bonding, the localization of defective states, the distribution of electrostatic potential, and the optical dielectric function are evaluated and compared with crystalline β-Si 3 N 4 . We have also performed a theoretical tensile experiment on this model by incrementally extending the structure in the direction perpendicular to the IGF plane until the model fully separated. It is shown that fracture occurs at a strain of 9.42% with a maximum stress of 13.9 GPa. The fractured segments show plastic behavior and the formation of surfacial films on the β-Si 3 N 4 . These results are very different from those of a previously studied basal plane model [J. Chen et al., Phys. Rev. Lett. 95, 256103 (2005)] and add insights to the structure and behavior of IGFs in polycrystalline ceramics. The implications of these results and the need for further investigations are discussed.

  7. Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

    Science.gov (United States)

    Nguyen, Thuong T.; Székely, Eszter; Imbalzano, Giulio; Behler, Jörg; Csányi, Gábor; Ceriotti, Michele; Götz, Andreas W.; Paesani, Francesco

    2018-06-01

    The accurate representation of multidimensional potential energy surfaces is a necessary requirement for realistic computer simulations of molecular systems. The continued increase in computer power accompanied by advances in correlated electronic structure methods nowadays enables routine calculations of accurate interaction energies for small systems, which can then be used as references for the development of analytical potential energy functions (PEFs) rigorously derived from many-body (MB) expansions. Building on the accuracy of the MB-pol many-body PEF, we investigate here the performance of permutationally invariant polynomials (PIPs), neural networks, and Gaussian approximation potentials (GAPs) in representing water two-body and three-body interaction energies, denoting the resulting potentials PIP-MB-pol, Behler-Parrinello neural network-MB-pol, and GAP-MB-pol, respectively. Our analysis shows that all three analytical representations exhibit similar levels of accuracy in reproducing both two-body and three-body reference data as well as interaction energies of small water clusters obtained from calculations carried out at the coupled cluster level of theory, the current gold standard for chemical accuracy. These results demonstrate the synergy between interatomic potentials formulated in terms of a many-body expansion, such as MB-pol, that are physically sound and transferable, and machine-learning techniques that provide a flexible framework to approximate the short-range interaction energy terms.

  8. Are there realistically interpretable local theories?

    International Nuclear Information System (INIS)

    d'Espagnat, B.

    1989-01-01

    Although it rests on strongly established proofs, the statement that no realistically interpretable local theory is compatible with some experimentally testable predictions of quantum mechanics seems at first sight to be incompatible with a few general ideas and clear-cut statements occurring in recent theoretical work by Griffiths, Omnes, and Ballentine and Jarrett. It is shown here that in fact none of the developments due to these authors can be considered as a realistically interpretable local theory, so that there is no valid reason for suspecting that the existing proofs of the statement in question are all flawed

  9. A Radiosity Approach to Realistic Image Synthesis

    Science.gov (United States)

    1992-12-01

    AD-A259 082 AFIT/GCE/ENG/92D-09 A RADIOSITY APPROACH TO REALISTIC IMAGE SYNTHESIS THESIS Richard L. Remington Captain, USAF fl ECTE AFIT/GCE/ENG/92D...09 SJANl 1993U 93-00134 Approved for public release; distribution unlimited 93& 1! A -A- AFIT/GCE/ENG/92D-09 A RADIOSITY APPROACH TO REALISTIC IMAGE...assistance in creating the input geometry file for the AWACS aircraft interior. Without his assistance, a good model for the diffuse radiosity implementation

  10. On the doubly ionized states of Ar2 and their intra- and interatomic decay to Ar23+

    International Nuclear Information System (INIS)

    Stoychev, Spas D.; Kuleff, Alexander I.; Tarantelli, Francesco; Cederbaum, Lorenz S.

    2008-01-01

    Potential energy curves of the Auger state Ar + (2p -1 )-Ar, the different one- and two-site dicationic states Ar 2 ++ (with energies in the range of 32-77 eV), and the lowest two-site tricationic states Ar ++ -Ar + (with energies in the range of 64-76 eV) computed using elaborated ab initio methods are reported. The accessible relaxation channels of the electronic states of Ar ++ -Ar populated by Auger decay are studied. In particular, we study in detail the interatomic Coulombic decay following the population of one-site satellite states of Ar ++ (3s -1 3p -1 )-Ar recently observed experimentally. Other relaxation pathways of Ar ++ -Ar, including radiative charge transfer, nuclear dynamics through curve crossing, and intra-atomic decay processes are also investigated

  11. Realistic terrain visualization based on 3D virtual world technology

    Science.gov (United States)

    Huang, Fengru; Lin, Hui; Chen, Bin; Xiao, Cai

    2010-11-01

    The rapid advances in information technologies, e.g., network, graphics processing, and virtual world, have provided challenges and opportunities for new capabilities in information systems, Internet applications, and virtual geographic environments, especially geographic visualization and collaboration. In order to achieve meaningful geographic capabilities, we need to explore and understand how these technologies can be used to construct virtual geographic environments to help to engage geographic research. The generation of three-dimensional (3D) terrain plays an important part in geographical visualization, computer simulation, and virtual geographic environment applications. The paper introduces concepts and technologies of virtual worlds and virtual geographic environments, explores integration of realistic terrain and other geographic objects and phenomena of natural geographic environment based on SL/OpenSim virtual world technologies. Realistic 3D terrain visualization is a foundation of construction of a mirror world or a sand box model of the earth landscape and geographic environment. The capabilities of interaction and collaboration on geographic information are discussed as well. Further virtual geographic applications can be developed based on the foundation work of realistic terrain visualization in virtual environments.

  12. Phonon transport in a one-dimensional harmonic chain with long-range interaction and mass disorder

    Science.gov (United States)

    Zhou, Hangbo; Zhang, Gang; Wang, Jian-Sheng; Zhang, Yong-Wei

    2016-11-01

    Atomic mass and interatomic interaction are the two key quantities that significantly affect the heat conduction carried by phonons. Here, we study the effects of long-range (LR) interatomic interaction and mass disorder on the phonon transport in a one-dimensional harmonic chain with up to 105 atoms. We find that while LR interaction reduces the transmission of low-frequency phonons, it enhances the transmission of high-frequency phonons by suppressing the localization effects caused by mass disorder. Therefore, LR interaction is able to boost heat conductance in the high-temperature regime or in the large size regime, where the high-frequency modes are important.

  13. Blend Shape Interpolation and FACS for Realistic Avatar

    Science.gov (United States)

    Alkawaz, Mohammed Hazim; Mohamad, Dzulkifli; Basori, Ahmad Hoirul; Saba, Tanzila

    2015-03-01

    The quest of developing realistic facial animation is ever-growing. The emergence of sophisticated algorithms, new graphical user interfaces, laser scans and advanced 3D tools imparted further impetus towards the rapid advancement of complex virtual human facial model. Face-to-face communication being the most natural way of human interaction, the facial animation systems became more attractive in the information technology era for sundry applications. The production of computer-animated movies using synthetic actors are still challenging issues. Proposed facial expression carries the signature of happiness, sadness, angry or cheerful, etc. The mood of a particular person in the midst of a large group can immediately be identified via very subtle changes in facial expressions. Facial expressions being very complex as well as important nonverbal communication channel are tricky to synthesize realistically using computer graphics. Computer synthesis of practical facial expressions must deal with the geometric representation of the human face and the control of the facial animation. We developed a new approach by integrating blend shape interpolation (BSI) and facial action coding system (FACS) to create a realistic and expressive computer facial animation design. The BSI is used to generate the natural face while the FACS is employed to reflect the exact facial muscle movements for four basic natural emotional expressions such as angry, happy, sad and fear with high fidelity. The results in perceiving the realistic facial expression for virtual human emotions based on facial skin color and texture may contribute towards the development of virtual reality and game environment of computer aided graphics animation systems.

  14. On Realistically Attacking Tor with Website Fingerprinting

    Directory of Open Access Journals (Sweden)

    Wang Tao

    2016-10-01

    Full Text Available Website fingerprinting allows a local, passive observer monitoring a web-browsing client’s encrypted channel to determine her web activity. Previous attacks have shown that website fingerprinting could be a threat to anonymity networks such as Tor under laboratory conditions. However, there are significant differences between laboratory conditions and realistic conditions. First, in laboratory tests we collect the training data set together with the testing data set, so the training data set is fresh, but an attacker may not be able to maintain a fresh data set. Second, laboratory packet sequences correspond to a single page each, but for realistic packet sequences the split between pages is not obvious. Third, packet sequences may include background noise from other types of web traffic. These differences adversely affect website fingerprinting under realistic conditions. In this paper, we tackle these three problems to bridge the gap between laboratory and realistic conditions for website fingerprinting. We show that we can maintain a fresh training set with minimal resources. We demonstrate several classification-based techniques that allow us to split full packet sequences effectively into sequences corresponding to a single page each. We describe several new algorithms for tackling background noise. With our techniques, we are able to build the first website fingerprinting system that can operate directly on packet sequences collected in the wild.

  15. Satellite Maps Deliver More Realistic Gaming

    Science.gov (United States)

    2013-01-01

    When Redwood City, California-based Electronic Arts (EA) decided to make SSX, its latest snowboarding video game, it faced challenges in creating realistic-looking mountains. The solution was NASA's ASTER Global Digital Elevation Map, made available by the Jet Propulsion Laboratory, which EA used to create 28 real-life mountains from 9 different ranges for its award-winning game.

  16. Realistic searches on stretched exponential networks

    Indian Academy of Sciences (India)

    We consider navigation or search schemes on networks which have a degree distribution of the form () ∝ exp(−). In addition, the linking probability is taken to be dependent on social distances and is governed by a parameter . The searches are realistic in the sense that not all search chains can be completed.

  17. Generating realistic roofs over a rectilinear polygon

    KAUST Repository

    Ahn, Heekap; Bae, Sangwon; Knauer, Christian; Lee, Mira; Shin, Chansu; Vigneron, Antoine E.

    2011-01-01

    Given a simple rectilinear polygon P in the xy-plane, a roof over P is a terrain over P whose faces are supported by planes through edges of P that make a dihedral angle π/4 with the xy-plane. In this paper, we introduce realistic roofs by imposing

  18. Realistic shell-model calculations for Sn isotopes

    International Nuclear Information System (INIS)

    Covello, A.; Andreozzi, F.; Coraggio, L.; Gargano, A.; Porrino, A.

    1997-01-01

    We report on a shell-model study of the Sn isotopes in which a realistic effective interaction derived from the Paris free nucleon-nucleon potential is employed. The calculations are performed within the framework of the seniority scheme by making use of the chain-calculation method. This provides practically exact solutions while cutting down the amount of computational work required by a standard seniority-truncated calculation. The behavior of the energy of several low-lying states in the isotopes with A ranging from 122 to 130 is presented and compared with the experimental one. (orig.)

  19. Realistic Approach for Phasor Measurement Unit Placement

    DEFF Research Database (Denmark)

    Rather, Zakir Hussain; Chen, Zhe; Thøgersen, Paul

    2015-01-01

    This paper presents a realistic cost-effectivemodel for optimal placement of phasor measurement units (PMUs) for complete observability of a power system considering practical cost implications. The proposed model considers hidden or otherwise unaccounted practical costs involved in PMU...... installation. Consideration of these hidden but significant and integral part of total PMU installation costs was inspired from practical experience on a real-life project. The proposedmodel focuses on the minimization of total realistic costs instead of a widely used theoretical concept of a minimal number...... of PMUs. The proposed model has been applied to IEEE 14-bus, IEEE 24-bus, IEEE 30-bus, New England 39-bus, and large power system of 300 buses and real life Danish grid. A comparison of the presented results with those reported by traditionalmethods has also been shown to justify the effectiveness...

  20. RenderGAN: Generating Realistic Labeled Data

    Directory of Open Access Journals (Sweden)

    Leon Sixt

    2018-06-01

    Full Text Available Deep Convolutional Neuronal Networks (DCNNs are showing remarkable performance on many computer vision tasks. Due to their large parameter space, they require many labeled samples when trained in a supervised setting. The costs of annotating data manually can render the use of DCNNs infeasible. We present a novel framework called RenderGAN that can generate large amounts of realistic, labeled images by combining a 3D model and the Generative Adversarial Network framework. In our approach, image augmentations (e.g., lighting, background, and detail are learned from unlabeled data such that the generated images are strikingly realistic while preserving the labels known from the 3D model. We apply the RenderGAN framework to generate images of barcode-like markers that are attached to honeybees. Training a DCNN on data generated by the RenderGAN yields considerably better performance than training it on various baselines.

  1. Realistic molecular model of kerogen's nanostructure.

    Science.gov (United States)

    Bousige, Colin; Ghimbeu, Camélia Matei; Vix-Guterl, Cathie; Pomerantz, Andrew E; Suleimenova, Assiya; Vaughan, Gavin; Garbarino, Gaston; Feygenson, Mikhail; Wildgruber, Christoph; Ulm, Franz-Josef; Pellenq, Roland J-M; Coasne, Benoit

    2016-05-01

    Despite kerogen's importance as the organic backbone for hydrocarbon production from source rocks such as gas shale, the interplay between kerogen's chemistry, morphology and mechanics remains unexplored. As the environmental impact of shale gas rises, identifying functional relations between its geochemical, transport, elastic and fracture properties from realistic molecular models of kerogens becomes all the more important. Here, by using a hybrid experimental-simulation method, we propose a panel of realistic molecular models of mature and immature kerogens that provide a detailed picture of kerogen's nanostructure without considering the presence of clays and other minerals in shales. We probe the models' strengths and limitations, and show that they predict essential features amenable to experimental validation, including pore distribution, vibrational density of states and stiffness. We also show that kerogen's maturation, which manifests itself as an increase in the sp(2)/sp(3) hybridization ratio, entails a crossover from plastic-to-brittle rupture mechanisms.

  2. Non realist tendencies in new Turkish cinema

    OpenAIRE

    Can, İclal

    2016-01-01

    http://hdl.handle.net/11693/29111 Thesis (M.S.): Bilkent University, Department of Communication and Design, İhsan Doğramacı Bilkent University, 2016. Includes bibliographical references (leaves 113-123). The realist tendency which had been dominant in cinema became more apparent with Italian neorealism affecting other national cinemas to a large extent. With the changing and developing socio economic and cultural dynamics, realism gradually has stopped being a natural const...

  3. Security of quantum cryptography with realistic sources

    International Nuclear Information System (INIS)

    Lutkenhaus, N.

    1999-01-01

    The interest in practical implementations of quantum key distribution is steadily growing. However, there is still a need to give a precise security statement which adapts to realistic implementation. In this paper I give the effective key rate we can obtain in a practical setting within scenario of security against individual attacks by an eavesdropper. It illustrates previous results that high losses together with detector dark counts can make secure quantum key distribution impossible. (Author)

  4. Quantifying introgression risk with realistic population genetics

    OpenAIRE

    Ghosh, Atiyo; Meirmans, Patrick G.; Haccou, Patsy

    2012-01-01

    Introgression is the permanent incorporation of genes from the genome of one population into another. This can have severe consequences, such as extinction of endemic species, or the spread of transgenes. Quantification of the risk of introgression is an important component of genetically modified crop regulation. Most theoretical introgression studies aimed at such quantification disregard one or more of the most important factors concerning introgression: realistic genetical mechanisms, rep...

  5. Quantum cryptography: towards realization in realistic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Imoto, M; Koashi, M; Shimizu, K [NTT Basic Research Laboratories, 3-1 Morinosato-Wakamiya, Atsugi-shi, Kanagawa 243-01 (Japan); Huttner, B [Universite de Geneve, GAP-optique, 20, Rue de l` Ecole de Medecine CH1211, Geneve 4 (Switzerland)

    1997-05-11

    Many of quantum cryptography schemes have been proposed based on some assumptions such as no transmission loss, no measurement error, and an ideal single photon generator. We have been trying to develop a theory of quantum cryptography considering realistic conditions. As such attempts, we propose quantum cryptography with coherent states, quantum cryptography with two-photon interference, and generalization of two-state cryptography to two-mixed-state cases. (author) 15 refs., 1 fig., 1 tab.

  6. Security of quantum cryptography with realistic sources

    Energy Technology Data Exchange (ETDEWEB)

    Lutkenhaus, N [Helsinki Institute of Physics, P.O. Box 9, 00014 Helsingin yliopisto (Finland)

    1999-08-01

    The interest in practical implementations of quantum key distribution is steadily growing. However, there is still a need to give a precise security statement which adapts to realistic implementation. In this paper I give the effective key rate we can obtain in a practical setting within scenario of security against individual attacks by an eavesdropper. It illustrates previous results that high losses together with detector dark counts can make secure quantum key distribution impossible. (Author)

  7. Quantum cryptography: towards realization in realistic conditions

    International Nuclear Information System (INIS)

    Imoto, M.; Koashi, M.; Shimizu, K.; Huttner, B.

    1997-01-01

    Many of quantum cryptography schemes have been proposed based on some assumptions such as no transmission loss, no measurement error, and an ideal single photon generator. We have been trying to develop a theory of quantum cryptography considering realistic conditions. As such attempts, we propose quantum cryptography with coherent states, quantum cryptography with two-photon interference, and generalization of two-state cryptography to two-mixed-state cases. (author)

  8. Research of shot noise based on realistic nano-MOSFETs

    Directory of Open Access Journals (Sweden)

    Xiaofei Jia

    2017-05-01

    Full Text Available Experimental measurements and simulation results have shown that the dominant noise source of current noise changes from thermal noise to shot noise with scaling of MOSFET, and shot noise were suppressed by Fermi and Coulomb interactions. In this paper, Shot noise test system is established, and experimental results proved that shot noise were suppressed, and the expressions of shot noise in realistic nano-MOSFETs are derived with considering Fermi effect, Coulomb interaction and the combination of the both co-existence, respectively. On this basis, the variation of shot noise with voltage, temperature and source-drain doping were researched. The results we obtained are consistent with those from experiments and the theoretically explanation is given. At the same time, the shot noise test system is suitable for traditional nanoscale electronic components; the shot noise model is suitable for nanoscale MOSFET.

  9. Interatomic potentials for PuC by Chen–Möbius multiple lattice inversion

    International Nuclear Information System (INIS)

    Huang, H.; Meng, D.Q.; Lai, X.C.; Li, G.; Long, Y.

    2013-01-01

    The atomic interactions of PuC with B1 structure were described by Chen–Möbius lattice inversion combined with first-principle calculations. In order to obtain the inversion potential parameters of PuC, three different structures including two virtual crystals were built and the Morse function plus a modified term was adopted to fit the pair-potential curves. The reliability of the inversion potential was tested by checking the stability of the transition of PuC from disordered to ordered state and comparing the calculated and experimental physical and thermal properties of PuC. All the results show that the inversion potential could give a stable and accurate description of the atomic interactions in PuC and the physical and thermal properties of PuC are well reproduced by the potential

  10. MetAssimulo:Simulation of Realistic NMR Metabolic Profiles

    Directory of Open Access Journals (Sweden)

    De Iorio Maria

    2010-10-01

    Full Text Available Abstract Background Probing the complex fusion of genetic and environmental interactions, metabolic profiling (or metabolomics/metabonomics, the study of small molecules involved in metabolic reactions, is a rapidly expanding 'omics' field. A major technique for capturing metabolite data is 1H-NMR spectroscopy and this yields highly complex profiles that require sophisticated statistical analysis methods. However, experimental data is difficult to control and expensive to obtain. Thus data simulation is a productive route to aid algorithm development. Results MetAssimulo is a MATLAB-based package that has been developed to simulate 1H-NMR spectra of complex mixtures such as metabolic profiles. Drawing data from a metabolite standard spectral database in conjunction with concentration information input by the user or constructed automatically from the Human Metabolome Database, MetAssimulo is able to create realistic metabolic profiles containing large numbers of metabolites with a range of user-defined properties. Current features include the simulation of two groups ('case' and 'control' specified by means and standard deviations of concentrations for each metabolite. The software enables addition of spectral noise with a realistic autocorrelation structure at user controllable levels. A crucial feature of the algorithm is its ability to simulate both intra- and inter-metabolite correlations, the analysis of which is fundamental to many techniques in the field. Further, MetAssimulo is able to simulate shifts in NMR peak positions that result from matrix effects such as pH differences which are often observed in metabolic NMR spectra and pose serious challenges for statistical algorithms. Conclusions No other software is currently able to simulate NMR metabolic profiles with such complexity and flexibility. This paper describes the algorithm behind MetAssimulo and demonstrates how it can be used to simulate realistic NMR metabolic profiles with

  11. Realistic and efficient 2D crack simulation

    Science.gov (United States)

    Yadegar, Jacob; Liu, Xiaoqing; Singh, Abhishek

    2010-04-01

    Although numerical algorithms for 2D crack simulation have been studied in Modeling and Simulation (M&S) and computer graphics for decades, realism and computational efficiency are still major challenges. In this paper, we introduce a high-fidelity, scalable, adaptive and efficient/runtime 2D crack/fracture simulation system by applying the mathematically elegant Peano-Cesaro triangular meshing/remeshing technique to model the generation of shards/fragments. The recursive fractal sweep associated with the Peano-Cesaro triangulation provides efficient local multi-resolution refinement to any level-of-detail. The generated binary decomposition tree also provides efficient neighbor retrieval mechanism used for mesh element splitting and merging with minimal memory requirements essential for realistic 2D fragment formation. Upon load impact/contact/penetration, a number of factors including impact angle, impact energy, and material properties are all taken into account to produce the criteria of crack initialization, propagation, and termination leading to realistic fractal-like rubble/fragments formation. The aforementioned parameters are used as variables of probabilistic models of cracks/shards formation, making the proposed solution highly adaptive by allowing machine learning mechanisms learn the optimal values for the variables/parameters based on prior benchmark data generated by off-line physics based simulation solutions that produce accurate fractures/shards though at highly non-real time paste. Crack/fracture simulation has been conducted on various load impacts with different initial locations at various impulse scales. The simulation results demonstrate that the proposed system has the capability to realistically and efficiently simulate 2D crack phenomena (such as window shattering and shards generation) with diverse potentials in military and civil M&S applications such as training and mission planning.

  12. Towards an agential realist concept of learning

    DEFF Research Database (Denmark)

    Plauborg, Helle

    2018-01-01

    Drawing on agential realism, this article explores how learning can be understood. An agential realist way of thinking about learning is sensitive to the complexity that characterises learning as a phenomenon. Thus, learning is seen as a dynamic and emergent phenomenon, constantly undergoing...... processes of becoming and expanding the range of components involved in such constitutive processes. With inspiration from Barad’s theorisation of spatiality, temporality and the interdependence of discourse and materiality, this article focuses on timespacemattering and material-discursivity. Concepts...

  13. MANAJEMEN LABA: PERILAKU MANAJEMEN OPPORTUNISTIC ATAU REALISTIC ?

    Directory of Open Access Journals (Sweden)

    I Nyoman Wijana Asmara Putra

    2011-01-01

    Full Text Available Earnings management is a still attractive issue. It is often associatedwith negative behavior conducted by management for its own interest. In fact,it also has different side to be examined. There is another motivation to do so,such as to improve the company’s operation. This literature study aims toreview management motivation of doing earnings management, whetheropportunistic or realistic. What conflict that earnings management brings,what pro and cons about it, what would happen if earnings is not managed,whether the company would be better off or worse off.

  14. Convective aggregation in realistic convective-scale simulations

    Science.gov (United States)

    Holloway, Christopher E.

    2017-06-01

    To investigate the real-world relevance of idealized-model convective self-aggregation, five 15 day cases of real organized convection in the tropics are simulated. These include multiple simulations of each case to test sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. These simulations are compared to self-aggregation seen in the same model configured to run in idealized radiative-convective equilibrium. Analysis of the budget of the spatial variance of column-integrated frozen moist static energy shows that control runs have significant positive contributions to organization from radiation and negative contributions from surface fluxes and transport, similar to idealized runs once they become aggregated. Despite identical lateral boundary conditions for all experiments in each case, systematic differences in mean column water vapor (CWV), CWV distribution shape, and CWV autocorrelation length scale are found between the different sensitivity runs, particularly for those without interactive radiation, showing that there are at least some similarities in sensitivities to these feedbacks in both idealized and realistic simulations (although the organization of precipitation shows less sensitivity to interactive radiation). The magnitudes and signs of these systematic differences are consistent with a rough equilibrium between (1) equalization due to advection from the lateral boundaries and (2) disaggregation due to the absence of interactive radiation, implying disaggregation rates comparable to those in idealized runs with aggregated initial conditions and noninteractive radiation. This points to a plausible similarity in the way that radiation feedbacks maintain aggregated convection in both idealized simulations and the real world.Plain Language SummaryUnderstanding the processes that lead to the organization of tropical rainstorms is an important challenge for weather

  15. TMS modeling toolbox for realistic simulation.

    Science.gov (United States)

    Cho, Young Sun; Suh, Hyun Sang; Lee, Won Hee; Kim, Tae-Seong

    2010-01-01

    Transcranial magnetic stimulation (TMS) is a technique for brain stimulation using rapidly changing magnetic fields generated by coils. It has been established as an effective stimulation technique to treat patients suffering from damaged brain functions. Although TMS is known to be painless and noninvasive, it can also be harmful to the brain by incorrect focusing and excessive stimulation which might result in seizure. Therefore there is ongoing research effort to elucidate and better understand the effect and mechanism of TMS. Lately Boundary element method (BEM) and Finite element method (FEM) have been used to simulate the electromagnetic phenomenon of TMS. However, there is a lack of general tools to generate the models of TMS due to some difficulties in realistic modeling of the human head and TMS coils. In this study, we have developed a toolbox through which one can generate high-resolution FE TMS models. The toolbox allows creating FE models of the head with isotropic and anisotropic electrical conductivities in five different tissues of the head and the coils in 3D. The generated TMS model is importable to FE software packages such as ANSYS for further and efficient electromagnetic analysis. We present a set of demonstrative results of realistic simulation of TMS with our toolbox.

  16. Realistic Affective Forecasting: The Role of Personality

    Science.gov (United States)

    Hoerger, Michael; Chapman, Ben; Duberstein, Paul

    2016-01-01

    Affective forecasting often drives decision making. Although affective forecasting research has often focused on identifying sources of error at the event level, the present investigation draws upon the ‘realistic paradigm’ in seeking to identify factors that similarly influence predicted and actual emotions, explaining their concordance across individuals. We hypothesized that the personality traits neuroticism and extraversion would account for variation in both predicted and actual emotional reactions to a wide array of stimuli and events (football games, an election, Valentine’s Day, birthdays, happy/sad film clips, and an intrusive interview). As hypothesized, individuals who were more introverted and neurotic anticipated, correctly, that they would experience relatively more unpleasant emotional reactions, and those who were more extraverted and less neurotic anticipated, correctly, that they would experience relatively more pleasant emotional reactions. Personality explained 30% of the concordance between predicted and actual emotional reactions. Findings suggest three purported personality processes implicated in affective forecasting, highlight the importance of individual-differences research in this domain, and call for more research on realistic affective forecasts. PMID:26212463

  17. Novel high-fidelity realistic explosion damage simulation for urban environments

    Science.gov (United States)

    Liu, Xiaoqing; Yadegar, Jacob; Zhu, Youding; Raju, Chaitanya; Bhagavathula, Jaya

    2010-04-01

    Realistic building damage simulation has a significant impact in modern modeling and simulation systems especially in diverse panoply of military and civil applications where these simulation systems are widely used for personnel training, critical mission planning, disaster management, etc. Realistic building damage simulation should incorporate accurate physics-based explosion models, rubble generation, rubble flyout, and interactions between flying rubble and their surrounding entities. However, none of the existing building damage simulation systems sufficiently faithfully realize the criteria of realism required for effective military applications. In this paper, we present a novel physics-based high-fidelity and runtime efficient explosion simulation system to realistically simulate destruction to buildings. In the proposed system, a family of novel blast models is applied to accurately and realistically simulate explosions based on static and/or dynamic detonation conditions. The system also takes account of rubble pile formation and applies a generic and scalable multi-component based object representation to describe scene entities and highly scalable agent-subsumption architecture and scheduler to schedule clusters of sequential and parallel events. The proposed system utilizes a highly efficient and scalable tetrahedral decomposition approach to realistically simulate rubble formation. Experimental results demonstrate that the proposed system has the capability to realistically simulate rubble generation, rubble flyout and their primary and secondary impacts on surrounding objects including buildings, constructions, vehicles and pedestrians in clusters of sequential and parallel damage events.

  18. Interatomic potentials and lattice distortions in PdDsub(0.8)

    International Nuclear Information System (INIS)

    McKergow, M.W.; Gilberd, P.W.; Picton, D.J.; Ross, D.K.

    1985-01-01

    Dispersion curve measurements on β-phase PdDsub(0.82) have been carried out by neutron scattering, for both the deuteron random structure and the low-temperature ''Ni 4 Mo'' ordered structure. Fits to the data have been obtained using a 10-parameter Born-Von Karman model constrained to yield spherically symmetric potentials for stoichiometric PdD, and corrected for non-stoichiometry by a Mean Field approximation. The Pd-D interaction is found to be attractive, consistent with a stable octahedral site. These potentials have been used to calculate lattice distortion effects in ordered PdDsub(x) using the program DEVIL. This code allows the atoms in a model crystallite to relax so as to minimise potential energy. The Ni 4 Mo structure is found to permit deuteron relaxation, leading to a comparatively large relaxation energy, whilst the competing DO 22 structure does not. Residual stresses due to the ordering process are also calculated. (orig.) [de

  19. Searching for globally optimal functional forms for interatomic potentials using genetic programming with parallel tempering.

    Science.gov (United States)

    Slepoy, A; Peters, M D; Thompson, A P

    2007-11-30

    Molecular dynamics and other molecular simulation methods rely on a potential energy function, based only on the relative coordinates of the atomic nuclei. Such a function, called a force field, approximately represents the electronic structure interactions of a condensed matter system. Developing such approximate functions and fitting their parameters remains an arduous, time-consuming process, relying on expert physical intuition. To address this problem, a functional programming methodology was developed that may enable automated discovery of entirely new force-field functional forms, while simultaneously fitting parameter values. The method uses a combination of genetic programming, Metropolis Monte Carlo importance sampling and parallel tempering, to efficiently search a large space of candidate functional forms and parameters. The methodology was tested using a nontrivial problem with a well-defined globally optimal solution: a small set of atomic configurations was generated and the energy of each configuration was calculated using the Lennard-Jones pair potential. Starting with a population of random functions, our fully automated, massively parallel implementation of the method reproducibly discovered the original Lennard-Jones pair potential by searching for several hours on 100 processors, sampling only a minuscule portion of the total search space. This result indicates that, with further improvement, the method may be suitable for unsupervised development of more accurate force fields with completely new functional forms. Copyright (c) 2007 Wiley Periodicals, Inc.

  20. Realistic control considerations for electromagnetically levitated urban transit vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Billing, J R

    1976-04-01

    A discussion is given of realistic control considerations of suspension dynamics and vehicle/guideway interaction for electromagnetically-levitated urban transit vehicles in the context of revenue applications. The emphasis is on safety, reliability, and maintainability rather than performance. An example urban transit system is described, and the following considerations of dynamics and control are examined: stability, magnet force requirements, magnet airgap requirements, vehicle ride, and component failures. It is shown that it is a formidable problem to ensure suspension stability under all conditions; that operation on curves is a critical magnet and control system design case; that operation of the magnets in the non-linear regime is unavoidable and that component failures will be a major problem. However, good vehicle ride is to be expected. It is concluded that magnetic levitation suspension technology requires substantial development effort before it can be considered suitable for revenue operation.

  1. Resolving conflict realistically in today's health care environment.

    Science.gov (United States)

    Smith, S B; Tutor, R S; Phillips, M L

    2001-11-01

    Conflict is a natural part of human interaction, and when properly addressed, results in improved interpersonal relationships and positive organizational culture. Unchecked conflict may escalate to verbal and physical violence. Conflict that is unresolved creates barriers for people, teams, organizational growth, and productivity, leading to cultural disintegration within the establishment. By relying on interdependence and professional collaboration, all parties involved grow and, in turn, benefit the organization and population served. When used in a constructive manner, conflict resolution can help all parties involved see the whole picture, thus allowing freedom for growth and change. Conflict resolution is accomplished best when emotions are controlled before entering into negotiation. Positive confrontation, problem solving, and negotiation are processes used to realistically resolve conflict. Everyone walks away a winner when conflict is resolved in a positive, professional manner (Stone, 1999).

  2. Realistic page-turning of electronic books

    Science.gov (United States)

    Fan, Chaoran; Li, Haisheng; Bai, Yannan

    2014-01-01

    The booming electronic books (e-books), as an extension to the paper book, are popular with readers. Recently, many efforts are put into the realistic page-turning simulation o f e-book to improve its reading experience. This paper presents a new 3D page-turning simulation approach, which employs piecewise time-dependent cylindrical surfaces to describe the turning page and constructs smooth transition method between time-dependent cylinders. The page-turning animation is produced by sequentially mapping the turning page into the cylinders with different radii and positions. Compared to the previous approaches, our method is able to imitate various effects efficiently and obtains more natural animation of turning page.

  3. Realistic Simulations of Coronagraphic Observations with WFIRST

    Science.gov (United States)

    Rizzo, Maxime; Zimmerman, Neil; Roberge, Aki; Lincowski, Andrew; Arney, Giada; Stark, Chris; Jansen, Tiffany; Turnbull, Margaret; WFIRST Science Investigation Team (Turnbull)

    2018-01-01

    We present a framework to simulate observing scenarios with the WFIRST Coronagraphic Instrument (CGI). The Coronagraph and Rapid Imaging Spectrograph in Python (crispy) is an open-source package that can be used to create CGI data products for analysis and development of post-processing routines. The software convolves time-varying coronagraphic PSFs with realistic astrophysical scenes which contain a planetary architecture, a consistent dust structure, and a background field composed of stars and galaxies. The focal plane can be read out by a WFIRST electron-multiplying CCD model directly, or passed through a WFIRST integral field spectrograph model first. Several elementary post-processing routines are provided as part of the package.

  4. Level density from realistic nuclear potentials

    International Nuclear Information System (INIS)

    Calboreanu, A.

    2006-01-01

    Nuclear level density of some nuclei is calculated using a realistic set of single particle states (sps). These states are derived from the parameterization of nuclear potentials that describe the observed sps over a large number of nuclei. This approach has the advantage that one can infer level density for nuclei that are inaccessible for a direct study, but are very important in astrophysical processes such as those close to the drip lines. Level densities at high excitation energies are very sensitive to the actual set of sps. The fact that the sps spectrum is finite has extraordinary consequences upon nuclear reaction yields due to the leveling-off of the level density at extremely high excitation energies wrongly attributed so far to other nuclear effects. Single-particle level density parameter a parameter is extracted by fitting the calculated densities to the standard Bethe formula

  5. Realistic microscopic level densities for spherical nuclei

    International Nuclear Information System (INIS)

    Cerf, N.

    1994-01-01

    Nuclear level densities play an important role in nuclear reactions such as the formation of the compound nucleus. We develop a microscopic calculation of the level density based on a combinatorial evaluation from a realistic single-particle level scheme. This calculation makes use of a fast Monte Carlo algorithm allowing us to consider large shell model spaces which could not be treated previously in combinatorial approaches. Since our model relies on a microscopic basis, it can be applied to exotic nuclei with more confidence than the commonly used semiphenomenological formuals. An exhaustive comparison of our predicted neutron s-wave resonance spacings with experimental data for a wide range of nuclei is presented

  6. HELIOSEISMOLOGY OF A REALISTIC MAGNETOCONVECTIVE SUNSPOT SIMULATION

    International Nuclear Information System (INIS)

    Braun, D. C.; Birch, A. C.; Rempel, M.; Duvall, T. L. Jr.

    2012-01-01

    We compare helioseismic travel-time shifts measured from a realistic magnetoconvective sunspot simulation using both helioseismic holography and time-distance helioseismology, and measured from real sunspots observed with the Helioseismic and Magnetic Imager instrument on board the Solar Dynamics Observatory and the Michelson Doppler Imager instrument on board the Solar and Heliospheric Observatory. We find remarkable similarities in the travel-time shifts measured between the methodologies applied and between the simulated and real sunspots. Forward modeling of the travel-time shifts using either Born or ray approximation kernels and the sound-speed perturbations present in the simulation indicates major disagreements with the measured travel-time shifts. These findings do not substantially change with the application of a correction for the reduction of wave amplitudes in the simulated and real sunspots. Overall, our findings demonstrate the need for new methods for inferring the subsurface structure of sunspots through helioseismic inversions.

  7. Determination of the interatomic potential from elastic differential cross sections at fixed energy: Functional sensitivity analysis approach

    International Nuclear Information System (INIS)

    Ho, T.; Rabitz, H.

    1989-01-01

    Elastic differential cross sections in atomic crossed beam experiments contain detailed information about the underlying interatomic potentials. The functional sensitivity density of the cross sections with respect to the potential δσ(θ)/δV(R) reveals such information and has been implemented in an iterative inversion procedure, analogous to that of the Newton--Raphson technique. The stability of the inversion is achieved with the use of the regularization method of Tikhonov and Miller. It is shown that given a set of well resolved and noise-free differential cross section data within a limited angular range and given a reasonable starting reference potential, the recovered potential accurately resembles the desired one in the important region, i.e., the region to which the scattering data are sensitive. The region of importance depends upon the collision energy relative to the well depth of the potential under study; usually a higher collision energy penetrates deeper into the repulsive part of the potential and thus accordingly yields a more accurate potential in that part. The inversion procedure produces also a quality function indicating the well determined radial region. Moreover, the extracted potential is quite independent of the functional form of the reference potential in contrast to curve fitting approaches. As illustrations, the model inert gas systems He--Ne and Ne--Ar have been considered. For collision energies within an order of magnitude of the associated potential well depth, the attractive part of the potential can be determined to high precision provided that scattering data at small enough angles are available

  8. Transforming the patient care environment with Lean Six Sigma and realistic evaluation.

    Science.gov (United States)

    Black, Jason

    2009-01-01

    Lean Six Sigma (LSS) is a structured methodology for transforming processes, but it does not fully consider the complex social interactions that cause processes to form in hospital organizations. By combining LSS implementations with the concept of Realistic Evaluation, a methodology that promotes change by assessing and considering the individual characteristics of an organization's social environment, successful and sustainable process improvement is more likely.

  9. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions ...

  10. Realistic generation cost of solar photovoltaic electricity

    International Nuclear Information System (INIS)

    Singh, Parm Pal; Singh, Sukhmeet

    2010-01-01

    Solar photovoltaic (SPV) power plants have long working life with zero fuel cost and negligible maintenance cost but requires huge initial investment. The generation cost of the solar electricity is mainly the cost of financing the initial investment. Therefore, the generation cost of solar electricity in different years depends on the method of returning the loan. Currently levelized cost based on equated payment loan is being used. The static levelized generation cost of solar electricity is compared with the current value of variable generation cost of grid electricity. This improper cost comparison is inhibiting the growth of SPV electricity by creating wrong perception that solar electricity is very expensive. In this paper a new method of loan repayment has been developed resulting in generation cost of SPV electricity that increases with time like that of grid electricity. A generalized capital recovery factor has been developed for graduated payment loan in which capital and interest payment in each installment are calculated by treating each loan installment as an independent loan for the relevant years. Generalized results have been calculated which can be used to determine the cost of SPV electricity for a given system at different places. Results show that for SPV system with specific initial investment of 5.00 cents /kWh/year, loan period of 30 years and loan interest rate of 4% the levelized generation cost of SPV electricity with equated payment loan turns out to be 28.92 cents /kWh, while the corresponding generation cost with graduated payment loan with escalation in annual installment of 8% varies from 9.51 cents /kWh in base year to 88.63 cents /kWh in 30th year. So, in this case, the realistic current generation cost of SPV electricity is 9.51 cents /kWh and not 28.92 cents /kWh. Further, with graduated payment loan, extension in loan period results in sharp decline in cost of SPV electricity in base year. Hence, a policy change is required

  11. Measurable realistic image-based 3D mapping

    Science.gov (United States)

    Liu, W.; Wang, J.; Wang, J. J.; Ding, W.; Almagbile, A.

    2011-12-01

    Maps with 3D visual models are becoming a remarkable feature of 3D map services. High-resolution image data is obtained for the construction of 3D visualized models.The3D map not only provides the capabilities of 3D measurements and knowledge mining, but also provides the virtual experienceof places of interest, such as demonstrated in the Google Earth. Applications of 3D maps are expanding into the areas of architecture, property management, and urban environment monitoring. However, the reconstruction of high quality 3D models is time consuming, and requires robust hardware and powerful software to handle the enormous amount of data. This is especially for automatic implementation of 3D models and the representation of complicated surfacesthat still need improvements with in the visualisation techniques. The shortcoming of 3D model-based maps is the limitation of detailed coverage since a user can only view and measure objects that are already modelled in the virtual environment. This paper proposes and demonstrates a 3D map concept that is realistic and image-based, that enables geometric measurements and geo-location services. Additionally, image-based 3D maps provide more detailed information of the real world than 3D model-based maps. The image-based 3D maps use geo-referenced stereo images or panoramic images. The geometric relationships between objects in the images can be resolved from the geometric model of stereo images. The panoramic function makes 3D maps more interactive with users but also creates an interesting immersive circumstance. Actually, unmeasurable image-based 3D maps already exist, such as Google street view, but only provide virtual experiences in terms of photos. The topographic and terrain attributes, such as shapes and heights though are omitted. This paper also discusses the potential for using a low cost land Mobile Mapping System (MMS) to implement realistic image 3D mapping, and evaluates the positioning accuracy that a measureable

  12. Determination of Realistic Fire Scenarios in Spacecraft

    Science.gov (United States)

    Dietrich, Daniel L.; Ruff, Gary A.; Urban, David

    2013-01-01

    This paper expands on previous work that examined how large a fire a crew member could successfully survive and extinguish in the confines of a spacecraft. The hazards to the crew and equipment during an accidental fire include excessive pressure rise resulting in a catastrophic rupture of the vehicle skin, excessive temperatures that burn or incapacitate the crew (due to hyperthermia), carbon dioxide build-up or accumulation of other combustion products (e.g. carbon monoxide). The previous work introduced a simplified model that treated the fire primarily as a source of heat and combustion products and sink for oxygen prescribed (input to the model) based on terrestrial standards. The model further treated the spacecraft as a closed system with no capability to vent to the vacuum of space. The model in the present work extends this analysis to more realistically treat the pressure relief system(s) of the spacecraft, include more combustion products (e.g. HF) in the analysis and attempt to predict the fire spread and limiting fire size (based on knowledge of terrestrial fires and the known characteristics of microgravity fires) rather than prescribe them in the analysis. Including the characteristics of vehicle pressure relief systems has a dramatic mitigating effect by eliminating vehicle overpressure for all but very large fires and reducing average gas-phase temperatures.

  13. Cerebral blood flow simulations in realistic geometries

    Directory of Open Access Journals (Sweden)

    Szopos Marcela

    2012-04-01

    Full Text Available The aim of this work is to perform the computation of the blood flow in all the cerebral network, obtained from medical images as angiographies. We use free finite elements codes as FreeFEM++. We first test the code on analytical solutions in simplified geometries. Then, we study the influence of boundary conditions on the flow and we finally perform first computations on realistic meshes. L’objectif est ici de simuler l’écoulement sanguin dans tout le réseau cérébral (artériel et veineux obtenu à partir d’angiographies cérébrales 3D à l’aide de logiciels d’éléments finis libres, comme FreeFEM++. Nous menons d’abord une étude détaillée des résultats sur des solutions analytiques et l’influence des conditions limites à imposer dans des géométries simplifiées avant de travailler sur les maillages réalistes.

  14. Quantifying introgression risk with realistic population genetics.

    Science.gov (United States)

    Ghosh, Atiyo; Meirmans, Patrick G; Haccou, Patsy

    2012-12-07

    Introgression is the permanent incorporation of genes from the genome of one population into another. This can have severe consequences, such as extinction of endemic species, or the spread of transgenes. Quantification of the risk of introgression is an important component of genetically modified crop regulation. Most theoretical introgression studies aimed at such quantification disregard one or more of the most important factors concerning introgression: realistic genetical mechanisms, repeated invasions and stochasticity. In addition, the use of linkage as a risk mitigation strategy has not been studied properly yet with genetic introgression models. Current genetic introgression studies fail to take repeated invasions and demographic stochasticity into account properly, and use incorrect measures of introgression risk that can be manipulated by arbitrary choices. In this study, we present proper methods for risk quantification that overcome these difficulties. We generalize a probabilistic risk measure, the so-called hazard rate of introgression, for application to introgression models with complex genetics and small natural population sizes. We illustrate the method by studying the effects of linkage and recombination on transgene introgression risk at different population sizes.

  15. Exophobic Quasi-Realistic Heterotic String Vacua

    CERN Document Server

    Assel, Benjamin; Faraggi, Alon E; Kounnas, Costas; Rizos, John

    2009-01-01

    We demonstrate the existence of heterotic-string vacua that are free of massless exotic fields. The need to break the non-Abelian GUT symmetries in k=1 heterotic-string models by Wilson lines, while preserving the GUT embedding of the weak-hypercharge and the GUT prediction sin^2\\theta_w(M(GUT))=3/8, necessarily implies that the models contain states with fractional electric charge. Such states are severely restricted by observations, and must be confined or sufficiently massive and diluted. We construct the first quasi-realistic heterotic-string models in which the exotic states do not appear in the massless spectrum, and only exist, as they must, in the massive spectrum. The SO(10) GUT symmetry is broken to the Pati-Salam subgroup. Our PS heterotic-string models contain adequate Higgs representations to break the GUT and electroweak symmetry, as well as colour Higgs triplets that can be used for the missing partner mechanism. By statistically sampling the space of Pati-Salam vacua we demonstrate the abundan...

  16. Challenges and solutions for realistic room simulation

    Science.gov (United States)

    Begault, Durand R.

    2002-05-01

    Virtual room acoustic simulation (auralization) techniques have traditionally focused on answering questions related to speech intelligibility or musical quality, typically in large volumetric spaces. More recently, auralization techniques have been found to be important for the externalization of headphone-reproduced virtual acoustic images. Although externalization can be accomplished using a minimal simulation, data indicate that realistic auralizations need to be responsive to head motion cues for accurate localization. Computational demands increase when providing for the simulation of coupled spaces, small rooms lacking meaningful reverberant decays, or reflective surfaces in outdoor environments. Auditory threshold data for both early reflections and late reverberant energy levels indicate that much of the information captured in acoustical measurements is inaudible, minimizing the intensive computational requirements of real-time auralization systems. Results are presented for early reflection thresholds as a function of azimuth angle, arrival time, and sound-source type, and reverberation thresholds as a function of reverberation time and level within 250-Hz-2-kHz octave bands. Good agreement is found between data obtained in virtual room simulations and those obtained in real rooms, allowing a strategy for minimizing computational requirements of real-time auralization systems.

  17. Realistic Scheduling Mechanism for Smart Homes

    Directory of Open Access Journals (Sweden)

    Danish Mahmood

    2016-03-01

    Full Text Available In this work, we propose a Realistic Scheduling Mechanism (RSM to reduce user frustration and enhance appliance utility by classifying appliances with respective constraints and their time of use effectively. Algorithms are proposed regarding functioning of home appliances. A 24 hour time slot is divided into four logical sub-time slots, each composed of 360 min or 6 h. In these sub-time slots, only desired appliances (with respect to appliance classification are scheduled to raise appliance utility, restricting power consumption by a dynamically modelled power usage limiter that does not only take the electricity consumer into account but also the electricity supplier. Once appliance, time and power usage limiter modelling is done, we use a nature-inspired heuristic algorithm, Binary Particle Swarm Optimization (BPSO, optimally to form schedules with given constraints representing each sub-time slot. These schedules tend to achieve an equilibrium amongst appliance utility and cost effectiveness. For validation of the proposed RSM, we provide a comparative analysis amongst unscheduled electrical load usage, scheduled directly by BPSO and RSM, reflecting user comfort, which is based upon cost effectiveness and appliance utility.

  18. Comparing Realistic Subthalamic Nucleus Neuron Models

    Science.gov (United States)

    Njap, Felix; Claussen, Jens C.; Moser, Andreas; Hofmann, Ulrich G.

    2011-06-01

    The mechanism of action of clinically effective electrical high frequency stimulation is still under debate. However, recent evidence points at the specific activation of GABA-ergic ion channels. Using a computational approach, we analyze temporal properties of the spike trains emitted by biologically realistic neurons of the subthalamic nucleus (STN) as a function of GABA-ergic synaptic input conductances. Our contribution is based on a model proposed by Rubin and Terman and exhibits a wide variety of different firing patterns, silent, low spiking, moderate spiking and intense spiking activity. We observed that most of the cells in our network turn to silent mode when we increase the GABAA input conductance above the threshold of 3.75 mS/cm2. On the other hand, insignificant changes in firing activity are observed when the input conductance is low or close to zero. We thus reproduce Rubin's model with vanishing synaptic conductances. To quantitatively compare spike trains from the original model with the modified model at different conductance levels, we apply four different (dis)similarity measures between them. We observe that Mahalanobis distance, Victor-Purpura metric, and Interspike Interval distribution are sensitive to different firing regimes, whereas Mutual Information seems undiscriminative for these functional changes.

  19. Simulation of microarray data with realistic characteristics

    Directory of Open Access Journals (Sweden)

    Lehmussola Antti

    2006-07-01

    Full Text Available Abstract Background Microarray technologies have become common tools in biological research. As a result, a need for effective computational methods for data analysis has emerged. Numerous different algorithms have been proposed for analyzing the data. However, an objective evaluation of the proposed algorithms is not possible due to the lack of biological ground truth information. To overcome this fundamental problem, the use of simulated microarray data for algorithm validation has been proposed. Results We present a microarray simulation model which can be used to validate different kinds of data analysis algorithms. The proposed model is unique in the sense that it includes all the steps that affect the quality of real microarray data. These steps include the simulation of biological ground truth data, applying biological and measurement technology specific error models, and finally simulating the microarray slide manufacturing and hybridization. After all these steps are taken into account, the simulated data has realistic biological and statistical characteristics. The applicability of the proposed model is demonstrated by several examples. Conclusion The proposed microarray simulation model is modular and can be used in different kinds of applications. It includes several error models that have been proposed earlier and it can be used with different types of input data. The model can be used to simulate both spotted two-channel and oligonucleotide based single-channel microarrays. All this makes the model a valuable tool for example in validation of data analysis algorithms.

  20. Convective aggregation in idealised models and realistic equatorial cases

    Science.gov (United States)

    Holloway, Chris

    2015-04-01

    Idealised explicit convection simulations of the Met Office Unified Model are shown to exhibit spontaneous self-aggregation in radiative-convective equilibrium, as seen previously in other models in several recent studies. This self-aggregation is linked to feedbacks between radiation, surface fluxes, and convection, and the organization is intimately related to the evolution of the column water vapour (CWV) field. To investigate the relevance of this behaviour to the real world, these idealized simulations are compared with five 15-day cases of real organized convection in the tropics, including multiple simulations of each case testing sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. Despite similar large-scale forcing via lateral boundary conditions, systematic differences in mean CWV, CWV distribution shape, and the length scale of CWV features are found between the different sensitivity runs, showing that there are at least some similarities in sensitivities to these feedbacks in both idealized and realistic simulations.

  1. Atomistic simulations of graphite etching at realistic time scales.

    Science.gov (United States)

    Aussems, D U B; Bal, K M; Morgan, T W; van de Sanden, M C M; Neyts, E C

    2017-10-01

    Hydrogen-graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe time-scale limitations. In this work we apply the recently developed Collective Variable-Driven Hyperdynamics (CVHD) method to hydrogen etching of graphite for varying inter-impact times up to a realistic value of 1 ms, which corresponds to a flux of ∼10 20 m -2 s -1 . The results show that the erosion yield, hydrogen surface coverage and species distribution are significantly affected by the time between impacts. This can be explained by the higher probability of C-C bond breaking due to the prolonged exposure to thermal stress and the subsequent transition from ion- to thermal-induced etching. This latter regime of thermal-induced etching - chemical erosion - is here accessed for the first time using atomistic simulations. In conclusion, this study demonstrates that accounting for long time-scales significantly affects ion bombardment simulations and should not be neglected in a wide range of conditions, in contrast to what is typically assumed.

  2. Adapting realist synthesis methodology: The case of workplace harassment interventions.

    Science.gov (United States)

    Carr, Tracey; Quinlan, Elizabeth; Robertson, Susan; Gerrard, Angie

    2017-12-01

    Realist synthesis techniques can be used to assess complex interventions by extracting and synthesizing configurations of contexts, mechanisms, and outcomes found in the literature. Our novel and multi-pronged approach to the realist synthesis of workplace harassment interventions describes our pursuit of theory to link macro and program level theories. After discovering the limitations of a dogmatic approach to realist synthesis, we adapted our search strategy and focused our analysis on a subset of data. We tailored our realist synthesis to understand how, why, and under what circumstances workplace harassment interventions are effective. The result was a conceptual framework to test our theory-based interventions and provide the basis for subsequent realist evaluation. Our experience documented in this article contributes to an understanding of how, under what circumstances, and with what consequences realist synthesis principles can be customized. Copyright © 2017 John Wiley & Sons, Ltd.

  3. Evaluation of interatomic potentials for rainbow scattering under axial channeling at KCl(0 0 1) surface by three-dimensional computer simulations based on binary collision approximation

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

    2017-05-01

    The rainbow angles corresponding to prominent peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly influenced by the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface, being experimentally obtained by Specht et al. for RS of He, N, Ne and Ar atoms under 〈1 0 0〉 and 〈1 1 0〉 axial channeling conditions at a KCl(0 0 1) surface with projectile energies of 1–60 keV, was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Good agreement between the ACOCT results using the ZBL pair potential and the individual pair potentials calculated from Hartree-Fock (HF) wave functions and the experimental ones was found for RS of He, N and Ne atoms from the atomic rows along 〈1 0 0〉 direction. For 〈1 1 0〉 direction, the ACOCT results employing the Moliere pair potential with adjustable screening length of O’Connor-Biersack (OB) formula, the ZBL pair potential and the individual HF pair potentials except for Ar → KCl using the OB pair potential are nearly in agreement with the experimental ones.

  4. Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Taller, Stephen A. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States); Bai, Xian-Ming, E-mail: xianming.bai@inl.gov [Fuels Modeling and Simulation Department, Idaho National Laboratory, Idaho Falls, ID 83415 (United States)

    2013-11-15

    The irradiation in nuclear reactors creates many point defects and defect clusters in uranium dioxide (UO{sub 2}) and their evolution severely degrades the thermal and mechanical properties of the nuclear fuels. Previously many empirical interatomic potentials have been developed for modeling defect production and evolution in UO{sub 2}. However, the properties of defect clusters and extended defects are usually not fitted into these potentials. In this work nine interatomic potentials for UO{sub 2} are examined by using molecular statics and molecular dynamics to assess their applicability in predicting the properties of various types of defect clusters in UO{sub 2}. The binding energies and structures for these defect clusters have been evaluated for each potential. In addition, the surface energies of voids of different radii and (1 1 0) flat surfaces predicted by these potentials are also evaluated. It is found that both good agreement and significant discrepancies exist for these potentials in predicting these properties. For oxygen interstitial clusters, these potentials predict significantly different defect cluster structures and stabilities; For defect clusters consisting of both uranium and oxygen defects, the prediction is in better agreement; The surface energies predicted by these potentials have significant discrepancies, and some of them are much higher than the experimentally measured values. The results from this work can provide insight on interpreting the outcome of atomistic modeling of defect production using these potentials and may provide guidelines for choosing appropriate potential models to study problems of interest in UO{sub 2}.

  5. Evaluation of interatomic potentials for noble gas atoms from rainbow scattering under axial channeling at Ag(1 1 1) surface by computer simulations based on binary collision approximation

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

    2016-01-01

    The rainbow angles corresponding to pronounced peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly dependent on the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface that has been experimentally obtained by Schüller and Winter (SW) (2007) for RS of He, Ne and Ar atoms from a Ag(1 1 1) surface with projectile energies of 3–60 keV was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Consequently, the ACOCT results employing the Moliere pair potential with screening length correction close to adjustable one of O’Connor and Biersack (OB) formula are almost in agreement with the experimental ones, being self-consistent with the SW’s ones analyzed by computer simulations of classical trajectory calculations as RS from corrugated equipotential planes based on continuum potentials including the Moliere pair potential with screening length correction of the OB formula.

  6. Realist Stronghold in the Land of Thucydides? - Appraising and Resisting a Realist Tradition in Greece

    Directory of Open Access Journals (Sweden)

    Kyriakos Mikelis

    2015-10-01

    Full Text Available Given the integration of the discipline of International Relations in Greece into the global discipline since a few decades, the article addresses the reflection of the ‘realism in and for the globe’ question to this specific case. Although the argument doesn’t go as far as to ‘recover’ forgotten IR theorists or self-proclaimed realists, a geopolitical dimension of socio-economic thought during interwar addressed concerns which could be related to the intricacies of realpolitik. Then again at current times, certain scholars have been eager to maintain a firm stance in favor of realism, focusing on the work of ancient figures, especially Thucydides or Homer, and on questions of the offensive-defensive realism debate as well as on the connection with the English School, while others have offered fruitful insights matching the broad constructivist agenda. Overall, certain genuine arguments have appeared, reflecting diversified views about sovereignty and its function or mitigation.

  7. 'Semi-realistic'F-term inflation model building in supergravity

    International Nuclear Information System (INIS)

    Kain, Ben

    2008-01-01

    We describe methods for building 'semi-realistic' models of F-term inflation. By semi-realistic we mean that they are built in, and obey the requirements of, 'semi-realistic' particle physics models. The particle physics models are taken to be effective supergravity theories derived from orbifold compactifications of string theory, and their requirements are taken to be modular invariance, absence of mass terms and stabilization of moduli. We review the particle physics models, their requirements and tools and methods for building inflation models

  8. Changes in the vibrational energies and interatomic spacings upon the formation of vacancies in the volume and in the cores of crystallite conjugation regions of polycrystalline transition metals with cubic lattices

    International Nuclear Information System (INIS)

    Klotsman, S.M.; Timofeev, A.N.

    2008-01-01

    Measured changes (ε vac ) i,j of vibrational energy on vacancies formation in i-fields (in volumes and nuclei of crystallite conjugation regions of polycrystalline metals (CCR-PM)): Cr, Mo, Ta, W, Cu, Ir are presented. Changes ε vol of vibrational energy of vacancy nearest environment formed in the metal volume, changes ε FCC of vibrational energy when vacancies formation in CCR nuclei of BCC- and FCC lattices transition metals are discussed. Measured changes ε FCC of vibrational energy, u FCC potential energy and determined sign of interatomic distances changes Δa FCC when formation of split vacancy in the FCC-lattice CCR-PM, changes ε BCC of vibrational energy, u BCC potential energy and determined sign of Δa BCC changes of interatomic distances when vacancies formation in the BCC-lattice CCR-PM are demonstrated. It is noted that the increase of interatomic distances when vacancies formation in the BCC-lattice CCR nucleus of transition metals is conditioned by the the appearance of vacancies alternative structure. Properties of CCR-PM nuclei are more sensitive to interatomic distances changes in the vacancies environment, than to changes of its nearest neighbours numbers [ru

  9. Entrepreneurial Education: A Realistic Alternative for Women and Minorities.

    Science.gov (United States)

    Steward, James F.; Boyd, Daniel R.

    1989-01-01

    Entrepreneurial education is a valid, realistic occupational training alternative for minorities and women in business. Entrepreneurship requires that one become involved with those educational programs that contribute significantly to one's success. (Author)

  10. Student Work Experience: A Realistic Approach to Merchandising Education.

    Science.gov (United States)

    Horridge, Patricia; And Others

    1980-01-01

    Relevant and realistic experiences are needed to prepare the student for a future career. Addresses the results of a survey of colleges and universities in the United States in regard to their student work experience (SWE) in fashion merchandising. (Author)

  11. Achieving successful community engagement: a rapid realist review.

    Science.gov (United States)

    De Weger, E; Van Vooren, N; Luijkx, K G; Baan, C A; Drewes, H W

    2018-04-13

    Community engagement is increasingly seen as crucial to achieving high quality, efficient and collaborative care. However, organisations are still searching for the best and most effective ways to engage citizens in the shaping of health and care services. This review highlights the barriers and enablers for engaging communities in the planning, designing, governing, and/or delivering of health and care services on the macro or meso level. It provides policymakers and professionals with evidence-based guiding principles to implement their own effective community engagement (CE) strategies. A Rapid Realist Review was conducted to investigate how interventions interact with contexts and mechanisms to influence the effectiveness of CE. A local reference panel, consisting of health and care professionals and experts, assisted in the development of the research questions and search strategy. The panel's input helped to refine the review's findings. A systematic search of the peer-reviewed literature was conducted. Eight action-oriented guiding principles were identified: Ensure staff provide supportive and facilitative leadership to citizens based on transparency; foster a safe and trusting environment enabling citizens to provide input; ensure citizens' early involvement; share decision-making and governance control with citizens; acknowledge and address citizens' experiences of power imbalances between citizens and professionals; invest in citizens who feel they lack the skills and confidence to engage; create quick and tangible wins; take into account both citizens' and organisations' motivations. An especially important thread throughout the CE literature is the influence of power imbalances and organisations' willingness, or not, to address such imbalances. The literature suggests that 'meaningful participation' of citizens can only be achieved if organisational processes are adapted to ensure that they are inclusive, accessible and supportive of citizens.

  12. IBM parameters derived from realistic shell-model Hamiltonian via Hn-cooling method

    International Nuclear Information System (INIS)

    Nakada, Hitoshi

    1997-01-01

    There is a certain influence of non-collective degrees-of-freedom even in lowest-lying states of medium-heavy nuclei. This influence seems to be significant for some of the IBM parameters. In order to take it into account, several renormalization approaches have been applied. It has been shown in the previous studies that the influence of the G-pairs is important, but does not fully account for the fitted values. The influence of the non-collective components may be more serious when we take a realistic effective nucleonic interaction. To incorporate this influence into the IBM parameters, we employ the recently developed H n -cooling method. This method is applied to renormalize the wave functions of the states consisting of the SD-pairs, for the Cr-Fe nuclei. On this ground, the IBM Hamiltonian and transition operators are derived from corresponding realistic shell-model operators, for the Cr-Fe nuclei. Together with some features of the realistic interaction, the effects of the non-SD degrees-of-freedom are presented. (author)

  13. Design principles and optimal performance for molecular motors under realistic constraints

    Science.gov (United States)

    Tu, Yuhai; Cao, Yuansheng

    2018-02-01

    The performance of a molecular motor, characterized by its power output and energy efficiency, is investigated in the motor design space spanned by the stepping rate function and the motor-track interaction potential. Analytic results and simulations show that a gating mechanism that restricts forward stepping in a narrow window in configuration space is needed for generating high power at physiologically relevant loads. By deriving general thermodynamics laws for nonequilibrium motors, we find that the maximum torque (force) at stall is less than its theoretical limit for any realistic motor-track interactions due to speed fluctuations. Our study reveals a tradeoff for the motor-track interaction: while a strong interaction generates a high power output for forward steps, it also leads to a higher probability of wasteful spontaneous back steps. Our analysis and simulations show that this tradeoff sets a fundamental limit to the maximum motor efficiency in the presence of spontaneous back steps, i.e., loose-coupling. Balancing this tradeoff leads to an optimal design of the motor-track interaction for achieving a maximum efficiency close to 1 for realistic motors that are not perfectly coupled with the energy source. Comparison with existing data and suggestions for future experiments are discussed.

  14. Realistic Gamow shell model for resonance and continuum in atomic nuclei

    Science.gov (United States)

    Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.

    2018-02-01

    The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.

  15. A linear evolution for non-linear dynamics and correlations in realistic nuclei

    International Nuclear Information System (INIS)

    Levin, E.; Lublinsky, M.

    2004-01-01

    A new approach to high energy evolution based on a linear equation for QCD generating functional is developed. This approach opens a possibility for systematic study of correlations inside targets, and, in particular, inside realistic nuclei. Our results are presented as three new equations. The first one is a linear equation for QCD generating functional (and for scattering amplitude) that sums the 'fan' diagrams. For the amplitude this equation is equivalent to the non-linear Balitsky-Kovchegov equation. The second equation is a generalization of the Balitsky-Kovchegov non-linear equation to interactions with realistic nuclei. It includes a new correlation parameter which incorporates, in a model-dependent way, correlations inside the nuclei. The third equation is a non-linear equation for QCD generating functional (and for scattering amplitude) that in addition to the 'fan' diagrams sums the Glauber-Mueller multiple rescatterings

  16. Modeling of ultrasonic wave propagation in composite laminates with realistic discontinuity representation.

    Science.gov (United States)

    Zelenyak, Andreea-Manuela; Schorer, Nora; Sause, Markus G R

    2018-02-01

    This paper presents a method for embedding realistic defect geometries of a fiber reinforced material in a finite element modeling environment in order to simulate active ultrasonic inspection. When ultrasonic inspection is used experimentally to investigate the presence of defects in composite materials, the microscopic defect geometry may cause signal characteristics that are difficult to interpret. Hence, modeling of this interaction is key to improve our understanding and way of interpreting the acquired ultrasonic signals. To model the true interaction of the ultrasonic wave field with such defect structures as pores, cracks or delamination, a realistic three dimensional geometry reconstruction is required. We present a 3D-image based reconstruction process which converts computed tomography data in adequate surface representations ready to be embedded for processing with finite element methods. Subsequent modeling using these geometries uses a multi-scale and multi-physics simulation approach which results in quantitative A-Scan ultrasonic signals which can be directly compared with experimental signals. Therefore, besides the properties of the composite material, a full transducer implementation, piezoelectric conversion and simultaneous modeling of the attached circuit is applied. Comparison between simulated and experimental signals provides very good agreement in electrical voltage amplitude and the signal arrival time and thus validates the proposed modeling approach. Simulating ultrasound wave propagation in a medium with a realistic shape of the geometry clearly shows a difference in how the disturbance of the waves takes place and finally allows more realistic modeling of A-scans. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Problem Posing with Realistic Mathematics Education Approach in Geometry Learning

    Science.gov (United States)

    Mahendra, R.; Slamet, I.; Budiyono

    2017-09-01

    One of the difficulties of students in the learning of geometry is on the subject of plane that requires students to understand the abstract matter. The aim of this research is to determine the effect of Problem Posing learning model with Realistic Mathematics Education Approach in geometry learning. This quasi experimental research was conducted in one of the junior high schools in Karanganyar, Indonesia. The sample was taken using stratified cluster random sampling technique. The results of this research indicate that the model of Problem Posing learning with Realistic Mathematics Education Approach can improve students’ conceptual understanding significantly in geometry learning especially on plane topics. It is because students on the application of Problem Posing with Realistic Mathematics Education Approach are become to be active in constructing their knowledge, proposing, and problem solving in realistic, so it easier for students to understand concepts and solve the problems. Therefore, the model of Problem Posing learning with Realistic Mathematics Education Approach is appropriately applied in mathematics learning especially on geometry material. Furthermore, the impact can improve student achievement.

  18. Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

    Science.gov (United States)

    Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

    2018-03-01

    Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

  19. Study of the Deformation/Interaction Model: How Interactions Increase the Reaction Barrier

    Directory of Open Access Journals (Sweden)

    Zhiling Liang

    2018-01-01

    Full Text Available The interactions (including weak interactions between dienophiles and dienes play an important role in the Diels-Alder reaction. To elucidate the influence of these interactions on the reactivity, a popular DFT functional and a variational DFT functional corrected with dispersion terms are used to investigate different substituent groups incorporated on the dienophiles and dienes. The bond order is used to track the trajectory of the cycloaddition reaction. The deformation/interaction model is used to obtain the interaction energy from the reactant complex to the inflection point until reaching the saddle point. The interaction energy initially increases with a decrease in the interatomic distance, reaching a maximum value, but then decreases when the dienophiles and dienes come closer. Reduced density gradient and chemical energy component analysis are used to analyse the interaction. Traditional transition state theory and variational transition state theory are used to obtain the reaction rates. The influence of tunneling on the reaction rate is also discussed.

  20. Survey of Approaches to Generate Realistic Synthetic Graphs

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Seung-Hwan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Sangkeun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Powers, Sarah S [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Shankar, Mallikarjun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Imam, Neena [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-10-01

    A graph is a flexible data structure that can represent relationships between entities. As with other data analysis tasks, the use of realistic graphs is critical to obtaining valid research results. Unfortunately, using the actual ("real-world") graphs for research and new algorithm development is difficult due to the presence of sensitive information in the data or due to the scale of data. This results in practitioners developing algorithms and systems that employ synthetic graphs instead of real-world graphs. Generating realistic synthetic graphs that provide reliable statistical confidence to algorithmic analysis and system evaluation involves addressing technical hurdles in a broad set of areas. This report surveys the state of the art in approaches to generate realistic graphs that are derived from fitted graph models on real-world graphs.

  1. Evaluation of photovoltaic panel temperature in realistic scenarios

    International Nuclear Information System (INIS)

    Du, Yanping; Fell, Christopher J.; Duck, Benjamin; Chen, Dong; Liffman, Kurt; Zhang, Yinan; Gu, Min; Zhu, Yonggang

    2016-01-01

    Highlights: • The developed realistic model captures more reasonably the thermal response and hysteresis effects. • The predicted panel temperature is as high as 60 °C under a solar irradiance of 1000 W/m"2 in no-wind weather. • In realistic scenarios, the thermal response normally takes 50–250 s. • The actual heating effect may cause a photoelectric efficiency drop of 2.9–9.0%. - Abstract: Photovoltaic (PV) panel temperature was evaluated by developing theoretical models that are feasible to be used in realistic scenarios. Effects of solar irradiance, wind speed and ambient temperature on the PV panel temperature were studied. The parametric study shows significant influence of solar irradiance and wind speed on the PV panel temperature. With an increase of ambient temperature, the temperature rise of solar cells is reduced. The characteristics of panel temperature in realistic scenarios were analyzed. In steady weather conditions, the thermal response time of a solar cell with a Si thickness of 100–500 μm is around 50–250 s. While in realistic scenarios, the panel temperature variation in a day is different from that in steady weather conditions due to the effect of thermal hysteresis. The heating effect on the photovoltaic efficiency was assessed based on real-time temperature measurement of solar cells in realistic weather conditions. For solar cells with a temperature coefficient in the range of −0.21%∼−0.50%, the current field tests indicated an approximate efficiency loss between 2.9% and 9.0%.

  2. Atom states and interatomic interactions in complex perovskite-like oxides. Communication XX. Origin of electron-ionic conductivity in lanthanum gallates doped with strontium and chromium

    International Nuclear Information System (INIS)

    Chezhina, N.V.; Zolotukhina, N.V.; Pijr, I.V.

    2006-01-01

    Magnetic susceptibilities and electric conductivities of solid solutions based on lanthanum gallate containing chromium and strontium atoms in the ratio of 10 : 2 were studied. It was shown that no partial oxidation of chromium to Cr(IV) occurs when lanthanum gallate is doped with chromium and strontium simultaneously, whereas the ionic conductivity is associated with the appearance of vacancies stabilized by chromium atoms in the oxygen sublattice [ru

  3. Theoretical investigation of CO interaction with copper sites in zeolites: Periodic DFT and hybrid quantum mechanical/interatomic potential function study

    Czech Academy of Sciences Publication Activity Database

    Bludský, Ota; Šilhan, Martin; Nachtigall, Petr; Bucko, T.; Benco, L.; Hafner, J.

    2005-01-01

    Roč. 109, - (2005), s. 9631-9638 ISSN 1089-5647 R&D Projects: GA MŠk(CZ) LC512 Grant - others:Austrian Science Funds(AT) Pl 7020 Institutional research plan: CEZ:AV0Z4055905 Keywords : Cu-exchanged zeolites * carbon-monoxide Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.679, year: 2003

  4. Fatigue - determination of a more realistic usage factor

    International Nuclear Information System (INIS)

    Lang, H.

    2001-01-01

    The ability to use a suitable counting method for determining the stress range spectrum in elastic and simplified elastic-plastic fatigue analyses is of crucial importance for enabling determination of a realistic usage factor. Determination of elastic-plastic strain range using the K e factor from fictitious elastically calculated loads is also important in the event of elastic behaviour being exceeded. This paper thus examines both points in detail. A fatigue module with additional options, which functions on this basis is presented. The much more realistic determination of usage factor presented here offers various economic benefits depending on the application

  5. Putting a Realistic Theory of Mind into Agency Theory

    DEFF Research Database (Denmark)

    Foss, Nicolai Juul; Stea, Diego

    2014-01-01

    Agency theory is one of the most important foundational theories in management research, but it rests on contestable cognitive assumptions. Specifically, the principal is assumed to hold a perfect (correct) theory regarding some of the content of the agent's mind, while he is entirely ignorant...... concerning other such content. More realistically, individuals have some limited access to the minds of others. We explore the implications for classical agency theory of realistic assumptions regarding the human potential for interpersonal sensemaking. We discuss implications for the design and management...

  6. The Electrostatic Instability for Realistic Pair Distributions in Blazar/EBL Cascades

    Science.gov (United States)

    Vafin, S.; Rafighi, I.; Pohl, M.; Niemiec, J.

    2018-04-01

    This work revisits the electrostatic instability for blazar-induced pair beams propagating through the intergalactic medium (IGM) using linear analysis and PIC simulations. We study the impact of the realistic distribution function of pairs resulting from the interaction of high-energy gamma-rays with the extragalactic background light. We present analytical and numerical calculations of the linear growth rate of the instability for the arbitrary orientation of wave vectors. Our results explicitly demonstrate that the finite angular spread of the beam dramatically affects the growth rate of the waves, leading to the fastest growth for wave vectors quasi-parallel to the beam direction and a growth rate at oblique directions that is only a factor of 2–4 smaller compared to the maximum. To study the nonlinear beam relaxation, we performed PIC simulations that take into account a realistic wide-energy distribution of beam particles. The parameters of the simulated beam-plasma system provide an adequate physical picture that can be extrapolated to realistic blazar-induced pairs. In our simulations, the beam looses only 1% of its energy, and we analytically estimate that the beam would lose its total energy over about 100 simulation times. An analytical scaling is then used to extrapolate the parameters of realistic blazar-induced pair beams. We find that they can dissipate their energy slightly faster by the electrostatic instability than through inverse-Compton scattering. The uncertainties arising from, e.g., details of the primary gamma-ray spectrum are too large to make firm statements for individual blazars, and an analysis based on their specific properties is required.

  7. A realistic approach of the quantum non-locality and their experimental consequences

    International Nuclear Information System (INIS)

    Ryff, Luiz Carlos Bandeira.

    1992-01-01

    A realistic approach to quantum nonlocality is proposed, and four experiments that can be used to test this approach, using pairs of correlated photons are discussed. The first experiment proposed would allow us to investigate the role of the interaction of a quantum system with a macroscopic apparatus (detector) in the so-called collapse of the state vector. The second would investigate the interaction with a polarizer. Following the line of the second, the third experiment raises questions concerning the partial collapse of the state vector. The fourth suggests ways of investigating some possible properties of the superluminal interaction needed to explain nonlocality according to realism. The extension of this approach to include pairs of photons produced via parametric down-conversion of light is discussed. (author). 57 refs, 19 figs

  8. A possible definition of a {\\it Realistic} Physics Theory

    OpenAIRE

    Gisin, Nicolas

    2014-01-01

    A definition of a {\\it Realistic} Physics Theory is proposed based on the idea that, at all time, the set of physical properties possessed (at that time) by a system should unequivocally determine the probabilities of outcomes of all possible measurements.

  9. Evaluation of Highly Realistic Training for Independent Duty Corpsmen Students

    Science.gov (United States)

    2015-05-21

    that he or she can perform desired actions or behaviors ( Bandura , 1977). In the present study, three types of self-efficacy were assessed: general...such as resilience. IDC Highly Realistic Training 10 REFERENCES Bandura , A (1977). Self-efficacy: Toward a unifying theory of behavioral

  10. Using a Realist Research Methodology in Policy Analysis

    Science.gov (United States)

    Lourie, Megan; Rata, Elizabeth

    2017-01-01

    The article describes the usefulness of a realist methodology in linking sociological theory to empirically obtained data through the development of a methodological device. Three layers of analysis were integrated: 1. the findings from a case study about Maori language education in New Zealand; 2. the identification and analysis of contradictions…

  11. Automated Finger Spelling by Highly Realistic 3D Animation

    Science.gov (United States)

    Adamo-Villani, Nicoletta; Beni, Gerardo

    2004-01-01

    We present the design of a new 3D animation tool for self-teaching (signing and reading) finger spelling the first basic component in learning any sign language. We have designed a highly realistic hand with natural animation of the finger motions. Smoothness of motion (in real time) is achieved via programmable blending of animation segments. The…

  12. Creating a Realistic Context for Team Projects in HCI

    NARCIS (Netherlands)

    Koppelman, Herman; van Dijk, Betsy

    2006-01-01

    Team projects are nowadays common practice in HCI education. This paper focuses on the role of clients and users in team projects in introductory HCI courses. In order to provide projects with a realistic context we invite people from industry to serve as clients for the student teams. Some of them

  13. Generalized Warburg impedance on realistic self-affine fractals ...

    Indian Academy of Sciences (India)

    Administrator

    Generalized Warburg impedance on realistic self-affine fractals: Comparative study of statistically corrugated and isotropic roughness. RAJESH KUMAR and RAMA KANT. Journal of Chemical Sciences, Vol. 121, No. 5, September 2009, pp. 579–588. 1. ( ) c. L. R ω on page 582, column 2, para 2, after eq (8) should read as ...

  14. Numerical computation of aeroacoustic transfer functions for realistic airfoils

    NARCIS (Netherlands)

    De Santana, Leandro Dantas; Miotto, Renato Fuzaro; Wolf, William Roberto

    2017-01-01

    Based on Amiet's theory formalism, we propose a numerical framework to compute the aeroacoustic transfer function of realistic airfoil geometries. The aeroacoustic transfer function relates the amplitude and phase of an incoming periodic gust to the respective unsteady lift response permitting,

  15. An Overview of Westinghouse Realistic Large Break LOCA Evaluation Model

    Directory of Open Access Journals (Sweden)

    Cesare Frepoli

    2008-01-01

    Full Text Available Since the 1988 amendment of the 10 CFR 50.46 rule in 1988, Westinghouse has been developing and applying realistic or best-estimate methods to perform LOCA safety analyses. A realistic analysis requires the execution of various realistic LOCA transient simulations where the effect of both model and input uncertainties are ranged and propagated throughout the transients. The outcome is typically a range of results with associated probabilities. The thermal/hydraulic code is the engine of the methodology but a procedure is developed to assess the code and determine its biases and uncertainties. In addition, inputs to the simulation are also affected by uncertainty and these uncertainties are incorporated into the process. Several approaches have been proposed and applied in the industry in the framework of best-estimate methods. Most of the implementations, including Westinghouse, follow the Code Scaling, Applicability and Uncertainty (CSAU methodology. Westinghouse methodology is based on the use of the WCOBRA/TRAC thermal-hydraulic code. The paper starts with an overview of the regulations and its interpretation in the context of realistic analysis. The CSAU roadmap is reviewed in the context of its implementation in the Westinghouse evaluation model. An overview of the code (WCOBRA/TRAC and methodology is provided. Finally, the recent evolution to nonparametric statistics in the current edition of the W methodology is discussed. Sample results of a typical large break LOCA analysis for a PWR are provided.

  16. Empirical Evidence for Niss' "Implemented Anticipation" in Mathematising Realistic Situations

    Science.gov (United States)

    Stillman, Gloria; Brown, Jill P.

    2012-01-01

    Mathematisation of realistic situations is an on-going focus of research. Classroom data from a Year 9 class participating in a program of structured modelling of real situations was analysed for evidence of Niss's theoretical construct, implemented anticipation, during mathematisation. Evidence was found for two of three proposed aspects. In…

  17. Nuclear properties with realistic Hamiltonians through spectral distribution theory

    International Nuclear Information System (INIS)

    Vary, J.P.; Belehrad, R.; Dalton, B.J.

    1979-01-01

    Motivated by the need of non-perturbative methods for utilizing realistic nuclear Hamiltonians H, the authors use spectral distribution theory, based on calculated moments of H, to obtain specific bulk and valence properties of finite nuclei. The primary emphasis here is to present results for the binding energies of nuclei obtained with and without an assumed core. (Auth.)

  18. Two-Capacitor Problem: A More Realistic View.

    Science.gov (United States)

    Powell, R. A.

    1979-01-01

    Discusses the two-capacitor problem by considering the self-inductance of the circuit used and by determining how well the usual series RC circuit approximates the two-capacitor problem when realistic values of L, C, and R are chosen. (GA)

  19. Rethinking Mathematics Teaching in Liberia: Realistic Mathematics Education

    Science.gov (United States)

    Stemn, Blidi S.

    2017-01-01

    In some African cultures, the concept of division does not necessarily mean sharing money or an item equally. How an item is shared might depend on the ages of the individuals involved. This article describes the use of the Realistic Mathematics Education (RME) approach to teach division word problems involving money in a 3rd-grade class in…

  20. Improving Mathematics Teaching in Kindergarten with Realistic Mathematical Education

    Science.gov (United States)

    Papadakis, Stamatios; Kalogiannakis, Michail; Zaranis, Nicholas

    2017-01-01

    The present study investigates and compares the influence of teaching Realistic Mathematics on the development of mathematical competence in kindergarten. The sample consisted of 231 Greek kindergarten students. For the implementation of the survey, we conducted an intervention, which included one experimental and one control group. Children in…

  1. Towards a Realist Sociology of Education: A Polyphonic Review Essay

    Science.gov (United States)

    Grenfell, Michael; Hood, Susan; Barrett, Brian D.; Schubert, Dan

    2017-01-01

    This review essay evaluates Karl Maton's "Knowledge and Knowers: Towards a Realist Sociology of Education" as a recent examination of the sociological causes and effects of education in the tradition of the French social theorist Pierre Bourdieu and the British educational sociologist Basil Bernstein. Maton's book synthesizes the…

  2. Principles of maximally classical and maximally realistic quantum ...

    Indian Academy of Sciences (India)

    Principles of maximally classical and maximally realistic quantum mechanics. S M ROY. Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005, India. Abstract. Recently Auberson, Mahoux, Roy and Singh have proved a long standing conjecture of Roy and Singh: In 2N-dimensional phase space, ...

  3. Place of a Realistic Teacher Education Pedagogy in an ICT ...

    African Journals Online (AJOL)

    This article is based on a study undertaken to examine the impact of introducing a realistic teacher education pedagogy (RTEP) oriented learning environment supported by ICT on distance teacher education in Uganda. It gives an overview of the quality, quantity and training of teachers in primary and secondary schools

  4. Elements of a realistic 17 GHz FEL/TBA design

    International Nuclear Information System (INIS)

    Hopkins, D.B.; Halbach, K.; Hoyer, E.H.; Sessler, A.M.; Sternbach, E.J.

    1989-01-01

    Recently, renewed interest in an FEL version of a two-beam accelerator (TBA) has prompted a study of practical system and structure designs for achieving the specified physics goals. This paper presents elements of a realistic design for an FEL/TBA suitable for a 1 TeV, 17 GHz linear collider. 13 refs., 8 figs., 2 tabs

  5. Realist synthesis: illustrating the method for implementation research

    Directory of Open Access Journals (Sweden)

    Rycroft-Malone Jo

    2012-04-01

    Full Text Available Abstract Background Realist synthesis is an increasingly popular approach to the review and synthesis of evidence, which focuses on understanding the mechanisms by which an intervention works (or not. There are few published examples of realist synthesis. This paper therefore fills a gap by describing, in detail, the process used for a realist review and synthesis to answer the question ‘what interventions and strategies are effective in enabling evidence-informed healthcare?’ The strengths and challenges of conducting realist review are also considered. Methods The realist approach involves identifying underlying causal mechanisms and exploring how they work under what conditions. The stages of this review included: defining the scope of the review (concept mining and framework formulation; searching for and scrutinising the evidence; extracting and synthesising the evidence; and developing the narrative, including hypotheses. Results Based on key terms and concepts related to various interventions to promote evidence-informed healthcare, we developed an outcome-focused theoretical framework. Questions were tailored for each of four theory/intervention areas within the theoretical framework and were used to guide development of a review and data extraction process. The search for literature within our first theory area, change agency, was executed and the screening procedure resulted in inclusion of 52 papers. Using the questions relevant to this theory area, data were extracted by one reviewer and validated by a second reviewer. Synthesis involved organisation of extracted data into evidence tables, theming and formulation of chains of inference, linking between the chains of inference, and hypothesis formulation. The narrative was developed around the hypotheses generated within the change agency theory area. Conclusions Realist synthesis lends itself to the review of complex interventions because it accounts for context as well as

  6. The KNK II/1 fuel assembly NY-205: Compilation of the irradiation history and the fuel and fuel pin fabrication data of the INTERATOM data bank system BESEX

    International Nuclear Information System (INIS)

    Patzer, G.; Geier, F.

    1988-01-01

    The fuel assembly NY-205 has been irradiated during the first and the second core of KNK II with a total residence time of 832 equivalent full-power days. A maximum burnup of 175.000 MWd/tHM or 18.6 % was reached with a maximum steel damage of 66 dpa-NRT. For the cladding the materials 1.4970 and 1.4981 have been used in different metallurgical conditions, and for the Uranium/Plutonium mixed- oxide fuel the most important variants of the major fabrication parameters had been realized. The assembly will be brought to the Hot Cells of the KfK Karlsruhe for post-irradiation examination in February 1988, so that the knowledge of the fabrication data is of interest for the selection of fuel pins and for the evaluation of the examination results. Therefore this report compiles the fuel and fuel pin fabrication data from the INTERATOM data bank system BESEX and additionally, an overview of the irradiation history of the assembly is given [de

  7. Orientation-dependent crystal instability of gamma-TiAl in nanoindentation investigated by a multiscale interatomic potential finite-element model

    International Nuclear Information System (INIS)

    Xiong, Kai; Liu, Xiaohui; Gu, Jianfeng

    2014-01-01

    The anisotropic mechanical behavior of γ-TiAl alloys has been observed and repeatedly reported, but the effect of crystallographic orientations on the crystal instability of γ-TiAl is still unclear. In this paper, the orientation-dependent crystal instability of γ-TiAl single crystals was investigated by performing nanoindentation on different crystal surfaces. All the nanoindentations are simulated using an interatomic potential finite-element model (IPFEM). Simulation results show that the load–displacement curves, critical indentation depth and critical load for crystal instability as well as indentation modulus, are all associated with surface orientations. The active slip systems and the location of crystal instability in five typical nanoindentations are analyzed in detail, i.e. the (0 0 1), (1 0 0), (1 0 1), (1 1 0) and (1 1 1) crystal surfaces. The predicted crystal instability sites and the activated slipping systems in the IPFEM simulations are in good agreement with the dislocation nucleation in molecular dynamics simulations. (paper)

  8. Dzyaloshinskii-Moriya interaction and magnetic anisotropies in Uranium compounds

    Science.gov (United States)

    Sandratskii, L. M.

    2018-05-01

    We report on the first-principles study of complex noncollinear magnetic structures in Uranium compounds. We contrast two cases. The first is the periodic magnetic structure of U2Pd2In with exactly orthogonal atomic moments, the second is an incommensurate plane spiral structure of UPtGe where the angle between atomic moments of nearest neighbors is also close to 90°. We demonstrate that the hierarchy of magnetic interactions leading to the formation of the magnetic structure is opposite in the two cases. In U2Pd2In, the magnetic anisotropy plays the leading role, followed by the Dzyaloshinskii-Moriya interaction (DMI) interaction specifying the chirality of the structure. Here, the interatomic exchange interaction does not play important role. In UPtGe the hierarchy of the interactions is opposite. The leading interaction is the interatomic exchange interaction responsible for the formation of the incommensurate spiral structure followed by the DMI responsible for the selected chirality of the helix. The magnetic anisotropy is very weak that is a prerequisite for keeping the distortion of the helical structure weak.

  9. Analytical W–He and H–He interatomic potentials for a W–H–He system

    International Nuclear Information System (INIS)

    Li Xiaochun; Shu Xiaolin; Liu Yinan; Yu Yi; Gao, F.; Lu Guanghong

    2012-01-01

    We have constructed W–He and H–He analytical bond-order potentials for a W–H–He system. In combination with the previously self-developed W–H potential [X.-C. Li, X. Shu, Y.-N. Liu, F. Gao, G.-H. Lu, J. Nucl. Mater. 408 (2011) 12] and the Hartree–Fock-dispersion pair potential (Aziz-potential) for He−He interactions, we demonstrate that such potentials behave well for reproducing various properties of the W–H–He system such as defect formation energies, structural properties, and diffusion barriers. Such potentials can be employed to model both the He behaviours and the H–He synergetic effects in the W–H–He system.

  10. Effect on cavity optomechanics of the interaction between a cavity field and a one-dimensional interacting bosonic gas

    International Nuclear Information System (INIS)

    Sun Qing; Hu Xinghua; Liu, W. M.; Xie, X. C.; Ji Anchun

    2011-01-01

    We investigate optomechanical coupling between one-dimensional interacting bosons and the electromagnetic field in a high-finesse optical cavity. We show that by tuning interatomic interactions, one can realize effective optomechanics with mechanical resonators ranging from side-mode excitations of a Bose-Einstein condensate (BEC) to particle-hole excitations of a Tonks-Girardeau (TG) gas. We propose that this unique feature can be formulated to detect the BEC-TG gas crossover and measure the sine-Gordon transition continuously and nondestructively.

  11. Effects of realistic force feedback in a robotic assisted minimally invasive surgery system.

    Science.gov (United States)

    Moradi Dalvand, Mohsen; Shirinzadeh, Bijan; Nahavandi, Saeid; Smith, Julian

    2014-06-01

    Robotic assisted minimally invasive surgery systems not only have the advantages of traditional laparoscopic procedures but also restore the surgeon's hand-eye coordination and improve the surgeon's precision by filtering hand tremors. Unfortunately, these benefits have come at the expense of the surgeon's ability to feel. Several research efforts have already attempted to restore this feature and study the effects of force feedback in robotic systems. The proposed methods and studies have some shortcomings. The main focus of this research is to overcome some of these limitations and to study the effects of force feedback in palpation in a more realistic fashion. A parallel robot assisted minimally invasive surgery system (PRAMiSS) with force feedback capabilities was employed to study the effects of realistic force feedback in palpation of artificial tissue samples. PRAMiSS is capable of actually measuring the tip/tissue interaction forces directly from the surgery site. Four sets of experiments using only vision feedback, only force feedback, simultaneous force and vision feedback and direct manipulation were conducted to evaluate the role of sensory feedback from sideways tip/tissue interaction forces with a scale factor of 100% in characterising tissues of varying stiffness. Twenty human subjects were involved in the experiments for at least 1440 trials. Friedman and Wilcoxon signed-rank tests were employed to statistically analyse the experimental results. Providing realistic force feedback in robotic assisted surgery systems improves the quality of tissue characterization procedures. Force feedback capability also increases the certainty of characterizing soft tissues compared with direct palpation using the lateral sides of index fingers. The force feedback capability can improve the quality of palpation and characterization of soft tissues of varying stiffness by restoring sense of touch in robotic assisted minimally invasive surgery operations.

  12. Protocol for a realist review of workplace learning in postgraduate medical education and training.

    Science.gov (United States)

    Wiese, Anel; Kilty, Caroline; Bergin, Colm; Flood, Patrick; Fu, Na; Horgan, Mary; Higgins, Agnes; Maher, Bridget; O'Kane, Grainne; Prihodova, Lucia; Slattery, Dubhfeasa; Bennett, Deirdre

    2017-01-19

    Postgraduate medical education and training (PGMET) is a complex social process which happens predominantly during the delivery of patient care. The clinical learning environment (CLE), the context for PGMET, shapes the development of the doctors who learn and work within it, ultimately impacting the quality and safety of patient care. Clinical workplaces are complex, dynamic systems in which learning emerges from non-linear interactions within a network of related factors and activities. Those tasked with the design and delivery of postgraduate medical education and training need to understand the relationship between the processes of medical workplace learning and these contextual elements in order to optimise conditions for learning. We propose to conduct a realist synthesis of the literature to address the overarching questions; how, why and in what circumstances do doctors learn in clinical environments? This review is part of a funded projected with the overall aim of producing guidelines and recommendations for the design of high quality clinical learning environments for postgraduate medical education and training. We have chosen realist synthesis as a methodology because of its suitability for researching complexity and producing answers useful to policymakers and practitioners. This realist synthesis will follow the steps and procedures outlined by Wong et al. in the RAMESES Publication Standards for Realist Synthesis and the Realist Synthesis RAMESES Training Materials. The core research team is a multi-disciplinary group of researchers, clinicians and health professions educators. The wider research group includes experts in organisational behaviour and human resources management as well as the key stakeholders; doctors in training, patient representatives and providers of PGMET. This study will draw from the published literature and programme, and substantive, theories of workplace learning, to describe context, mechanism and outcome configurations for

  13. Estimate of repulsive interatomic pair potentials by low-energy alkali-metal-ion scattering and computer simulation

    International Nuclear Information System (INIS)

    Ghrayeb, R.; Purushotham, M.; Hou, M.; Bauer, E.

    1987-01-01

    Low-energy ion scattering is used in combination with computer simulation to study the interaction potential between 600-eV potassium ions and atoms in metallic surfaces. A special algorithm is described which is used with the computer simulation code marlowes. This algorithm builds up impact areas on the simulated solid surface from which scattering cross sections can be estimated with an accuracy better than 1%. This can be done by calculating no more than a couple of thousand trajectories. The screening length in the Moliere approximation to the Thomas-Fermi potential is fitted in such a way that the ratio between the calculated cross sections for double and single scattering matches the scattering intensity ratio measured experimentally and associated with the same mechanisms. The consistency of the method is checked by repeating the procedure for different incidence conditions and also by predicting the intensities associated with other surface scattering mechanisms. The screening length estimates are found to be insensitive to thermal vibrations. The calculated ratios between scattering cross sections by different processes are suggested to be sensitive enough to the relative atomic positions in order to be useful in surface-structure characterization

  14. Realistic Visualization of Virtual Views and Virtual Cinema

    DEFF Research Database (Denmark)

    Livatino, Salvatore

    2005-01-01

    Realistic Virtual View Visualization is a new field of research which has received increasing attention in recent years. It is strictly related to the increased popularity of virtual reality and the spread of its applications, among which virtual photography and cinematography. The use of computer...... generated characters, "virtual actors", in the motion picture production increases every day. While the most known computer graphics techniques have largely been adopted successfully in nowadays fictions, it still remains very challenging to implement virtual actors which would resemble, visually, human...... beings. Interestingly, film directors have been looking at the recent progress achieved by the research community in the field of realistic visualization of virtual views, and they have successfully implemented state of the art research approaches in their productions. An innovative concept...

  15. Photo-Realistic Image Synthesis and Virtual Cinematography

    DEFF Research Database (Denmark)

    Livatino, Salvatore

    2005-01-01

    Realistic Virtual View Synthesis is a new field of research that has received increasing attention in recent years. It is strictly related to the grown popularity of virtual reality and the spread of its applications, among which virtual photography and cinematography. The use of computer generated...... characters, "virtual actors", in the motion picture production increases every day. While the most known computer graphics techniques have largely been adopted successfully in nowadays fictions, it still remains very challenging to implement virtual actors which would resemble, visually, human beings....... Interestingly, film directors have been looking at the recent progress achieved by the research community in the field of realistic visualization of virtual views, and they have successfully implemented state of the art research approaches in their productions. An innovative concept is then gaining consensus...

  16. Interferometric data modelling: issues in realistic data generation

    International Nuclear Information System (INIS)

    Mukherjee, Soma

    2004-01-01

    This study describes algorithms developed for modelling interferometric noise in a realistic manner, i.e. incorporating non-stationarity that can be seen in the data from the present generation of interferometers. The noise model is based on individual component models (ICM) with the application of auto regressive moving average (ARMA) models. The data obtained from the model are vindicated by standard statistical tests, e.g. the KS test and Akaike minimum criterion. The results indicate a very good fit. The advantage of using ARMA for ICMs is that the model parameters can be controlled and hence injection and efficiency studies can be conducted in a more controlled environment. This realistic non-stationary noise generator is intended to be integrated within the data monitoring tool framework

  17. Role-playing for more realistic technical skills training.

    Science.gov (United States)

    Nikendei, C; Zeuch, A; Dieckmann, P; Roth, C; Schäfer, S; Völkl, M; Schellberg, D; Herzog, W; Jünger, J

    2005-03-01

    Clinical skills are an important and necessary part of clinical competence. Simulation plays an important role in many fields of medical education. Although role-playing is common in communication training, there are no reports about the use of student role-plays in the training of technical clinical skills. This article describes an educational intervention with analysis of pre- and post-intervention self-selected student survey evaluations. After one term of skills training, a thorough evaluation showed that the skills-lab training did not seem very realistic nor was it very demanding for trainees. To create a more realistic training situation and to enhance students' involvement, case studies and role-plays with defined roles for students (i.e. intern, senior consultant) were introduced into half of the sessions. Results of the evaluation in the second term showed that sessions with role-playing were rated significantly higher than sessions without role-playing.

  18. Realistic minimum accident source terms - Evaluation, application, and risk acceptance

    International Nuclear Information System (INIS)

    Angelo, P. L.

    2009-01-01

    The evaluation, application, and risk acceptance for realistic minimum accident source terms can represent a complex and arduous undertaking. This effort poses a very high impact to design, construction cost, operations and maintenance, and integrated safety over the expected facility lifetime. At the 2005 Nuclear Criticality Safety Division (NCSD) Meeting in Knoxville Tenn., two papers were presented mat summarized the Y-12 effort that reduced the number of criticality accident alarm system (CAAS) detectors originally designed for the new Highly Enriched Uranium Materials Facility (HEUMF) from 258 to an eventual as-built number of 60. Part of that effort relied on determining a realistic minimum accident source term specific to the facility. Since that time, the rationale for an alternate minimum accident has been strengthened by an evaluation process that incorporates realism. A recent update to the HEUMF CAAS technical basis highlights the concepts presented here. (authors)

  19. Realistic electricity market simulator for energy and economic studies

    International Nuclear Information System (INIS)

    Bernal-Agustin, Jose L.; Contreras, Javier; Conejo, Antonio J.; Martin-Flores, Raul

    2007-01-01

    Electricity market simulators have become a useful tool to train engineers in the power industry. With the maturing of electricity markets throughout the world, there is a need for sophisticated software tools that can replicate the actual behavior of power markets. In most of these markets, power producers/consumers submit production/demand bids and the Market Operator clears the market producing a single price per hour. What makes markets different from each other are the bidding rules and the clearing algorithms to balance the market. This paper presents a realistic simulator of the day-ahead electricity market of mainland Spain. All the rules that govern this market are modeled. This simulator can be used either to train employees by power companies or to teach electricity markets courses in universities. To illustrate the tool, several realistic case studies are presented and discussed. (author)

  20. Facilities upgrade for natural forces: traditional vs. realistic approach

    International Nuclear Information System (INIS)

    Terkun, V.

    1985-01-01

    The traditional method utilized for upgrading existing buildings and equipment involves the following steps: performs structural study using finite element analysis and some in situ testing; compare predicted member forces/stresses to material code allowables; determine strengthening schemes for those structural members judged to be weak; estimate cost for required upgrades. This approach will result in structural modifications that are not only conservative but very expensive as well. The realistic structural evaluation approach uses traditional data to predict structural weaknesses as a final step. Next, using considerable information now available for buildings and equipment exposed to natural hazards, engineering judgments about structures being evaluated can be made with a great deal of confidence. This approach does not eliminate conservatism entirely, but it does reduce it to a reasonable and realistic level. As a result, the upgrade cost goes down without compromising the low risk necessary for vital facilities

  1. Realistic full wave modeling of focal plane array pixels.

    Energy Technology Data Exchange (ETDEWEB)

    Campione, Salvatore [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Electromagnetic Theory Dept.; Warne, Larry K. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Electromagnetic Theory Dept.; Jorgenson, Roy E. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Electromagnetic Theory Dept.; Davids, Paul [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Applied Photonic Microsystems Dept.; Peters, David W. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Applied Photonic Microsystems Dept.

    2017-11-01

    Here, we investigate full-wave simulations of realistic implementations of multifunctional nanoantenna enabled detectors (NEDs). We focus on a 2x2 pixelated array structure that supports two wavelengths of operation. We design each resonating structure independently using full-wave simulations with periodic boundary conditions mimicking the whole infinite array. We then construct a supercell made of a 2x2 pixelated array with periodic boundary conditions mimicking the full NED; in this case, however, each pixel comprises 10-20 antennas per side. In this way, the cross-talk between contiguous pixels is accounted for in our simulations. We observe that, even though there are finite extent effects, the pixels work as designed, each responding at the respective wavelength of operation. This allows us to stress that realistic simulations of multifunctional NEDs need to be performed to verify the design functionality by taking into account finite extent and cross-talk effects.

  2. The work is never ending: uncovering teamwork sustainability using realistic evaluation.

    Science.gov (United States)

    Frykman, Mandus; von Thiele Schwarz, Ulrica; Muntlin Athlin, Åsa; Hasson, Henna; Mazzocato, Pamela

    2017-03-20

    Purpose The purpose of this paper is to uncover the mechanisms influencing the sustainability of behavior changes following the implementation of teamwork. Design/methodology/approach Realistic evaluation was combined with a framework (DCOM®) based on applied behavior analysis to study the sustainability of behavior changes two and a half years after the initial implementation of teamwork at an emergency department. The DCOM® framework was used to categorize the mechanisms of behavior change interventions (BCIs) into the four categories of direction, competence, opportunity, and motivation. Non-participant observation and interview data were used. Findings The teamwork behaviors were not sustained. A substantial fallback in managerial activities in combination with a complex context contributed to reduced direction, opportunity, and motivation. Reduced direction made staff members unclear about how and why they should work in teams. Deterioration of opportunity was evident from the lack of problem-solving resources resulting in accumulated barriers to teamwork. Motivation in terms of management support and feedback was reduced. Practical implications The implementation of complex organizational changes in complex healthcare contexts requires continuous adaption and managerial activities well beyond the initial implementation period. Originality/value By integrating the DCOM® framework with realistic evaluation, this study responds to the call for theoretically based research on behavioral mechanisms that can explain how BCIs interact with context and how this interaction influences sustainability.

  3. Fully Realistic Multi-Criteria Multi-Modal Routing

    OpenAIRE

    Gündling, Felix; Keyhani, Mohammad Hossein; Schnee, Mathias; Weihe, Karsten

    2014-01-01

    We report on a multi-criteria search system, in which the German long- and short-distance trains, local public transport, walking, private car, private bike, and taxi are incorporated. The system is fully realistic. Three optimization criteria are addressed: travel time, travel cost, and convenience. Our algorithmic approach computes a complete Pareto set of reasonable connections. The computational study demonstrates that, even in such a large-scale, highly complex scenario, approp...

  4. Realistically Rendering SoC Traffic Patterns with Interrupt Awareness

    DEFF Research Database (Denmark)

    Angiolini, Frederico; Mahadevan, Sharkar; Madsen, Jan

    2005-01-01

    to generate realistic test traffic. This paper presents a selection of applications using interrupt-based synchronization; a reference methodology to split such applications in execution subflows and to adjust the overall execution stream based upon hardware events; a reactive simulation device capable...... of correctly replicating such software behaviours in the MPSoC design phase. Additionally, we validate the proposed concept by showing cycle-accurate reproduction of a previously traced application flow....

  5. Realistic modeling of chamber transport for heavy-ion fusion

    International Nuclear Information System (INIS)

    Sharp, W.M.; Grote, D.P.; Callahan, D.A.; Tabak, M.; Henestroza, E.; Yu, S.S.; Peterson, P.F.; Welch, D.R.; Rose, D.V.

    2003-01-01

    Transport of intense heavy-ion beams to an inertial-fusion target after final focus is simulated here using a realistic computer model. It is found that passing the beam through a rarefied plasma layer before it enters the fusion chamber can largely neutralize the beam space charge and lead to a usable focal spot for a range of ion species and input conditions

  6. A scan for models with realistic fermion mass patterns

    International Nuclear Information System (INIS)

    Bijnens, J.; Wetterich, C.

    1986-03-01

    We consider models which have no small Yukawa couplings unrelated to symmetry. This situation is generic in higher dimensional unification where Yukawa couplings are predicted to have strength similar to the gauge couplings. Generations have then to be differentiated by symmetry properties and the structure of fermion mass matrices is given in terms of quantum numbers alone. We scan possible symmetries leading to realistic mass matrices. (orig.)

  7. Bell Operator Method to Classify Local Realistic Theories

    International Nuclear Information System (INIS)

    Nagata, Koji

    2010-01-01

    We review the historical fact of multipartite Bell inequalities with an arbitrary number of settings. An explicit local realistic model for the values of a correlation function, given in a two-setting Bell experiment (two-setting model), works only for the specific set of settings in the given experiment, but cannot construct a local realistic model for the values of a correlation function, given in a continuous-infinite settings Bell experiment (infinite-setting model), even though there exist two-setting models for all directions in space. Hence, the two-setting model does not have the property that the infinite-setting model has. Here, we show that an explicit two-setting model cannot construct a local realistic model for the values of a correlation function, given in an M-setting Bell experiment (M-setting model), even though there exist two-setting models for the M measurement directions chosen in the given M-setting experiment. Hence, the two-setting model does not have the property that the M-setting model has. (general)

  8. I-Love relations for incompressible stars and realistic stars

    Science.gov (United States)

    Chan, T. K.; Chan, AtMa P. O.; Leung, P. T.

    2015-02-01

    In spite of the diversity in the equations of state of nuclear matter, the recently discovered I-Love-Q relations [Yagi and Yunes, Science 341, 365 (2013), 10.1126/science.1236462], which relate the moment of inertia, tidal Love number (deformability), and the spin-induced quadrupole moment of compact stars, hold for various kinds of realistic neutron stars and quark stars. While the physical origin of such universality is still a current issue, the observation that the I-Love-Q relations of incompressible stars can well approximate those of realistic compact stars hints at a new direction to approach the problem. In this paper, by establishing recursive post-Minkowskian expansion for the moment of inertia and the tidal deformability of incompressible stars, we analytically derive the I-Love relation for incompressible stars and show that the so-obtained formula can be used to accurately predict the behavior of realistic compact stars from the Newtonian limit to the maximum mass limit.

  9. A Fibrocontractive Mechanochemical Model of Dermal Wound Closure Incorporating Realistic Growth Factor Kinetics

    KAUST Repository

    Murphy, Kelly E.

    2012-01-13

    Fibroblasts and their activated phenotype, myofibroblasts, are the primary cell types involved in the contraction associated with dermal wound healing. Recent experimental evidence indicates that the transformation from fibroblasts to myofibroblasts involves two distinct processes: The cells are stimulated to change phenotype by the combined actions of transforming growth factor β (TGFβ) and mechanical tension. This observation indicates a need for a detailed exploration of the effect of the strong interactions between the mechanical changes and growth factors in dermal wound healing. We review the experimental findings in detail and develop a model of dermal wound healing that incorporates these phenomena. Our model includes the interactions between TGFβ and collagenase, providing a more biologically realistic form for the growth factor kinetics than those included in previous mechanochemical descriptions. A comparison is made between the model predictions and experimental data on human dermal wound healing and all the essential features are well matched. © 2012 Society for Mathematical Biology.

  10. Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

    Science.gov (United States)

    Baumgärtel, M.; Ghanem, K.; Kiani, A.; Koch, E.; Pavarini, E.; Sims, H.; Zhang, G.

    2017-07-01

    We discuss the efficient implementation of general impurity solvers for dynamical mean-field theory. We show that both Lanczos and quantum Monte Carlo in different flavors (Hirsch-Fye, continuous-time hybridization- and interaction-expansion) exhibit excellent scaling on massively parallel supercomputers. We apply these algorithms to simulate realistic model Hamiltonians including the full Coulomb vertex, crystal-field splitting, and spin-orbit interaction. We discuss how to remove the sign problem in the presence of non-diagonal crystal-field and hybridization matrices. We show how to extract the physically observable quantities from imaginary time data, in particular correlation functions and susceptibilities. Finally, we present benchmarks and applications for representative correlated systems.

  11. Robust control of decoherence in realistic one-qubit quantum gates

    International Nuclear Information System (INIS)

    Protopopescu, V; Perez, R; D'Helon, C; Schmulen, J

    2003-01-01

    We present an open-loop (bang-bang) scheme to control decoherence in a generic one-qubit quantum gate and implement it in a realistic simulation. The system is consistently described within the spin-boson model, with interactions accounting for both adiabatic and thermal decoherence. The external control is included from the beginning in the Hamiltonian as an independent interaction term. After tracing out the environment modes, reduced equations are obtained for the two-level system in which the effects of both decoherence and external control appear explicitly. The controls are determined exactly from the condition to eliminate decoherence, i.e. to restore unitarity. Numerical simulations show excellent performance and robustness of the proposed control scheme

  12. A Fibrocontractive Mechanochemical Model of Dermal Wound Closure Incorporating Realistic Growth Factor Kinetics

    KAUST Repository

    Murphy, Kelly E.; Hall, Cameron L.; Maini, Philip K.; McCue, Scott W.; McElwain, D. L. Sean

    2012-01-01

    Fibroblasts and their activated phenotype, myofibroblasts, are the primary cell types involved in the contraction associated with dermal wound healing. Recent experimental evidence indicates that the transformation from fibroblasts to myofibroblasts involves two distinct processes: The cells are stimulated to change phenotype by the combined actions of transforming growth factor β (TGFβ) and mechanical tension. This observation indicates a need for a detailed exploration of the effect of the strong interactions between the mechanical changes and growth factors in dermal wound healing. We review the experimental findings in detail and develop a model of dermal wound healing that incorporates these phenomena. Our model includes the interactions between TGFβ and collagenase, providing a more biologically realistic form for the growth factor kinetics than those included in previous mechanochemical descriptions. A comparison is made between the model predictions and experimental data on human dermal wound healing and all the essential features are well matched. © 2012 Society for Mathematical Biology.

  13. Abstract ID: 176 Geant4 implementation of inter-atomic interference effect in small-angle coherent X-ray scattering for materials of medical interest.

    Science.gov (United States)

    Paternò, Gianfranco; Cardarelli, Paolo; Contillo, Adriano; Gambaccini, Mauro; Taibi, Angelo

    2018-01-01

    Advanced applications of digital mammography such as dual-energy and tomosynthesis require multiple exposures and thus deliver higher dose compared to standard mammograms. A straightforward manner to reduce patient dose without affecting image quality would be removal of the anti-scatter grid, provided that the involved reconstruction algorithms are able to take the scatter figure into account [1]. Monte Carlo simulations are very well suited for the calculation of X-ray scatter distribution and can be used to integrate such information within the reconstruction software. Geant4 is an open source C++ particle tracking code widely used in several physical fields, including medical physics [2,3]. However, the coherent scattering cross section used by the standard Geant4 code does not take into account the influence of molecular interference. According to the independent atomic scattering approximation (the so-called free-atom model), coherent radiation is indistinguishable from primary radiation because its angular distribution is peaked in the forward direction. Since interference effects occur between x-rays scattered by neighbouring atoms in matter, it was shown experimentally that the scatter distribution is affected by the molecular structure of the target, even in amorphous materials. The most important consequence is that the coherent scatter distribution is not peaked in the forward direction, and the position of the maximum is strongly material-dependent [4]. In this contribution, we present the implementation of a method to take into account inter-atomic interference in small-angle coherent scattering in Geant4, including a dedicated data set of suitable molecular form factor values for several materials of clinical interest. Furthermore, we present scatter images of simple geometric phantoms in which the Rayleigh contribution is rigorously evaluated. Copyright © 2017.

  14. Intra- and inter-atomic optical transitions of Fe, Co, and Ni ferrocyanides studied using first-principles many-electron calculations

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Shinta, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp; Sawada, Yuki; Nakaya, Masato; Yoshino, Masahito; Nagasaki, Takanori; Onoe, Jun, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp [Department of Materials, Physics and Energy Engineering, Graduated School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Kameyama, Tatsuya; Torimoto, Tsukasa [Department of Crystalline Materials Science, Graduated School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Inaba, Yusuke; Takahashi, Hideharu; Takeshita, Kenji [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, 2-12-1-N1-16 O-okayama, Meguro-ku, Tokyo 152-8550 (Japan)

    2016-06-21

    We have investigated the electronic structures and optical properties of Fe, Co, and Ni ferrocyanide nanoparticles using first-principles relativistic many-electron calculations. The overall features of the theoretical absorption spectra for Fe, Ni, and Co ferrocyanides calculated using a first-principles many-electron method well reproduced the experimental one. The origins of the experimental absorption spectra were clarified by performing a configuration analysis based on the many-electron wave functions. For Fe ferrocyanide, the experimental absorption peaks originated from not only the charge-transfer transitions from Fe{sup 2+} to Fe{sup 3+} but also the 3d-3d intra-transitions of Fe{sup 3+} ions. In addition, the spin crossover transition of Fe{sup 3+} predicted by the many-electron calculations was about 0.24 eV. For Co ferrocyanide, the experimental absorption peaks were mainly attributed to the 3d-3d intra-transitions of Fe{sup 2+} ions. In contrast to the Fe and Co ferrocyanides, Ni ferrocyanide showed that the absorption peaks originated from the 3d-3d intra-transitions of Ni{sup 3+} ions in a low-energy region, while from both the 3d-3d intra-transitions of Fe{sup 2+} ions and the charge-transfer transitions from Fe{sup 2+} to Ni{sup 3+} in a high-energy region. These results were quite different from those of density-functional theory (DFT) calculations. The discrepancy between the results of DFT calculations and those of many-electron calculations suggested that the intra- and inter-atomic transitions of transition metal ions are significantly affected by the many-body effects of strongly correlated 3d electrons.

  15. Simplified realistic human head model for simulating Tumor Treating Fields (TTFields).

    Science.gov (United States)

    Wenger, Cornelia; Bomzon, Ze'ev; Salvador, Ricardo; Basser, Peter J; Miranda, Pedro C

    2016-08-01

    Tumor Treating Fields (TTFields) are alternating electric fields in the intermediate frequency range (100-300 kHz) of low-intensity (1-3 V/cm). TTFields are an anti-mitotic treatment against solid tumors, which are approved for Glioblastoma Multiforme (GBM) patients. These electric fields are induced non-invasively by transducer arrays placed directly on the patient's scalp. Cell culture experiments showed that treatment efficacy is dependent on the induced field intensity. In clinical practice, a software called NovoTalTM uses head measurements to estimate the optimal array placement to maximize the electric field delivery to the tumor. Computational studies predict an increase in the tumor's electric field strength when adapting transducer arrays to its location. Ideally, a personalized head model could be created for each patient, to calculate the electric field distribution for the specific situation. Thus, the optimal transducer layout could be inferred from field calculation rather than distance measurements. Nonetheless, creating realistic head models of patients is time-consuming and often needs user interaction, because automated image segmentation is prone to failure. This study presents a first approach to creating simplified head models consisting of convex hulls of the tissue layers. The model is able to account for anisotropic conductivity in the cortical tissues by using a tensor representation estimated from Diffusion Tensor Imaging. The induced electric field distribution is compared in the simplified and realistic head models. The average field intensities in the brain and tumor are generally slightly higher in the realistic head model, with a maximal ratio of 114% for a simplified model with reasonable layer thicknesses. Thus, the present pipeline is a fast and efficient means towards personalized head models with less complexity involved in characterizing tissue interfaces, while enabling accurate predictions of electric field distribution.

  16. Gauge coupling unification in realistic free-fermionic string models

    International Nuclear Information System (INIS)

    Dienes, K.R.; Faraggi, A.E.

    1995-01-01

    We discuss the unification of gauge couplings within the framework of a wide class of realistic free-fermionic string models which have appeared in the literature, including the flipped SU(5), SO(6)xSO(4), and various SU(3)xSU(2)xU(1) models. If the matter spectrum below the string scale is that of the Minimal Supersymmetric Standard Model (MSSM), then string unification is in disagreement with experiment. We therefore examine several effects that may modify the minimal string predictions. First, we develop a systematic procedure for evaluating the one-loop heavy string threshold corrections in free-fermionic string models, and we explicitly evaluate these corrections for each of the realistic models. We find that these string threshold corrections are small, and we provide general arguments explaining why such threshold corrections are suppressed in string theory. Thus heavy thresholds cannot resolve the disagreement with experiment. We also study the effect of non-standard hypercharge normalizations, light SUSY thresholds, and intermediate-scale gauge structure, and similarly conclude that these effects cannot resolve the disagreement with low-energy data. Finally, we examine the effects of additional color triplets and electroweak doublets beyond the MSSM. Although not required in ordinary grand unification scenarios, such states generically appear within the context of certain realistic free-fermionic string models. We show that if these states exist at the appropriate thresholds, then the gauge couplings will indeed unify at the string scale. Thus, within these string models, string unification can be in agreement with low-energy data. (orig.)

  17. Ultra-Reliable Communications in Failure-Prone Realistic Networks

    DEFF Research Database (Denmark)

    Gerardino, Guillermo Andrés Pocovi; Lauridsen, Mads; Alvarez, Beatriz Soret

    2016-01-01

    We investigate the potential of different diversity and interference management techniques to achieve the required downlink SINR outage probability for ultra-reliable communications. The evaluation is performed in a realistic network deployment based on site-specific data from a European capital....... Micro and macroscopic diversity techniques are proved to be important enablers of ultra-reliable communications. Particularly, it is shown how a 4x4 MIMO scheme with three orders of macroscopic diversity can achieve the required SINR outage performance. Smaller gains are obtained from interference...

  18. Capturing and reproducing realistic acoustic scenes for hearing research

    DEFF Research Database (Denmark)

    Marschall, Marton; Buchholz, Jörg

    Accurate spatial audio recordings are important for a range of applications, from the creation of realistic virtual sound environments to the evaluation of communication devices, such as hearing instruments and mobile phones. Spherical microphone arrays are particularly well-suited for capturing....... The properties of MOA microphone layouts and processing were investigated further by considering several order combinations. It was shown that the performance for horizontal vs. elevated sources can be adjusted by varying the order combination, but that a benefit of the higher horizontal orders can only be seen...

  19. Building Realistic Mobility Models for Mobile Ad Hoc Networks

    Directory of Open Access Journals (Sweden)

    Adrian Pullin

    2018-04-01

    Full Text Available A mobile ad hoc network (MANET is a self-configuring wireless network in which each node could act as a router, as well as a data source or sink. Its application areas include battlefields and vehicular and disaster areas. Many techniques applied to infrastructure-based networks are less effective in MANETs, with routing being a particular challenge. This paper presents a rigorous study into simulation techniques for evaluating routing solutions for MANETs with the aim of producing more realistic simulation models and thereby, more accurate protocol evaluations. MANET simulations require models that reflect the world in which the MANET is to operate. Much of the published research uses movement models, such as the random waypoint (RWP model, with arbitrary world sizes and node counts. This paper presents a technique for developing more realistic simulation models to test and evaluate MANET protocols. The technique is animation, which is applied to a realistic scenario to produce a model that accurately reflects the size and shape of the world, node count, movement patterns, and time period over which the MANET may operate. The animation technique has been used to develop a battlefield model based on established military tactics. Trace data has been used to build a model of maritime movements in the Irish Sea. Similar world models have been built using the random waypoint movement model for comparison. All models have been built using the ns-2 simulator. These models have been used to compare the performance of three routing protocols: dynamic source routing (DSR, destination-sequenced distance-vector routing (DSDV, and ad hoc n-demand distance vector routing (AODV. The findings reveal that protocol performance is dependent on the model used. In particular, it is shown that RWP models do not reflect the performance of these protocols under realistic circumstances, and protocol selection is subject to the scenario to which it is applied. To

  20. Scaling up complex interventions: insights from a realist synthesis.

    Science.gov (United States)

    Willis, Cameron D; Riley, Barbara L; Stockton, Lisa; Abramowicz, Aneta; Zummach, Dana; Wong, Geoff; Robinson, Kerry L; Best, Allan

    2016-12-19

    Preventing chronic diseases, such as cancer, cardiovascular disease and diabetes, requires complex interventions, involving multi-component and multi-level efforts that are tailored to the contexts in which they are delivered. Despite an increasing number of complex interventions in public health, many fail to be 'scaled up'. This study aimed to increase understanding of how and under what conditions complex public health interventions may be scaled up to benefit more people and populations.A realist synthesis was conducted and discussed at an in-person workshop involving practitioners responsible for scaling up activities. Realist approaches view causality through the linkages between changes in contexts (C) that activate mechanisms (M), leading to specific outcomes (O) (CMO configurations). To focus this review, three cases of complex interventions that had been successfully scaled up were included: Vibrant Communities, Youth Build USA and Pathways to Education. A search strategy of published and grey literature related to each case was developed, involving searches of relevant databases and nominations from experts. Data extracted from included documents were classified according to CMO configurations within strategic themes. Findings were compared and contrasted with guidance from diffusion theory, and interpreted with knowledge users to identify practical implications and potential directions for future research.Four core mechanisms were identified, namely awareness, commitment, confidence and trust. These mechanisms were activated within two broad scaling up strategies, those of renewing and regenerating, and documenting success. Within each strategy, specific actions to change contexts included building partnerships, conducting evaluations, engaging political support and adapting funding models. These modified contexts triggered the identified mechanisms, leading to a range of scaling up outcomes, such as commitment of new communities, changes in relevant

  1. Dynamic apeerture in damping rings with realistic wigglers

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Yunhai; /SLAC

    2005-05-04

    The International Linear Collider based on superconducting RF cavities requires the damping rings to have extremely small equilibrium emittance, huge circumference, fast damping time, and large acceptance. To achieve all of these requirements is a very challenging task. In this paper, we will present a systematic approach to designing the damping rings using simple cells and non-interlaced sextupoles. The designs of the damping rings with various circumferences and shapes, including dogbone, are presented. To model realistic wigglers, we have developed a new hybrid symplectic integrator for faster and accurate evaluation of dynamic aperture of the lattices.

  2. Dynamic Enhanced Inter-Cell Interference Coordination for Realistic Networks

    DEFF Research Database (Denmark)

    Pedersen, Klaus I.; Alvarez, Beatriz Soret; Barcos, Sonia

    2016-01-01

    Enhanced Inter-Cell Interference Coordination (eICIC) is a key ingredient to boost the performance of co-channel Heterogeneous Networks (HetNets). eICIC encompasses two main techniques: Almost Blank Subframes (ABS), during which the macro cell remains silent to reduce the interference, and biased...... and an opportunistic approach exploiting the varying cell conditions. Moreover, an autonomous fast distributed muting algorithm is presented, which is simple, robust, and well suited for irregular network deployments. Performance results for realistic network deployments show that the traditional semi-static e...

  3. Turbulence studies in tokamak boundary plasmas with realistic divertor geometry

    International Nuclear Information System (INIS)

    Xu, X.Q.; Cohen, R.H.; Porter, G.D.; Rognlien, T.; Ryutov, D.D.; Myra, J.R.; D'Ippolito, D.A.; Moyer, R.; Groebner, R.J.

    2001-01-01

    Results are presented from the 3D nonlocal electromagnetic turbulence code BOUT and the linearized shooting code BAL for studies of turbulence in tokamak boundary plasmas and its relationship to the L-H transition, in a realistic divertor plasma geometry. The key results include: (1) the identification of the dominant resistive X-point mode in divertor geometry and (2) turbulence suppression in the L-H transition by shear in the ExB drift speed, ion diamagnetism and nite polarization. Based on the simulation results, a parameterization of the transport is given that includes the dependence on the relevant physical parameters. (author)

  4. Turbulence studies in tokamak boundary plasmas with realistic divertor geometry

    International Nuclear Information System (INIS)

    Xu, X.Q.; Cohen, R.H.; Por, G.D. ter; Rognlien, T.D.; Ryutov, D.D.; Myra, J.R.; D'Ippolito, D.A.; Moyer, R.; Groebner, R.J.

    1999-01-01

    Results are presented from the 3D nonlocal electromagnetic turbulence code BOUT and the linearized shooting code BAL for studies of turbulence in tokamak boundary plasmas and its relationship to the L-H transition, in a realistic divertor plasma geometry. The key results include: (1) the identification of the dominant resistive X-point mode in divertor geometry and (2) turbulence suppression in the L-H transition by shear in the E x B drift speed, ion diamagnetism and finite polarization. Based on the simulation results, a parameterization of the transport is given that includes the dependence on the relevant physical parameters. (author)

  5. On Small Antenna Measurements in a Realistic MIMO Scenario

    DEFF Research Database (Denmark)

    Yanakiev, Boyan; Nielsen, Jesper Ødum; Pedersen, Gert Frølund

    2010-01-01

    . The problem using coaxial cable is explained and a solution suitable for long distance channel sounding is presented. A large scale measurement campaign is then described. Special attention is paid to bring the measurement setup as close as possible to a realistic LTE network of the future, with attention......This paper deals with the challenges related to evaluating the performance of multiple, small terminal antennas within a natural MIMO environment. The focus is on the antenna measurement accuracy. First a method is presented for measuring small phone mock-ups, with the use of optical fibers...

  6. A continuous family of realistic SUSY SU(5) GUTs

    Energy Technology Data Exchange (ETDEWEB)

    Bajc, Borut, E-mail: borut.bajc@ijs.si [J. Stefan Institute, Jamova cesta 39, 1000, Ljubljana (Slovenia)

    2016-06-21

    It is shown that the minimal renormalizable supersymmetric SU(5) is still realistic providing the supersymmetric scale is at least few tens of TeV or large R-parity violating terms are considered. In the first case the vacuum is metastable, and different consistency constraints can give a bounded allowed region in the tan β − m{sub susy} plane. In the second case the mass eigenstate electron (down quark) is a linear combination of the original electron (down quark) and Higgsino (heavy colour triplet), and the mass ratio of bino and wino is determined. Both limits lead to light gravitino dark matter.

  7. Considering dynamic friction and proper structural response in hydraulic load cases for realistic piping design

    International Nuclear Information System (INIS)

    Diesselhorst, T.; Diatschuk, P.; Schnellhammer, W.

    2005-01-01

    Concerning the design for hydraulic load cases there is always a sequence of fluid- and structural dynamic calculations, where the structural vibrations are induced by the time depending fluid forces. Therefore, in order to prevent excessive structural reactions, it is most important to avoid conservative fluid dynamic results. That refers to the maximum value of the pressure surge as well as to the damping of pressure oscillations. This is especially relevant in case of fluid-structure resonance. To meet these requirements the effect of dynamic wall friction was implemented in our fluid dynamic code. Thus, a more realistic damping behavior of the fluid forces was achieved. In the structural analysis code the damping of the pipe structure could be more accurate adapted to the real conditions. Additionally the local damping by viscous damper was included in the model. At supports now non-linear behavior like clearances can be simulated. The possibility of coupled calculation was installed to consider the effect of fluid structure interaction. The programmed effects are validated against measurement results from power plant systems. The favorable effects of the program improvements are demonstrated by typical examples. These included the realistic damping of pressure oscillations as well as a case of fluid-structure resonance. Additionally the effectiveness of the improved models of piping supports is demonstrated. (authors)

  8. Semiclassical corrections to the interaction energy of a hard-sphere Boltzmann gas

    Energy Technology Data Exchange (ETDEWEB)

    Bhaduri, R K [Department of Physics and Astronomy, McMaster University, Hamilton, L8S 4M1 (Canada); Dijk, W van [Department of Physics and Astronomy, McMaster University, Hamilton, L8S 4M1 (Canada); Srivastava, M K [Institute Instrumentation Center, IIT, Roorkee 247 667 (India)

    2006-11-01

    Quantum effects in statistical mechanics are important when the thermal wavelength is of the order of, or greater than, the mean interatomic spacing. This is examined in depth taking the example of a hard-sphere Boltzmann gas. Using the virial expansion for the equation of state, it is shown that the interaction energy of a classical hard-sphere gas is exactly zero. When the (second) virial coefficient of such a gas is obtained quantum mechanically, however, the quantum contribution to the interaction energy is shown to be substantial. The importance of the semiclassical corrections to the interaction energy shows up dramatically in such a system.

  9. Semiclassical corrections to the interaction energy of a hard-sphere Boltzmann gas

    International Nuclear Information System (INIS)

    Bhaduri, R K; Dijk, W van; Srivastava, M K

    2006-01-01

    Quantum effects in statistical mechanics are important when the thermal wavelength is of the order of, or greater than, the mean interatomic spacing. This is examined in depth taking the example of a hard-sphere Boltzmann gas. Using the virial expansion for the equation of state, it is shown that the interaction energy of a classical hard-sphere gas is exactly zero. When the (second) virial coefficient of such a gas is obtained quantum mechanically, however, the quantum contribution to the interaction energy is shown to be substantial. The importance of the semiclassical corrections to the interaction energy shows up dramatically in such a system

  10. [A new age of mass casuality education? : The InSitu project: realistic training in virtual reality environments].

    Science.gov (United States)

    Lorenz, D; Armbruster, W; Vogelgesang, C; Hoffmann, H; Pattar, A; Schmidt, D; Volk, T; Kubulus, D

    2016-09-01

    Chief emergency physicians are regarded as an important element in the care of the injured and sick following mass casualty accidents. Their education is very theoretical; practical content in contrast often falls short. Limitations are usually the very high costs of realistic (large-scale) exercises, poor reproducibility of the scenarios, and poor corresponding results. To substantially improve the educational level because of the complexity of mass casualty accidents, modified training concepts are required that teach the not only the theoretical but above all the practical skills considerably more intensively than at present. Modern training concepts should make it possible for the learner to realistically simulate decision processes. This article examines how interactive virtual environments are applicable for the education of emergency personnel and how they could be designed. Virtual simulation and training environments offer the possibility of simulating complex situations in an adequately realistic manner. The so-called virtual reality (VR) used in this context is an interface technology that enables free interaction in addition to a stereoscopic and spatial representation of virtual large-scale emergencies in a virtual environment. Variables in scenarios such as the weather, the number wounded, and the availability of resources, can be changed at any time. The trainees are able to practice the procedures in many virtual accident scenes and act them out repeatedly, thereby testing the different variants. With the aid of the "InSitu" project, it is possible to train in a virtual reality with realistically reproduced accident situations. These integrated, interactive training environments can depict very complex situations on a scale of 1:1. Because of the highly developed interactivity, the trainees can feel as if they are a direct part of the accident scene and therefore identify much more with the virtual world than is possible with desktop systems

  11. Development of realistic thermal hydraulic system analysis code

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Won Jae; Chung, B. D; Kim, K. D. [and others

    2002-05-01

    The realistic safety analysis system is essential for nuclear safety research, advanced reactor development, safety analysis in nuclear industry and 'in-house' plant design capability development. In this project, we have developed a best-estimate multi-dimensional thermal-hydraulic system code, MARS, which is based on the integrated version of the RELAP5 and COBRA-TF codes. To improve the realistic analysis capability, we have improved the models for multi-dimensional two-phase flow phenomena and for advanced two-phase flow modeling. In addition, the GUI (Graphic User Interface) feature were developed to enhance the user's convenience. To develop the coupled analysis capability, the MARS code were linked with the three-dimensional reactor kinetics code (MASTER), the core thermal analysis code (COBRA-III/CP), and the best-estimate containment analysis code (CONTEMPT), resulting in MARS/MASTER/COBRA/CONTEMPT. Currently, the MARS code system has been distributed to 18 domestic organizations, including research, industrial, regulatory organizations and universities. The MARS has been being widely used for the safety research of existing PWRs, advanced PWR, CANDU and research reactor, the pre-test analysis of TH experiments, and others.

  12. Development of realistic thermal hydraulic system analysis code

    International Nuclear Information System (INIS)

    Lee, Won Jae; Chung, B. D; Kim, K. D.

    2002-05-01

    The realistic safety analysis system is essential for nuclear safety research, advanced reactor development, safety analysis in nuclear industry and 'in-house' plant design capability development. In this project, we have developed a best-estimate multi-dimensional thermal-hydraulic system code, MARS, which is based on the integrated version of the RELAP5 and COBRA-TF codes. To improve the realistic analysis capability, we have improved the models for multi-dimensional two-phase flow phenomena and for advanced two-phase flow modeling. In addition, the GUI (Graphic User Interface) feature were developed to enhance the user's convenience. To develop the coupled analysis capability, the MARS code were linked with the three-dimensional reactor kinetics code (MASTER), the core thermal analysis code (COBRA-III/CP), and the best-estimate containment analysis code (CONTEMPT), resulting in MARS/MASTER/COBRA/CONTEMPT. Currently, the MARS code system has been distributed to 18 domestic organizations, including research, industrial, regulatory organizations and universities. The MARS has been being widely used for the safety research of existing PWRs, advanced PWR, CANDU and research reactor, the pre-test analysis of TH experiments, and others

  13. Music therapy for palliative care: A realist review.

    Science.gov (United States)

    McConnell, Tracey; Porter, Sam

    2017-08-01

    Music therapy has experienced a rising demand as an adjunct therapy for symptom management among palliative care patients. We conducted a realist review of the literature to develop a greater understanding of how music therapy might benefit palliative care patients and the contextual mechanisms that promote or inhibit its successful implementation. We searched electronic databases (CINAHL, Embase, Medline, and PsychINFO) for literature containing information on music therapy for palliative care. In keeping with the realist approach, we examined all relevant literature to develop theories that could explain how music therapy works. A total of 51 articles were included in the review. Music therapy was found to have a therapeutic effect on the physical, psychological, emotional, and spiritual suffering of palliative care patients. We also identified program mechanisms that help explain music therapy's therapeutic effects, along with facilitating contexts for implementation. Music therapy may be an effective nonpharmacological approach to managing distressing symptoms in palliative care patients. The findings also suggest that group music therapy may be a cost-efficient and effective way to support staff caring for palliative care patients. We encourage others to continue developing the evidence base in order to expand our understanding of how music therapy works, with the aim of informing and improving the provision of music therapy for palliative care patients.

  14. Report of the workshop on realistic SSC lattices

    International Nuclear Information System (INIS)

    1985-10-01

    A workshop was held at the SSC Central Design Group from May 29 to June 4, 1985, on topics relating to the lattice of the SSC. The workshop marked a shift of emphasis from the investigation of simplified test lattices to the development of a realistic lattice suitable for the conceptual design report. The first day of the workshop was taken up by reviews of accelerator system requirements, of the reference design solutions for these requirements, of lattice work following the reference design, and of plans for the workshop. The work was divided among four working groups. The first, chaired by David Douglas, concerned the arcs of regular cells. The second group, which studied the utility insertions, was chaired by Beat Leemann. The third group, under David E. Johnson, concerned itself with the experimental insertions, dispersion suppressors, and phase trombones. The fourth group, responsible for global lattice considerations and the design of a new realistic lattice example, was led by Ernest Courant. The papers resulting from this workshop are roughly divided into three sets: those relating to specific lattice components, to complete lattices, and to other topics. Among the salient accomplishments of the workshop were additions to and optimization of lattice components, especially those relating to lattices using 1-in-1 magnets, either horizontally or vertically separated, and the design of complete lattice examples. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database

  15. Realistic thermodynamic and statistical-mechanical measures for neural synchronization.

    Science.gov (United States)

    Kim, Sang-Yoon; Lim, Woochang

    2014-04-15

    Synchronized brain rhythms, associated with diverse cognitive functions, have been observed in electrical recordings of brain activity. Neural synchronization may be well described by using the population-averaged global potential VG in computational neuroscience. The time-averaged fluctuation of VG plays the role of a "thermodynamic" order parameter O used for describing the synchrony-asynchrony transition in neural systems. Population spike synchronization may be well visualized in the raster plot of neural spikes. The degree of neural synchronization seen in the raster plot is well measured in terms of a "statistical-mechanical" spike-based measure Ms introduced by considering the occupation and the pacing patterns of spikes. The global potential VG is also used to give a reference global cycle for the calculation of Ms. Hence, VG becomes an important collective quantity because it is associated with calculation of both O and Ms. However, it is practically difficult to directly get VG in real experiments. To overcome this difficulty, instead of VG, we employ the instantaneous population spike rate (IPSR) which can be obtained in experiments, and develop realistic thermodynamic and statistical-mechanical measures, based on IPSR, to make practical characterization of the neural synchronization in both computational and experimental neuroscience. Particularly, more accurate characterization of weak sparse spike synchronization can be achieved in terms of realistic statistical-mechanical IPSR-based measure, in comparison with the conventional measure based on VG. Copyright © 2014. Published by Elsevier B.V.

  16. Evaluating impact of clinical guidelines using a realist evaluation framework.

    Science.gov (United States)

    Reddy, Sandeep; Wakerman, John; Westhorp, Gill; Herring, Sally

    2015-12-01

    The Remote Primary Health Care Manuals (RPHCM) project team manages the development and publication of clinical protocols and procedures for primary care clinicians practicing in remote Australia. The Central Australian Rural Practitioners Association Standard Treatment Manual, the flagship manual of the RPHCM suite, has been evaluated for accessibility and acceptability in remote clinics three times in its 20-year history. These evaluations did not consider a theory-based framework or a programme theory, resulting in some limitations with the evaluation findings. With the RPHCM having an aim of enabling evidence-based practice in remote clinics and anecdotally reported to do so, testing this empirically for the full suite is vital for both stakeholders and future editions of the RPHCM. The project team utilized a realist evaluation framework to assess how, why and for what the RPHCM were being used by remote practitioners. A theory regarding the circumstances in which the manuals have and have not enabled evidence-based practice in the remote clinical context was tested. The project assessed this theory for all the manuals in the RPHCM suite, across government and aboriginal community-controlled clinics, in three regions of Australia. Implementing a realist evaluation framework to generate robust findings in this context has required innovation in the evaluation design and adaptation by researchers. This article captures the RPHCM team's experience in designing this evaluation. © 2015 John Wiley & Sons, Ltd.

  17. Ultra-realistic 3-D imaging based on colour holography

    International Nuclear Information System (INIS)

    Bjelkhagen, H I

    2013-01-01

    A review of recent progress in colour holography is provided with new applications. Colour holography recording techniques in silver-halide emulsions are discussed. Both analogue, mainly Denisyuk colour holograms, and digitally-printed colour holograms are described and their recent improvements. An alternative to silver-halide materials are the panchromatic photopolymer materials such as the DuPont and Bayer photopolymers which are covered. The light sources used to illuminate the recorded holograms are very important to obtain ultra-realistic 3-D images. In particular the new light sources based on RGB LEDs are described. They show improved image quality over today's commonly used halogen lights. Recent work in colour holography by holographers and companies in different countries around the world are included. To record and display ultra-realistic 3-D images with perfect colour rendering are highly dependent on the correct recording technique using the optimal recording laser wavelengths, the availability of improved panchromatic recording materials and combined with new display light sources.

  18. Electron percolation in realistic models of carbon nanotube networks

    International Nuclear Information System (INIS)

    Simoneau, Louis-Philippe; Villeneuve, Jérémie; Rochefort, Alain

    2015-01-01

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models

  19. Development of vortex model with realistic axial velocity distribution

    International Nuclear Information System (INIS)

    Ito, Kei; Ezure, Toshiki; Ohshima, Hiroyuki

    2014-01-01

    A vortex is considered as one of significant phenomena which may cause gas entrainment (GE) and/or vortex cavitation in sodium-cooled fast reactors. In our past studies, the vortex is assumed to be approximated by the well-known Burgers vortex model. However, the Burgers vortex model has a simple but unreal assumption that the axial velocity component is horizontally constant, while in real the free surface vortex has the axial velocity distribution which shows large gradient in radial direction near the vortex center. In this study, a new vortex model with realistic axial velocity distribution is proposed. This model is derived from the steady axisymmetric Navier-Stokes equation as well as the Burgers vortex model, but the realistic axial velocity distribution in radial direction is considered, which is defined to be zero at the vortex center and to approach asymptotically to zero at infinity. As the verification, the new vortex model is applied to the evaluation of a simple vortex experiment, and shows good agreements with the experimental data in terms of the circumferential velocity distribution and the free surface shape. In addition, it is confirmed that the Burgers vortex model fails to calculate accurate velocity distribution with the assumption of uniform axial velocity. However, the calculation accuracy of the Burgers vortex model can be enhanced close to that of the new vortex model in consideration of the effective axial velocity which is calculated as the average value only in the vicinity of the vortex center. (author)

  20. Neural Correlates of Realistic and Unrealistic Auditory Space Perception

    Directory of Open Access Journals (Sweden)

    Akiko Callan

    2011-10-01

    Full Text Available Binaural recordings can simulate externalized auditory space perception over headphones. However, if the orientation of the recorder's head and the orientation of the listener's head are incongruent, the simulated auditory space is not realistic. For example, if a person lying flat on a bed listens to an environmental sound that was recorded by microphones inserted in ears of a person who was in an upright position, the sound simulates an auditory space rotated 90 degrees to the real-world horizontal axis. Our question is whether brain activation patterns are different between the unrealistic auditory space (ie, the orientation of the listener's head and the orientation of the recorder's head are incongruent and the realistic auditory space (ie, the orientations are congruent. River sounds that were binaurally recorded either in a supine position or in an upright body position were served as auditory stimuli. During fMRI experiments, participants listen to the stimuli and pressed one of two buttons indicating the direction of the water flow (horizontal/vertical. Behavioral results indicated that participants could not differentiate between the congruent and the incongruent conditions. However, neuroimaging results showed that the congruent condition activated the planum temporale significantly more than the incongruent condition.

  1. Electron percolation in realistic models of carbon nanotube networks

    Science.gov (United States)

    Simoneau, Louis-Philippe; Villeneuve, Jérémie; Rochefort, Alain

    2015-09-01

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.

  2. An inexpensive yet realistic model for teaching vasectomy

    Directory of Open Access Journals (Sweden)

    Taylor M. Coe

    2015-04-01

    Full Text Available Purpose Teaching the no-scalpel vasectomy is important, since vasectomy is a safe, simple, and cost-effective method of contraception. This minimally invasive vasectomy technique involves delivering the vas through the skin with specialized tools. This technique is associated with fewer complications than the traditional incisional vasectomy (1. One of the most challenging steps is the delivery of the vas through a small puncture in the scrotal skin, and there is a need for a realistic and inexpensive scrotal model for beginning learners to practice this step. Materials and Methods After careful observation using several scrotal models while teaching residents and senior trainees, we developed a simplified scrotal model that uses only three components–bicycle inner tube, latex tubing, and a Penrose drain. Results This model is remarkably realistic and allows learners to practice a challenging step in the no-scalpel vasectomy. The low cost and simple construction of the model allows wide dissemination of training in this important technique. Conclusions We propose a simple, inexpensive model that will enable learners to master the hand movements involved in delivering the vas through the skin while mitigating the risks of learning on patients.

  3. Toward realistic pursuit-evasion using a roadmap-based approach

    KAUST Repository

    Rodriguez, Samuel; Denny, Jory; Burgos, Juan; Mahadevan, Aditya; Manavi, Kasra; Murray, Luke; Kodochygov, Anton; Zourntos, Takis; Amato, Nancy M.

    2011-01-01

    be applied to more realistic scenarios than are typically studied in most previous work, including agents moving in 3D environments such as terrains, multi-story buildings, and dynamic environments. We also support more realistic three-dimensional visibility

  4. Calculation of parameters of the interaction potential between excited alkali atoms and mercury atoms: The Cs*, Pr*-Hg interaction

    International Nuclear Information System (INIS)

    Glushkov, A.V.

    1994-01-01

    Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab

  5. Materials specific work at Forschungszentrum Karlsruhe and in cooperation with the industrial partners ALKEM and Interatom for the development of nuclear oxide fuels for fission reactors

    International Nuclear Information System (INIS)

    Kleykamp, H.; Muehling, G.

    2005-09-01

    The fabrication of uranium-plutonium oxide fuel started in Forschungszentrum Karlsruhe and at ALKEM company to begin for the criticality experiments in the SNEAK reactor and subsequently for stationary fuel pin irradiations in the FR2, BR2, DFR, Rapsodie, Phenix and KNK II reactors. The production methods comprised first the mechanical blending of UO2 and PuO2 followed by direct pressing and sintering of the pellets, later the advanced methods such as optimized comilling and ammonium uranyl plutonyl coprecititation. The fabrication of pellets was described in the main, further the alternative fuel pin manufacturing processes by vibrational compaction and hot-impact densification were discussed. The first capsule and pin irradiations in the FR2 and BR2 reactors contributed to the assessment of the maximum operation parameters within the fuel pin development such as linear heat rating, cladding temperature and burnup. Subsequently, small-bundle and largebundle irradiations were made in fast reactors in cooperation with Interatom company in order to verify the specifications for the commercial fast reactor SNR 300. Milestones were the maximum burnup of 175 GWd/t metal, corresponding 18.6 % of the heavy atoms, obtained in one of the KNK II fuel pin assemblies, and the displacement rates in the cladding materials of 140 dpa NRT attained in the Phenix reactor. Higher implications gained later the stationary irradiations of defected mixed-oxide pins, the mild fuel pin transient operations, the local blockage experiments and the severe hypothetic accidents in the respective Siloe, HFR, BR2 and CABRI reactors. These experiments were made solely in international partnership. Further activities were the chemical analyses of solid residues and coprecipitations of irradiated mixed-oxide fuels in the head-end of the reprocessing. All these actions were coordinated in the then fast breeder project. Furthermore, irradiated fuels and fuel pins of other reactor types were

  6. Predicting perceptual quality of images in realistic scenario using deep filter banks

    Science.gov (United States)

    Zhang, Weixia; Yan, Jia; Hu, Shiyong; Ma, Yang; Deng, Dexiang

    2018-03-01

    Classical image perceptual quality assessment models usually resort to natural scene statistic methods, which are based on an assumption that certain reliable statistical regularities hold on undistorted images and will be corrupted by introduced distortions. However, these models usually fail to accurately predict degradation severity of images in realistic scenarios since complex, multiple, and interactive authentic distortions usually appear on them. We propose a quality prediction model based on convolutional neural network. Quality-aware features extracted from filter banks of multiple convolutional layers are aggregated into the image representation. Furthermore, an easy-to-implement and effective feature selection strategy is used to further refine the image representation and finally a linear support vector regression model is trained to map image representation into images' subjective perceptual quality scores. The experimental results on benchmark databases present the effectiveness and generalizability of the proposed model.

  7. Fault-Tolerant Robot Programming through Simulation with Realistic Sensor Models

    Directory of Open Access Journals (Sweden)

    Axel Waggershauser

    2008-11-01

    Full Text Available We introduce a simulation system for mobile robots that allows a realistic interaction of multiple robots in a common environment. The simulated robots are closely modeled after robots from the EyeBot family and have an identical application programmer interface. The simulation supports driving commands at two levels of abstraction as well as numerous sensors such as shaft encoders, infrared distance sensors, and compass. Simulation of on-board digital cameras via synthetic images allows the use of image processing routines for robot control within the simulation. Specific error models for actuators, distance sensors, camera sensor, and wireless communication have been implemented. Progressively increasing error levels for an application program allows for testing and improving its robustness and fault-tolerance.

  8. Radioactive waste management in Brazil: a realistic view

    International Nuclear Information System (INIS)

    Heilbron Filho, Paulo Fernando Lavalle; Perez Guerrero, Jesus Salvador; Xavier, Ana Maria

    2014-01-01

    The objective of this article is to present a realistic view of the main issues related to the management of radioactive waste in Brazil as well as a comprehensive picture of the regulatory waste management status in the country and internationally. Technical aspects that must be considered to ensure a safe construction of near surface disposal facilities for radioactive waste of low and medium levels of radiation are addressed. Different types of deposits, the basic regulatory issues involving the licensing of these facilities, the development of a financial compensation model for the Brazilian Municipalities where deposits are to be placed, the importance of the participation of the scientific community and society in the process of radioactive waste site selection and disposal, guidance for the application of the basic requirements of safety and radiation protection, the general safety aspects involved and the current actions for the disposal of radioactive waste in Brazil are highlighted. (author)

  9. Finite Time Blowup in a Realistic Food-Chain Model

    KAUST Repository

    Parshad, Rana; Ait Abderrahmane, Hamid; Upadhyay, Ranjit Kumar; Kumari, Nitu

    2013-01-01

    We investigate a realistic three-species food-chain model, with generalist top predator. The model based on a modified version of the Leslie-Gower scheme incorporates mutual interference in all the three populations and generalizes several other known models in the ecological literature. We show that the model exhibits finite time blowup in certain parameter range and for large enough initial data. This result implies that finite time blowup is possible in a large class of such three-species food-chain models. We propose a modification to the model and prove that the modified model has globally existing classical solutions, as well as a global attractor. We reconstruct the attractor using nonlinear time series analysis and show that it pssesses rich dynamics, including chaos in certain parameter regime, whilst avoiding blowup in any parameter regime. We also provide estimates on its fractal dimension as well as provide numerical simulations to visualise the spatiotemporal chaos.

  10. A Local Realistic Reconciliation of the EPR Paradox

    Science.gov (United States)

    Sanctuary, Bryan

    2014-03-01

    The exact violation of Bell's Inequalities is obtained with a local realistic model for spin. The model treats one particle that comprises a quantum ensemble and simulates the EPR data one coincidence at a time as a product state. Such a spin is represented by operators σx , iσy ,σz in its body frame rather than the usual set of σX ,σY ,σZ in the laboratory frame. This model, assumed valid in the absence of a measuring probe, contains both quantum polarizations and coherences. Each carries half the EPR correlation, but only half can be measured using coincidence techniques. The model further predicts the filter angles that maximize the spin correlation in EPR experiments.

  11. How to estimate realistic energy savings in Energy Performance Certificates

    DEFF Research Database (Denmark)

    Wittchen, Kim Bjarne; Altmann, Nagmeh; Berecová, Monika

    Given the fact that most MS use fixed or other kinds of default values as boundary condition input for energy performance calculations, it is not surprising that the calculated energy performance differs from the measured energy consumption. As a consequence, the calculated energy savings due...... stationary calculation tools using monthly average values. The optimum solution for energy performance certificates and calculating realistic energy savings is to have two calculations. One calculation, using default values to calculate the label itself, and one with actual input parameters for calculating...... energy performance before and after implementing energy saving measures. Actual values though, may be difficult to identify, so there is a need to make adaptations to reality easy. Even if actual values are available, there are still issues that cause calculated energy savings to differ from the obtained...

  12. From Minimal to Realistic Supersymmetric SU(5) Grand Unification

    CERN Document Server

    Altarelli, Guido; Masina, I; Altarelli, Guido; Feruglio, Ferruccio; Masina, Isabella

    2000-01-01

    We construct and discuss a "realistic" example of SUSY SU(5) GUT model, with an additional U(1) flavour symmetry, that is not plagued by the need of large fine tunings, like those associated with doublet-triplet splitting in the minimal model, and that leads to an acceptable phenomenology. This includes coupling unification with a value of alpha_s(m_Z) in much better agreement with the data than in the minimal version, an acceptable hierarchical pattern for fermion masses and mixing angles, also including neutrino masses and mixings, and a proton decay rate compatible with present limits (but the discovery of proton decay should be within reach of the next generation of experiments). In the neutrino sector the preferred solution is one with nearly maximal mixing both for atmospheric and solar neutrinos.

  13. Magnetic exchange at realistic CoO/Ni interfaces

    KAUST Repository

    Grytsiuk, Sergii

    2012-07-30

    We study the CoO/Ni interface by first principles calculations. Because the lattice mismatch is large, a realistic description requires a huge supercell. We investigate two interface configurations: in interface 1 the coupling between the Ni and Co atoms is mediated by O, whereas in interface 2 the Ni and Co atoms are in direct contact. We find that the magnetization (including the orbital moment) in interface 1 has a similar value as in bulk Ni but opposite sign, while in interface 2 it grows by 164%. The obtained magnetic moments can be explained by the local atomic environments. In addition, we find effects of charge transfer between the interface atoms. The Co 3d local density of states of interface 2 exhibits surprisingly small deviations from the corresponding bulk result, although the first coordination sphere is no longer octahedral. © Springer-Verlag 2012.

  14. Breaking with fun, educational and realistic learning games

    DEFF Research Database (Denmark)

    Duus Henriksen, Thomas

    2009-01-01

    are commonly conceived as means for staging learning processes, and that thinking learning games so has an inhibiting effect in regard to creating learning processes. The paper draws upon a qualitative study of participants' experiences with ‘the EIS Simulation', which is a computer-based learning game......This paper addresses the game conceptions and values that learning games inherit from regular gaming, as well as how they affect the use and development of learning games. Its key points concern the issues of thinking learning games as fun, educative and realistic, which is how learning games...... for teaching change management and change implementation. The EIS is played in groups, who share the game on a computer, and played by making change decisions in order to implement an IT system in an organisation. In this study, alternative participatory incentives, means for creating learning processes...

  15. Generating realistic environments for cyber operations development, testing, and training

    Science.gov (United States)

    Berk, Vincent H.; Gregorio-de Souza, Ian; Murphy, John P.

    2012-06-01

    Training eective cyber operatives requires realistic network environments that incorporate the structural and social complexities representative of the real world. Network trac generators facilitate repeatable experiments for the development, training and testing of cyber operations. However, current network trac generators, ranging from simple load testers to complex frameworks, fail to capture the realism inherent in actual environments. In order to improve the realism of network trac generated by these systems, it is necessary to quantitatively measure the level of realism in generated trac with respect to the environment being mimicked. We categorize realism measures into statistical, content, and behavioral measurements, and propose various metrics that can be applied at each level to indicate how eectively the generated trac mimics the real world.

  16. Hydrostatic Equilibria of Rotating Stars with Realistic Equation of State

    Science.gov (United States)

    Yasutake, Nobutoshi; Fujisawa, Kotaro; Okawa, Hirotada; Yamada, Shoichi

    Stars rotate generally, but it is a non-trivial issue to obtain hydrostatic equilibria for rapidly rotating stars theoretically, especially for baroclinic cases, in which the pressure depends not only on the density, but also on the temperature and compositions. It is clear that the stellar structures with realistic equation of state are the baroclinic cases, but there are not so many studies for such equilibria. In this study, we propose two methods to obtain hydrostatic equilibria considering rotation and baroclinicity, namely the weak-solution method and the strong-solution method. The former method is based on the variational principle, which is also applied to the calculation of the inhomogeneous phases, known as the pasta structures, in crust of neutron stars. We found this method might break the balance equation locally, then introduce the strong-solution method. Note that our method is formulated in the mass coordinate, and it is hence appropriated for the stellar evolution calculations.

  17. Using Concrete and Realistic Data in Evaluating Initial Visualization Designs

    DEFF Research Database (Denmark)

    Knudsen, Søren; Pedersen, Jeppe Gerner; Herdal, Thor

    2016-01-01

    We explore means of designing and evaluating initial visualization ideas, with concrete and realistic data in cases where data is not readily available. Our approach is useful in exploring new domains and avenues for visualization, and contrasts other visualization work, which typically operate...... under the assumption that data has already been collected, and is ready to be visualized. We argue that it is sensible to understand data requirements and evaluate the potential value of visualization before devising means of automatic data collection. We base our exploration on three cases selected...... the design case and problem, the manner in which we collected data, and the findings obtained from evaluations. Afterwards, we describe four factors of our data collection approach, and discuss potential outcomes from it....

  18. Simulating realistic implementations of spin field effect transistor

    Science.gov (United States)

    Gao, Yunfei; Lundstrom, Mark S.; Nikonov, Dmitri E.

    2011-04-01

    The spin field effect transistor (spinFET), consisting of two ferromagnetic source/drain contacts and a Si channel, is predicted to have outstanding device and circuit performance. We carry out a rigorous numerical simulation of the spinFET based on the nonequilibrium Green's function formalism self-consistently coupled with a Poisson solver to produce the device I-V characteristics. Good agreement with the recent experiments in terms of spin injection, spin transport, and the magnetoresistance ratio (MR) is obtained. We include factors crucial for realistic devices: tunneling through a dielectric barrier, and spin relaxation at the interface and in the channel. Using these simulations, we suggest ways of optimizing the device. We propose that by choosing the right contact material and inserting tunnel oxide barriers between the source/drain and channel to filter different spins, the MR can be restored to ˜2000%, which would be beneficial to the reconfigurable logic circuit application.

  19. Is islet transplantation a realistic approach to curing diabetes?

    Science.gov (United States)

    Jin, Sang-Man; Kim, Kwang-Won

    2017-01-01

    Since the report of type 1 diabetes reversal in seven consecutive patients by the Edmonton protocol in 2000, pancreatic islet transplantation has been reappraised based on accumulated clinical evidence. Although initially expected to therapeutically target long-term insulin independence, islet transplantation is now indicated for more specific clinical benefits. With the long-awaited report of the first phase 3 clinical trial in 2016, allogeneic islet transplantation is now transitioning from an experimental to a proven therapy for type 1 diabetes with problematic hypoglycemia. Islet autotransplantation has already been therapeutically proven in chronic pancreatitis with severe abdominal pain refractory to conventional treatments, and it holds promise for preventing diabetes after partial pancreatectomy due to benign pancreatic tumors. Based on current evidence, this review focuses on islet transplantation as a realistic approach to treating diabetes.

  20. Realistic limitations of detecting planets around young active stars

    Directory of Open Access Journals (Sweden)

    Pinfield D.

    2013-04-01

    Full Text Available Current planet hunting methods using the radial velocity method are limited to observing middle-aged main-sequence stars where the signatures of stellar activity are much less than on young stars that have just arrived on the main-sequence. In this work we apply our knowledge from the surface imaging of these young stars to place realistic limitations on the possibility of detecting orbiting planets. In general we find that the magnitude of the stellar jitter is directly proportional to the stellar vsini. For G and K dwarfs, we find that it is possible, for models with high stellar activity and low stellar vsini, to be able to detect a 1 MJupiter mass planet within 50 epochs of observations and for the M dwarfs it is possible to detect a habitable zone Earth-like planet in 10s of observational epochs.

  1. Realistic electrostatic potentials in a neutron star crust

    International Nuclear Information System (INIS)

    Ebel, Claudio; Mishustin, Igor; Greiner, Walter

    2015-01-01

    We study the electrostatic properties of inhomogeneous nuclear matter which can be formed in the crusts of neutron stars or in supernova explosions. Such matter is represented by Wigner–Seitz cells of different geometries (spherical, cylindrical, cartesian), which contain nuclei, free neutrons and electrons under the conditions of electrical neutrality. Using the Thomas–Fermi approximation, we have solved the Poisson equation for the electrostatic potential and calculated the corresponding electron density distributions in individual cells. The calculations are done for different shapes and sizes of the cells and different average baryon densities. The electron-to-baryon fraction was fixed at 0.3. Using realistic electron distributions leads to a significant reduction in electrostatic energy and electron chemical potential. (paper)

  2. Finite Time Blowup in a Realistic Food-Chain Model

    KAUST Repository

    Parshad, Rana

    2013-05-19

    We investigate a realistic three-species food-chain model, with generalist top predator. The model based on a modified version of the Leslie-Gower scheme incorporates mutual interference in all the three populations and generalizes several other known models in the ecological literature. We show that the model exhibits finite time blowup in certain parameter range and for large enough initial data. This result implies that finite time blowup is possible in a large class of such three-species food-chain models. We propose a modification to the model and prove that the modified model has globally existing classical solutions, as well as a global attractor. We reconstruct the attractor using nonlinear time series analysis and show that it pssesses rich dynamics, including chaos in certain parameter regime, whilst avoiding blowup in any parameter regime. We also provide estimates on its fractal dimension as well as provide numerical simulations to visualise the spatiotemporal chaos.

  3. Electron distribution in polar heterojunctions within a realistic model

    Energy Technology Data Exchange (ETDEWEB)

    Tien, Nguyen Thanh, E-mail: thanhtienctu@gmail.com [College of Natural Science, Can Tho University, 3-2 Road, Can Tho City (Viet Nam); Thao, Dinh Nhu [Center for Theoretical and Computational Physics, College of Education, Hue University, 34 Le Loi Street, Hue City (Viet Nam); Thao, Pham Thi Bich [College of Natural Science, Can Tho University, 3-2 Road, Can Tho City (Viet Nam); Quang, Doan Nhat [Institute of Physics, Vietnamese Academy of Science and Technology, 10 Dao Tan Street, Hanoi (Viet Nam)

    2015-12-15

    We present a theoretical study of the electron distribution, i.e., two-dimensional electron gas (2DEG) in polar heterojunctions (HJs) within a realistic model. The 2DEG is confined along the growth direction by a triangular quantum well with a finite potential barrier and a bent band figured by all confinement sources. Therein, interface polarization charges take a double role: they induce a confining potential and, furthermore, they can make some change in other confinements, e.g., in the Hartree potential from ionized impurities and 2DEG. Confinement by positive interface polarization charges is necessary for the ground state of 2DEG existing at a high sheet density. The 2DEG bulk density is found to be increased in the barrier, so that the scattering occurring in this layer (from interface polarization charges and alloy disorder) becomes paramount in a polar modulation-doped HJ.

  4. Magnetic exchange at realistic CoO/Ni interfaces

    KAUST Repository

    Grytsyuk, Sergiy; Cossu, Fabrizio; Schwingenschlö gl, Udo

    2012-01-01

    We study the CoO/Ni interface by first principles calculations. Because the lattice mismatch is large, a realistic description requires a huge supercell. We investigate two interface configurations: in interface 1 the coupling between the Ni and Co atoms is mediated by O, whereas in interface 2 the Ni and Co atoms are in direct contact. We find that the magnetization (including the orbital moment) in interface 1 has a similar value as in bulk Ni but opposite sign, while in interface 2 it grows by 164%. The obtained magnetic moments can be explained by the local atomic environments. In addition, we find effects of charge transfer between the interface atoms. The Co 3d local density of states of interface 2 exhibits surprisingly small deviations from the corresponding bulk result, although the first coordination sphere is no longer octahedral. © Springer-Verlag 2012.

  5. Radioactive waste management in Brazil: a realistic view

    Energy Technology Data Exchange (ETDEWEB)

    Heilbron Filho, Paulo Fernando Lavalle; Perez Guerrero, Jesus Salvador, E-mail: paulo@cnen.gov.br, E-mail: jperez@cnen.gov.br [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil); Xavier, Ana Maria, E-mail: axavier@cnen.gov.br [Comissao Nacional de Energia Nuclear (ESPOA/CNEN-RS), Porto Alegre, RS (Brazil)

    2014-07-01

    The objective of this article is to present a realistic view of the main issues related to the management of radioactive waste in Brazil as well as a comprehensive picture of the regulatory waste management status in the country and internationally. Technical aspects that must be considered to ensure a safe construction of near surface disposal facilities for radioactive waste of low and medium levels of radiation are addressed. Different types of deposits, the basic regulatory issues involving the licensing of these facilities, the development of a financial compensation model for the Brazilian Municipalities where deposits are to be placed, the importance of the participation of the scientific community and society in the process of radioactive waste site selection and disposal, guidance for the application of the basic requirements of safety and radiation protection, the general safety aspects involved and the current actions for the disposal of radioactive waste in Brazil are highlighted. (author)

  6. Interacting dark sector with transversal interaction

    Energy Technology Data Exchange (ETDEWEB)

    Chimento, Luis P.; Richarte, Martín G. [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and IFIBA, CONICET, Ciudad Universitaria, Pabellón I, Buenos Aires 1428 (Argentina)

    2015-03-26

    We investigate the interacting dark sector composed of dark matter, dark energy, and dark radiation for a spatially flat Friedmann-Robertson-Walker (FRW) background by introducing a three-dimensional internal space spanned by the interaction vector Q and solve the source equation for a linear transversal interaction. Then, we explore a realistic model with dark matter coupled to a scalar field plus a decoupled radiation term, analyze the amount of dark energy in the radiation era and find that our model is consistent with the recent measurements of cosmic microwave background anisotropy coming from Planck along with the future constraints achievable by CMBPol experiment.

  7. Modeling and Analysis of Realistic Fire Scenarios in Spacecraft

    Science.gov (United States)

    Brooker, J. E.; Dietrich, D. L.; Gokoglu, S. A.; Urban, D. L.; Ruff, G. A.

    2015-01-01

    An accidental fire inside a spacecraft is an unlikely, but very real emergency situation that can easily have dire consequences. While much has been learned over the past 25+ years of dedicated research on flame behavior in microgravity, a quantitative understanding of the initiation, spread, detection and extinguishment of a realistic fire aboard a spacecraft is lacking. Virtually all combustion experiments in microgravity have been small-scale, by necessity (hardware limitations in ground-based facilities and safety concerns in space-based facilities). Large-scale, realistic fire experiments are unlikely for the foreseeable future (unlike in terrestrial situations). Therefore, NASA will have to rely on scale modeling, extrapolation of small-scale experiments and detailed numerical modeling to provide the data necessary for vehicle and safety system design. This paper presents the results of parallel efforts to better model the initiation, spread, detection and extinguishment of fires aboard spacecraft. The first is a detailed numerical model using the freely available Fire Dynamics Simulator (FDS). FDS is a CFD code that numerically solves a large eddy simulation form of the Navier-Stokes equations. FDS provides a detailed treatment of the smoke and energy transport from a fire. The simulations provide a wealth of information, but are computationally intensive and not suitable for parametric studies where the detailed treatment of the mass and energy transport are unnecessary. The second path extends a model previously documented at ICES meetings that attempted to predict maximum survivable fires aboard space-craft. This one-dimensional model implies the heat and mass transfer as well as toxic species production from a fire. These simplifications result in a code that is faster and more suitable for parametric studies (having already been used to help in the hatch design of the Multi-Purpose Crew Vehicle, MPCV).

  8. Percolation dans des reseaux realistes de nanostructures de carbone

    Science.gov (United States)

    Simoneau, Louis-Philippe

    Carbon nanotubes have very interesting mechanical and electrical properties for various applications in electronics. They are highly resistant to deformation and can be excellent conductors or semiconductors. However, manipulating individual nanotubes to build structured devices remains very difficult. There is no method for controlling all of the electrical properties, the orientation and the spatial positioning of a large number of nanotubes. The fabrication of disordered networks of nanotubes is much easier, and these systems have a good electrical conductivity which makes them very interesting, especially as materials of transparent and flexible electrodes. There are three main methods of production used to make networks of nanotubes: the solution deposition, the direct growth on substrate and the embedding in a polymer matrix. The solution deposition method can form networks of various densities on a variety of substrates, the direct growth of nanotubes allows the creation of very clean networks on substrates such as SiO2, and the embedding in a polymer matrix can give composite volumes containing varying amounts of nanotubes. Many parameters such as the length of the tubes, their orientation or their tortuosity influence the properties of these networks and the presence of structural disorder complicates the understanding of their interactions. Predicting the properties of a network, such as conductivity, from a few characteristics such as size and density of the tubes can be difficult. This task becomes even more complex if one wants to identify the parameters that will optimize the performance of a device containing the material. We chose to address the carbon nanotube networks problem by developing a series of computer simulation tools that are mainly based on the Monte Carlo method. We take into account a large number of parameters to describe the characteristics of the networks, which allows for a more reliable representation of real networks as well as

  9. Realistic natural atmospheric phenomena and weather effects for interactive virtual environments

    Science.gov (United States)

    McLoughlin, Leigh

    Clouds and the weather are important aspects of any natural outdoor scene, but existing dynamic techniques within computer graphics only offer the simplest of cloud representations. The problem that this work looks to address is how to provide a means of simulating clouds and weather features such as precipitation, that are suitable for virtual environments. Techniques for cloud simulation are available within the area of meteorology, but numerical weather prediction systems are computationally expensive, give more numerical accuracy than we require for graphics and are restricted to the laws of physics. Within computer graphics, we often need to direct and adjust physical features or to bend reality to meet artistic goals, which is a key difference between the subjects of computer graphics and physical science. Pure physically-based simulations, however, evolve their solutions according to pre-set rules and are notoriously difficult to control. The challenge then is for the solution to be computationally lightweight and able to be directed in some measure while at the same time producing believable results. This work presents a lightweight physically-based cloud simulation scheme that simulates the dynamic properties of cloud formation and weather effects. The system simulates water vapour, cloud water, cloud ice, rain, snow and hail. The water model incorporates control parameters and the cloud model uses an arbitrary vertical temperature profile, with a tool described to allow the user to define this. The result of this work is that clouds can now be simulated in near real-time complete with precipitation. The temperature profile and tool then provide a means of directing the resulting formation..

  10. Dynamic assessment of bridge deck performance considering realistic bridge-traffic interaction

    Science.gov (United States)

    2017-09-01

    Concrete bridge decks are directly exposed to daily traffic loads and may experience some surface cracking caused by excessive stress or fatigue accumulation, which requires repair or replacement. Among typical bridges in North America, bridge decks ...

  11. Dynamic assessment of bridge deck performance considering realistic bridge-traffic interaction : research brief

    Science.gov (United States)

    2017-09-01

    This study is to develop simulation methodology to conduct the dynamic assessment of bridge deck performance subjected to traffic. Concrete bridge decks are exposed to daily traffic loads and may experience some surface cracking caused by excessive s...

  12. When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

    Science.gov (United States)

    Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

    2018-05-25

    Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  13. Toward developing more realistic groundwater models using big data

    Science.gov (United States)

    Vahdat Aboueshagh, H.; Tsai, F. T. C.; Bhatta, D.; Paudel, K.

    2017-12-01

    Rich geological data is the backbone of developing realistic groundwater models for groundwater resources management. However, constructing realistic groundwater models can be challenging due to inconsistency between different sources of geological, hydrogeological and geophysical data and difficulty in processing big data to characterize the subsurface environment. This study develops a framework to utilize a big geological dataset to create a groundwater model for the Chicot Aquifer in the southwestern Louisiana, which borders on the Gulf of Mexico at south. The Chicot Aquifer is the principal source of fresh water in southwest Louisiana, underlying an area of about 9,000 square miles. Agriculture is the largest groundwater consumer in this region and overpumping has caused significant groundwater head decline and saltwater intrusion from the Gulf and deep formations. A hydrostratigraphy model was constructed using around 29,000 electrical logs and drillers' logs as well as screen lengths of pumping wells through a natural neighbor interpolation method. These sources of information have different weights in terms of accuracy and trustworthy. A data prioritization procedure was developed to filter untrustworthy log information, eliminate redundant data, and establish consensus of various lithological information. The constructed hydrostratigraphy model shows 40% sand facies, which is consistent with the well log data. The hydrostratigraphy model confirms outcrop areas of the Chicot Aquifer in the north of the study region. The aquifer sand formation is thinning eastward to merge into Atchafalaya River alluvial aquifer and coalesces to the underlying Evangeline aquifer. A grid generator was used to convert the hydrostratigraphy model into a MODFLOW grid with 57 layers. A Chicot groundwater model was constructed using the available hydrologic and hydrogeological data for 2004-2015. Pumping rates for irrigation wells were estimated using the crop type and acreage

  14. Using technology to engage hospitalised patients in their care: a realist review.

    Science.gov (United States)

    Roberts, Shelley; Chaboyer, Wendy; Gonzalez, Ruben; Marshall, Andrea

    2017-06-06

    Patient participation in health care is associated with improved outcomes for patients and hospitals. New technologies are creating vast potential for patients to participate in care at the bedside. Several studies have explored patient use, satisfaction and perceptions of health information technology (HIT) interventions in hospital. Understanding what works for whom, under what conditions, is important when considering interventions successfully engaging patients in care. This realist review aimed to determine key features of interventions using bedside technology to engage hospital patients in their care and analyse these in terms of context, mechanisms and outcomes. A realist review was chosen to explain how and why complex HIT interventions work or fail within certain contexts. The review was guided by Pawson's realist review methodology, involving: clarifying review scope; searching for evidence; data extraction and evidence appraisal; synthesising evidence and drawing conclusions. Author experience and an initial literature scope provided insight and review questions and theories (propositions) around why interventions worked were developed and iteratively refined. A purposive search was conducted to find evidence to support, refute or identify further propositions, which formed an explanatory model. Each study was 'mined' for evidence to further develop the propositions and model. Interactive learning was the overarching theme of studies using technology to engage patients in their care. Several propositions underpinned this, which were labelled: information sharing; self-assessment and feedback; tailored education; user-centred design; and support in use of HIT. As studies were mostly feasibility or usability studies, they reported patient-centred outcomes including patient acceptability, satisfaction and actual use of HIT interventions. For each proposition, outcomes were proposed to come about by mechanisms including improved communication, shared

  15. Implementing enhanced recovery pathways: a literature review with realist synthesis.

    Science.gov (United States)

    Coxon, Astrid; Nielsen, Karina; Cross, Jane; Fox, Chris

    2017-10-01

    Enhanced Recovery Pathways (ERPs) are an increasingly popular, evidenced-based approach to surgery, designed to improve patient outcomes and reduce costs. Despite evidence demonstrating the benefits of these pathways, implementation and adherence have been inconsistent. Using realist synthesis, this review explored the current literature surrounding the implementation of ERPs in the UK. Knowledge consolidation between authors and consulting with field experts helped to guide the search strategy. Relevant medical and social science databases were searched from 2000 to 2016, as well as a general web search. A total of 17 papers were identified, including original research, reviews, case studies and guideline documents. Full texts were analysed, cross-examined, and data extracted and synthesised. Several implementation strategies were identified, including the contexts in which these operated, the subsequent mechanisms of action that were triggered, and the outcome patterns they produced. Context-Mechanism-Outcome (CMO) configurations were generated, tested, and refined. These were grouped to develop two programme theories concerning ERP implementation, one related to the strategy of consulting with staff, the other with appointing a change agent to coordinate and drive the implementation process. These theories highlight instances in which implementation could be improved. Current literature in ERP research is primarily focussed on measuring patient outcomes and cost effectiveness, and as a result, important detail regarding the implementation process is often not reported or described robustly. This review not only provides recommendations for future improvements in ERP implementation, but also highlights specific areas of focus for furthering ERP implementation research.

  16. A Data-Driven Approach to Realistic Shape Morphing

    KAUST Repository

    Gao, Lin; Lai, Yu-Kun; Huang, Qi-Xing; Hu, Shi-Min

    2013-01-01

    Morphing between 3D objects is a fundamental technique in computer graphics. Traditional methods of shape morphing focus on establishing meaningful correspondences and finding smooth interpolation between shapes. Such methods however only take geometric information as input and thus cannot in general avoid producing unnatural interpolation, in particular for large-scale deformations. This paper proposes a novel data-driven approach for shape morphing. Given a database with various models belonging to the same category, we treat them as data samples in the plausible deformation space. These models are then clustered to form local shape spaces of plausible deformations. We use a simple metric to reasonably represent the closeness between pairs of models. Given source and target models, the morphing problem is casted as a global optimization problem of finding a minimal distance path within the local shape spaces connecting these models. Under the guidance of intermediate models in the path, an extended as-rigid-as-possible interpolation is used to produce the final morphing. By exploiting the knowledge of plausible models, our approach produces realistic morphing for challenging cases as demonstrated by various examples in the paper. © 2013 The Eurographics Association and Blackwell Publishing Ltd.

  17. Bayesian inversion using a geologically realistic and discrete model space

    Science.gov (United States)

    Jaeggli, C.; Julien, S.; Renard, P.

    2017-12-01

    Since the early days of groundwater modeling, inverse methods play a crucial role. Many research and engineering groups aim to infer extensive knowledge of aquifer parameters from a sparse set of observations. Despite decades of dedicated research on this topic, there are still several major issues to be solved. In the hydrogeological framework, one is often confronted with underground structures that present very sharp contrasts of geophysical properties. In particular, subsoil structures such as karst conduits, channels, faults, or lenses, strongly influence groundwater flow and transport behavior of the underground. For this reason it can be essential to identify their location and shape very precisely. Unfortunately, when inverse methods are specially trained to consider such complex features, their computation effort often becomes unaffordably high. The following work is an attempt to solve this dilemma. We present a new method that is, in some sense, a compromise between the ergodicity of Markov chain Monte Carlo (McMC) methods and the efficient handling of data by the ensemble based Kalmann filters. The realistic and complex random fields are generated by a Multiple-Point Statistics (MPS) tool. Nonetheless, it is applicable with any conditional geostatistical simulation tool. Furthermore, the algorithm is independent of any parametrization what becomes most important when two parametric systems are equivalent (permeability and resistivity, speed and slowness, etc.). When compared to two existing McMC schemes, the computational effort was divided by a factor of 12.

  18. Nonstandard Farey sequences in a realistic diode map

    International Nuclear Information System (INIS)

    Perez, G.; Sinha, S.; Cerdeira, H.

    1991-06-01

    We study a realistic coupled map system, modelling a p - i - n diode structure. As we vary the parameter corresponding to the (scaled) external potential in the model, the dynamics goes through a flip bifurcation and then a Hopf bifurcation, and as the parameter is increased further, we find evidence of a sequence of mode locked windows embedded in the quasiperiodic motion, with periodic attractors whose winding numbers p = p/q, are given by a Farey series. The interesting thing about this Farey sequence is that it is generated between two parent attractors with p = 2/7 and 2/8, where 2/8 implies two distinct coexisting attractors with p = 1/4, and the correct series is obtained only when we use parent winding number 2/8 and not 1/4. So unlike a regular Farey tree, p and q need not be relatively prime here, p = 2 x p/2 x q is permissible, where such attractors are actually comprised of two coexisting attractors with p = p/q. We also checked that the positions and widths of these windows exhibit well defined power law scaling. When the potential is increased further, the Farey windows still provide a ''skeleton'' for the dynamics, and within each window there is a host of other interesting dynamical features, including multiple forward and reverse Feigenbaum trees. (author). 15 refs, 7 figs

  19. Modelisation of synchrotron radiation losses in realistic tokamak plasmas

    International Nuclear Information System (INIS)

    Albajar, F.; Johner, J.; Granata, G.

    2000-08-01

    Synchrotron radiation losses become significant in the power balance of high-temperature plasmas envisaged for next step tokamaks. Due to the complexity of the exact calculation, these losses are usually roughly estimated with expressions derived from a plasma description using simplifying assumptions on the geometry, radiation absorption, and density and temperature profiles. In the present article, the complete formulation of the transport of synchrotron radiation is performed for realistic conditions of toroidal plasma geometry with elongated cross-section, using an exact method for the calculation of the absorption coefficient, and for arbitrary shapes of density and temperature profiles. The effects of toroidicity and temperature profile on synchrotron radiation losses are analyzed in detail. In particular, when the electron temperature profile is almost flat in the plasma center, as for example in ITB confinement regimes, synchrotron losses are found to be much stronger than in the case where the profile is represented by its best generalized parabolic approximation, though both cases give approximately the same thermal energy contents. Such an effect is not included in present approximate expressions. Finally, we propose a seven-variable fit for the fast calculation of synchrotron radiation losses. This fit is derived from a large database, which has been generated using a code implementing the complete formulation and optimized for massively parallel computing. (author)

  20. From Delivery to Adoption of Physical Activity Guidelines: Realist Synthesis

    Directory of Open Access Journals (Sweden)

    Liliana Leone

    2017-10-01

    Full Text Available Background: Evidence-based guidelines published by health authorities for the promotion of health-enhancing physical activity (PA, continue to be implemented unsuccessfully and demonstrate a gap between evidence and policies. This review synthesizes evidence on factors influencing delivery, adoption and implementation of PA promotion guidelines within different policy sectors (e.g., health, transport, urban planning, sport, education. Methods: Published literature was initially searched using PubMed, EBSCO, Google Scholar and continued through an iterative snowball technique. The literature review spanned the period 2002–2017. The realist synthesis approach was adopted to review the content of 39 included studies. An initial programme theory with a four-step chain from evidence emersion to implementation of guidelines was tested. Results: The synthesis furthers our understanding of the link between PA guidelines delivery and the actions of professionals responsible for implementation within health services, school departments and municipalities. The main mechanisms identified for guidance implementation were scientific legitimation, enforcement, feasibility, familiarity with concepts and PA habits. Threats emerged to the successful implementation of PA guidelines at national/local jurisdictional levels. Conclusions: The way PA guidelines are developed may influence their adoption by policy-makers and professionals. Useful lessons emerged that may inform synergies between policymaking and professional practices, promoting win-win multisectoral strategies.

  1. Improved transcranial magnetic stimulation coil design with realistic head modeling

    Science.gov (United States)

    Crowther, Lawrence; Hadimani, Ravi; Jiles, David

    2013-03-01

    We are investigating Transcranial magnetic stimulation (TMS) as a noninvasive technique based on electromagnetic induction which causes stimulation of the neurons in the brain. TMS can be used as a pain-free alternative to conventional electroconvulsive therapy (ECT) which is still widely implemented for treatment of major depression. Development of improved TMS coils capable of stimulating subcortical regions could also allow TMS to replace invasive deep brain stimulation (DBS) which requires surgical implantation of electrodes in the brain. Our new designs allow new applications of the technique to be established for a variety of diagnostic and therapeutic applications of psychiatric disorders and neurological diseases. Calculation of the fields generated inside the head is vital for the use of this method for treatment. In prior work we have implemented a realistic head model, incorporating inhomogeneous tissue structures and electrical conductivities, allowing the site of neuronal activation to be accurately calculated. We will show how we utilize this model in the development of novel TMS coil designs to improve the depth of penetration and localization of stimulation produced by stimulator coils.

  2. Factors influencing intercultural doctor-patient communication: a realist review.

    Science.gov (United States)

    Paternotte, Emma; van Dulmen, Sandra; van der Lee, Nadine; Scherpbier, Albert J J A; Scheele, Fedde

    2015-04-01

    Due to migration, doctors see patients from different ethnic backgrounds. This causes challenges for the communication. To develop training programs for doctors in intercultural communication (ICC), it is important to know which barriers and facilitators determine the quality of ICC. This study aimed to provide an overview of the literature and to explore how ICC works. A systematic search was performed to find literature published before October 2012. The search terms used were cultural, communication, healthcare worker. A realist synthesis allowed us to use an explanatory focus to understand the interplay of communication. In total, 145 articles met the inclusion criteria. We found ICC challenges due to language, cultural and social differences, and doctors' assumptions. The mechanisms were described as factors influencing the process of ICC and divided into objectives, core skills and specific skills. The results were synthesized in a framework for the development of training. The quality of ICC is influenced by the context and by the mechanisms. These mechanisms translate into practical points for training, which seem to have similarities with patient-centered communication. Training for improving ICC can be developed as an extension of the existing training for patient-centered communication. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  3. Use of clinical guidelines in remote Australia: A realist evaluation.

    Science.gov (United States)

    Reddy, Sandeep; Orpin, Victoria; Herring, Sally; Mackie-Schneider, Stephanie; Struber, Janet

    2018-02-01

    The aim of this evaluation was to assess the acceptability, accessibility, and compliance with the 2014 editions of the Remote Primary Health Care Manuals (RPHCM) in health care centres across remote areas of Northern and Central Australia. To undertake a comprehensive evaluation that considered context, the evaluation used a realist evaluation framework. The evaluation used a variety of methods including interviews and survey to develop and test a programme theory. Many remote health practitioners have adopted standardized, evidence-based practice because of the use of the RPHCM. The mechanisms that led to the use of the manuals include acceptance of the worth of the protocols to their clinical practice, reliance on manual content to guide their practice, the perception of credibility, the applicability of RPHCM content to the context, and a fear of the consequences of not using the RPHCMs. Some remote health practitioners are less inclined to use the RPHCM regularly because of a perception that the content is less suited to their needs and daily practice or it is hard to navigate or understand. The evaluation concluded that there is work to be done to widen the RPHCM user base, and organizations need to increase support for their staff to use the RPHCM protocols better. These measures are expected to enable standardized clinical practice in the remote context. © 2017 John Wiley & Sons, Ltd.

  4. The construction of ``realistic'' four-dimensional strings through orbifolds

    Science.gov (United States)

    Font, A.; Ibáñez, L. E.; Quevedo, F.; Sierra, A.

    1990-02-01

    We discuss the construction of "realistic" lower rank 4-dimensional strings, through symmetric orbifolds with background fields. We present Z 3 three-generation SU(3) × SU(2) × U(1) models as well as models incorporating a left-right SU(2) L × SU(2) R × U(1) B-L symmetry in which proton stability is automatically guaranteed. Conformal field theory selection rules are used to find the flat directions to all orders which lead to these low-rank models and to study the relevant Yukawa couplings. A hierarchical structure of quark-lepton masses appears naturally in some models. We also present a detailed study of the structure of the Z 3 × Z 3 orbifold including the generalized GSO projection, the effect of discrete torsion and the conformal field theory Yukawa coupling selection rules. All these points are illustrated with a three-generation Z 3 × Z 3 model. We have made an effort to write a self-contained presentation in order to make this material available to non-string experts interested in the phenomenological aspects of this theory.

  5. The construction of 'realistic' four-dimensional strings through orbifolds

    International Nuclear Information System (INIS)

    Font, A.; Quevedo, F.; Sierra, A.

    1990-01-01

    We discuss the construction of 'realistic' lower rank 4-dimensional strings, through symmetric orbifolds with background fields. We present Z 3 three-generation SU(3)xSU(2)xU(1) models as well as models incorporating a left-right SU(2) L xSU(2) R xU(1) B-L symmetry in which proton stability is automatically guaranteed. Conformal field theory selection rules are used to find the flat directions to all orders which lead to these low-rank models and to study the relevant Yukawa couplings. A hierarchical structure of quark-lepton masses appears naturally in some models. We also present a detailed study of the structure of the Z 3 xZ 3 orbifold including the generalized GSO projection, the effect of discrete torsion and the conformal field theory Yukawa coupling selection rules. All these points are illustrated with a three-generation Z 3 xZ 3 model. We have made an effort to write a self-contained presentation in order to make this material available to non-string experts interested in the phenomenological aspects of this theory. (orig.)

  6. Management of long term sickness absence: a systematic realist review.

    Science.gov (United States)

    Higgins, Angela; O'Halloran, Peter; Porter, Sam

    2012-09-01

    The increasing impact and costs of long term sickness absence have been well documented. However, the diversity and complexity of interventions and of the contexts in which these take place makes a traditional review problematic. Therefore, we undertook a systematic realist review to identify the dominant programme theories underlying best practice, to assess the evidence for these theories, and to throw light on important enabling or disabling contextual factors. A search of the scholarly literature from 1950 to 2011 identified 5,576 articles, of which 269 formed the basis of the review. We found that the dominant programme theories in relation to effective management related to: early intervention or referral by employers; having proactive organisational procedures; good communication and cooperation between stakeholders; and workplace-based occupational rehabilitation. Significant contextual factors were identified as the level of support for interventions from top management, the size and structure of the organisation, the level of financial and organisational investment in the management of long-term sickness absence, and the quality of relationships between managers and staff. Consequently, those with responsibility for managing absence should bear in mind the contextual factors that are likely to have an impact on interventions, and do what they can to ensure stakeholders have at least a mutual understanding (if not a common purpose) in relation to their perceptions of interventions, goals, culture and practice in the management of long term sickness absence.

  7. Nucleon decay in a realistic SO(10) SUSY GUT

    International Nuclear Information System (INIS)

    Lucas, V.; Raby, S.

    1997-01-01

    In this paper, we calculate neutron and proton decay rates and branching ratios in a predictive SO(10) SUSY GUT which agrees well with low energy data. We show that the nucleon lifetimes are consistent with the experimental bounds. The nucleon decay rates are calculated using all one-loop chargino and gluino-dressed diagrams regardless of their chiral structure. We show that the four-fermion operator C jk (u R d jR )(d kL ν τL ), commonly neglected in previous nucleon decay calculations, not only contributes significantly to nucleon decay, but, for many values of the initial GUT parameters and for large tanβ, actually dominates the decay rate. As a consequence, we find that τ p /τ n is often substantially larger than the prediction obtained in small tanβ models. We also find that gluino-dressed diagrams, often neglected in nucleon decay calculations, contribute significantly to nucleon decay. In addition we find that the branching ratios obtained from this realistic SO(10) SUSY GUT differ significantly from the predictions obtained from open-quotes genericclose quotes SU(5) SUSY GUT close-quote s. Thus, nucleon decay branching ratios, when observed, can be used to test theories of fermion masses. copyright 1997 The American Physical Society

  8. A Realistic Seizure Prediction Study Based on Multiclass SVM.

    Science.gov (United States)

    Direito, Bruno; Teixeira, César A; Sales, Francisco; Castelo-Branco, Miguel; Dourado, António

    2017-05-01

    A patient-specific algorithm, for epileptic seizure prediction, based on multiclass support-vector machines (SVM) and using multi-channel high-dimensional feature sets, is presented. The feature sets, combined with multiclass classification and post-processing schemes aim at the generation of alarms and reduced influence of false positives. This study considers 216 patients from the European Epilepsy Database, and includes 185 patients with scalp EEG recordings and 31 with intracranial data. The strategy was tested over a total of 16,729.80[Formula: see text]h of inter-ictal data, including 1206 seizures. We found an overall sensitivity of 38.47% and a false positive rate per hour of 0.20. The performance of the method achieved statistical significance in 24 patients (11% of the patients). Despite the encouraging results previously reported in specific datasets, the prospective demonstration on long-term EEG recording has been limited. Our study presents a prospective analysis of a large heterogeneous, multicentric dataset. The statistical framework based on conservative assumptions, reflects a realistic approach compared to constrained datasets, and/or in-sample evaluations. The improvement of these results, with the definition of an appropriate set of features able to improve the distinction between the pre-ictal and nonpre-ictal states, hence minimizing the effect of confounding variables, remains a key aspect.

  9. Uncovering gender discrimination cues in a realistic setting.

    Science.gov (United States)

    Dupuis-Roy, Nicolas; Fortin, Isabelle; Fiset, Daniel; Gosselin, Frédéric

    2009-02-10

    Which face cues do we use for gender discrimination? Few studies have tried to answer this question and the few that have tried typically used only a small set of grayscale stimuli, often distorted and presented a large number of times. Here, we reassessed the importance of facial cues for gender discrimination in a more realistic setting. We applied Bubbles-a technique that minimizes bias toward specific facial features and does not necessitate the distortion of stimuli-to a set of 300 color photographs of Caucasian faces, each presented only once to 30 participants. Results show that the region of the eyes and the eyebrows-probably in the light-dark channel-is the most important facial cue for accurate gender discrimination; and that the mouth region is driving fast correct responses (but not fast incorrect responses)-the gender discrimination information in the mouth region is concentrated in the red-green color channel. Together, these results suggest that, when color is informative in the mouth region, humans use it and respond rapidly; and, when it's not informative, they have to rely on the more robust but more sluggish luminance information in the eye-eyebrow region.

  10. Linear perspective limitations on virtual reality and realistic displays

    Science.gov (United States)

    Temme, Leonard A.

    2007-04-01

    The visual images of the natural world, with their immediate intuitive appeal, seem like the logical gold standard for evaluating displays. After all, since photorealistic displays look so increasingly like the real world, what could be better? Part of the shortcoming of this intuitive appeal for displays is its naivete. Realism itself is full of potential illusions that we do not notice because, most of the time, realism is good enough for our everyday tasks. But when confronted with tasks that go beyond those for which our visual system has evolved, we may be blindsided. If we survive, blind to our erroneous perceptions and oblivious to our good fortune at having survived, we will not be any wiser next time. Realist displays depend on linear perspective (LP), the mathematical mapping of three dimensions onto two. Despite the fact that LP is a seductively elegant system that predicts results with defined mathematical procedures, artists do not stick to the procedures, not because they are math-phobic but because LP procedures, if followed explicitly, produce ugly, limited, and distorted images. If artists bother with formal LP procedures at all, they invariably temper the renderings by eye. The present paper discusses LP assumptions, limitations, and distortions. It provides examples of kluges to cover some of these LP shortcomings. It is important to consider the limitations of LP so that we do not let either naive assumptions or the seductive power of LP guide our thinking or expectations unrealistically as we consider its possible uses in advanced visual displays.

  11. Urban renewal, gentrification and health equity: a realist perspective.

    Science.gov (United States)

    Mehdipanah, Roshanak; Marra, Giulia; Melis, Giulia; Gelormino, Elena

    2018-04-01

    Up to now, research has focused on the effects of urban renewal programs and their impacts on health. While some of this research points to potential negative health effects due to gentrification, evidence that addresses the complexity associated with this relation is much needed. This paper seeks to better understand when, why and how health inequities arise from urban renewal interventions resulting in gentrification. A realist review, a qualitative systematic review method, aimed to better explain the relation between context, mechanism and outcomes, was used. A literature search was done to identify theoretical models of how urban renewal programs can result in gentrification, which in turn could have negative impacts on health. A systematic approach was then used to identify peer-reviewed studies that provided evidence to support or refute the initial assumptions. Urban renewal programs that resulted in gentrification tended to have negative health effects primarily in residents that were low-income. Urban renewal policies that were inclusive of populations that are vulnerable, from the beginning were less likely to result in gentrification and more likely to positively impact health through physical and social improvements. Research has shown urban renewal policies have significant impacts on populations that are vulnerable and those that result in gentrification can result in negative health consequences for this population. A better understanding of this is needed to impact future policies and advocate for a community-participatory model that includes such populations in the early planning stages.

  12. Towards realistic string vacua from branes at singularities

    Science.gov (United States)

    Conlon, Joseph P.; Maharana, Anshuman; Quevedo, Fernando

    2009-05-01

    We report on progress towards constructing string models incorporating both realistic D-brane matter content and moduli stabilisation with dynamical low-scale supersymmetry breaking. The general framework is that of local D-brane models embedded into the LARGE volume approach to moduli stabilisation. We review quiver theories on del Pezzo n (dPn) singularities including both D3 and D7 branes. We provide supersymmetric examples with three quark/lepton families and the gauge symmetries of the Standard, Left-Right Symmetric, Pati-Salam and Trinification models, without unwanted chiral exotics. We describe how the singularity structure leads to family symmetries governing the Yukawa couplings which may give mass hierarchies among the different generations. We outline how these models can be embedded into compact Calabi-Yau compactifications with LARGE volume moduli stabilisation, and state the minimal conditions for this to be possible. We study the general structure of soft supersymmetry breaking. At the singularity all leading order contributions to the soft terms (both gravity- and anomaly-mediation) vanish. We enumerate subleading contributions and estimate their magnitude. We also describe model-independent physical implications of this scenario. These include the masses of anomalous and non-anomalous U(1)'s and the generic existence of a new hyperweak force under which leptons and/or quarks could be charged. We propose that such a gauge boson could be responsible for the ghost muon anomaly recently found at the Tevatron's CDF detector.

  13. A Data-Driven Approach to Realistic Shape Morphing

    KAUST Repository

    Gao, Lin

    2013-05-01

    Morphing between 3D objects is a fundamental technique in computer graphics. Traditional methods of shape morphing focus on establishing meaningful correspondences and finding smooth interpolation between shapes. Such methods however only take geometric information as input and thus cannot in general avoid producing unnatural interpolation, in particular for large-scale deformations. This paper proposes a novel data-driven approach for shape morphing. Given a database with various models belonging to the same category, we treat them as data samples in the plausible deformation space. These models are then clustered to form local shape spaces of plausible deformations. We use a simple metric to reasonably represent the closeness between pairs of models. Given source and target models, the morphing problem is casted as a global optimization problem of finding a minimal distance path within the local shape spaces connecting these models. Under the guidance of intermediate models in the path, an extended as-rigid-as-possible interpolation is used to produce the final morphing. By exploiting the knowledge of plausible models, our approach produces realistic morphing for challenging cases as demonstrated by various examples in the paper. © 2013 The Eurographics Association and Blackwell Publishing Ltd.

  14. A realistic 3+1D Viscous Hydro Algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Romatschke, Paul [Univ. of Colorado, Boulder, CO (United States)

    2015-05-31

    DoE funds were used as bridge funds for the faculty position for the PI at the University of Colorado. The total funds for the Years 3-5 of the JET Topical Collaboration amounted to about 50 percent of the academic year salary of the PI.The PI contributed to the JET Topical Collaboration by developing, testing and applying algorithms for a realistic simulation of the bulk medium created in relativistic ion collisions.Specifically, two approaches were studied, one based on a new Lattice-Boltzmann (LB) framework, and one on a more traditional viscous hydro-dynamics framework. Both approaches were found to be viable in principle, with the LB approach being more elegant but needing still more time to develop.The traditional approach led to the super-hybrid model of ion collisions dubbed 'superSONIC', and has been successfully used for phenomenology of relativistic heavy-ion and light-on-heavy-ion collisions.In the time-frame of the JET Topical Collaboration, the Colorado group has published 15 articles in peer-reviewed journals, three of which were published in Physical Review Letters. The group graduated one Master student during this time-frame and two more PhD students are expected to graduate in the next few years. The PI has given more than 28 talks and presentations during this period.

  15. Compiling quantum circuits to realistic hardware architectures using temporal planners

    Science.gov (United States)

    Venturelli, Davide; Do, Minh; Rieffel, Eleanor; Frank, Jeremy

    2018-04-01

    To run quantum algorithms on emerging gate-model quantum hardware, quantum circuits must be compiled to take into account constraints on the hardware. For near-term hardware, with only limited means to mitigate decoherence, it is critical to minimize the duration of the circuit. We investigate the application of temporal planners to the problem of compiling quantum circuits to newly emerging quantum hardware. While our approach is general, we focus on compiling to superconducting hardware architectures with nearest neighbor constraints. Our initial experiments focus on compiling Quantum Alternating Operator Ansatz (QAOA) circuits whose high number of commuting gates allow great flexibility in the order in which the gates can be applied. That freedom makes it more challenging to find optimal compilations but also means there is a greater potential win from more optimized compilation than for less flexible circuits. We map this quantum circuit compilation problem to a temporal planning problem, and generated a test suite of compilation problems for QAOA circuits of various sizes to a realistic hardware architecture. We report compilation results from several state-of-the-art temporal planners on this test set. This early empirical evaluation demonstrates that temporal planning is a viable approach to quantum circuit compilation.

  16. OFDM versus Single Carrier: A Realistic Multi-Antenna Comparison

    Directory of Open Access Journals (Sweden)

    Moonen Marc

    2004-01-01

    Full Text Available There is an ongoing discussion in the broadband wireless world about the respective benefits of orthogonal frequency division multiplexing (OFDM and single carrier with frequency domain equalization (SC-FD. SC-FD allows for more relaxed front-end requirements, of which the power amplifier efficiency is very important for battery-driven terminals. OFDM, on the other hand, can yield improved BER performance at low complexity. Both schemes have extensions to multiple antennas to enhance the spectral efficiency and/or the link reliability. Moreover, both schemes have nonlinear versions using decision feedback equalization (DFE to further improve performance of the linear equalizers. In this paper, we compare these high-performance OFDM and SC-FD schemes using multiple antennas and DFE, while also accounting for the power amplifier efficiency. To make a realistic comparison, we also consider most important digital imperfections, such as channel and noise estimation, transmit and receive filtering, clipping and quantization, as well as link layer impact. Our analysis shows that for frequency-selective channels the relative performance impact of the power amplifier is negligible compared to the frequency diversity impact. The higher frequency diversity exploitation of SC-FD allows it to outperform OFDM in most cases. Therefore, SC-FD is a suitable candidate for broadband wireless communication.

  17. Characterizing performance improvement in primary care systems in Mesoamerica: A realist evaluation protocol.

    Science.gov (United States)

    Munar, Wolfgang; Wahid, Syed S; Curry, Leslie

    2018-01-03

    Background . Improving performance of primary care systems in low- and middle-income countries (LMICs) may be a necessary condition for achievement of universal health coverage in the age of Sustainable Development Goals. The Salud Mesoamerica Initiative (SMI), a large-scale, multi-country program that uses supply-side financial incentives directed at the central-level of governments, and continuous, external evaluation of public, health sector performance to induce improvements in primary care performance in eight LMICs. This study protocol seeks to explain whether and how these interventions generate program effects in El Salvador and Honduras. Methods . This study presents the protocol for a study that uses a realist evaluation approach to develop a preliminary program theory that hypothesizes the interactions between context, interventions and the mechanisms that trigger outcomes. The program theory was completed through a scoping review of relevant empirical, peer-reviewed and grey literature; a sense-making workshop with program stakeholders; and content analysis of key SMI documents. The study will use a multiple case-study design with embedded units with contrasting cases. We define as a case the two primary care systems of Honduras and El Salvador, each with different context characteristics. Data will be collected through in-depth interviews with program actors and stakeholders, documentary review, and non-participatory observation. Data analysis will use inductive and deductive approaches to identify causal patterns organized as 'context, mechanism, outcome' configurations. The findings will be triangulated with existing secondary, qualitative and quantitative data sources, and contrasted against relevant theoretical literature. The study will end with a refined program theory. Findings will be published following the guidelines generated by the Realist and Meta-narrative Evidence Syntheses study (RAMESES II). This study will be performed

  18. Convective aggregation in realistic convective-scale simulations

    OpenAIRE

    Holloway, Christopher E.

    2017-01-01

    To investigate the real-world relevance of idealized-model convective self-aggregation, five 15-day cases of real organized convection in the tropics are simulated. These include multiple simulations of each case to test sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. These simulations are compared to self-aggregation seen in the same model configured to run in idealized radiative-convective equilibriu...

  19. Realistic 3D Terrain Roaming and Real-Time Flight Simulation

    Science.gov (United States)

    Que, Xiang; Liu, Gang; He, Zhenwen; Qi, Guang

    2014-12-01

    This paper presents an integrate method, which can provide access to current status and the dynamic visible scanning topography, to enhance the interactive during the terrain roaming and real-time flight simulation. A digital elevation model and digital ortho-photo map data integrated algorithm is proposed as the base algorithm for our approach to build a realistic 3D terrain scene. A new technique with help of render to texture and head of display for generating the navigation pane is used. In the flight simulating, in order to eliminate flying "jump", we employs the multidimensional linear interpolation method to adjust the camera parameters dynamically and steadily. Meanwhile, based on the principle of scanning laser imaging, we draw pseudo color figures by scanning topography in different directions according to the real-time flying status. Simulation results demonstrate that the proposed algorithm is prospective for applications and the method can improve the effect and enhance dynamic interaction during the real-time flight.

  20. Development of Realistic Safety Analysis Technology for CANDU Reactors

    International Nuclear Information System (INIS)

    Park, Joo Hwan; Rhee, B. W.; Rho, G. H.

    2010-04-01

    The following 3 research items have been studied to develop and establish the realistic safety analysis and the associated technologies for a CANDU reactor. At the first, WIMS-CANDU which is physics cell code for a CANDU has been improved and validated against the physics criticality experiment data transferred through the international cooperation programs. Also an improved physics model to take into account the pressure tube creep was developed and utilized to assess the effects of the pressure tube creep of 0%, 2.5% and 5% diametral increase of pressure tube on core physics parameters. Secondly, the interfacing module between physics and thermal-hydraulics codes has been developed to provide the enhancement of reliability and convenience of the calculation results of the physics parameters such as power coefficient which was calculated by independent code systems. Finally, the important parameters related to the complex heat transfer mechanisms in the crept pressure tubes were identified to find how to improve the existing fuel channel models. One of the important parameters such as the oxidation model of Zr-steam reaction was identified, implemented and verified with the experimental data of the high pressure and temperature fuel channel and its model was utilized for CFD analysis of the crept pressure tube effect on the reactor safety. The results were also provided to validate the CATNENA models of the crept pressure tube and the effects of the pressure tube creep on the blowdown and post-blowdown phase during LOCA was assessed. The results of this study can be used to assess the uncertainty analysis of coolant void reactivity and the effects of the creep deformed pressure tubes on physics/TH/safety issues. Also, those results will be used to improve the current design and operational safety analysis codes, and to technically support the related issues to resolve their problems

  1. Magnetic resonance fingerprinting based on realistic vasculature in mice.

    Science.gov (United States)

    Pouliot, Philippe; Gagnon, Louis; Lam, Tina; Avti, Pramod K; Bowen, Chris; Desjardins, Michèle; Kakkar, Ashok K; Thorin, Eric; Sakadzic, Sava; Boas, David A; Lesage, Frédéric

    2017-04-01

    Magnetic resonance fingerprinting (MRF) was recently proposed as a novel strategy for MR data acquisition and analysis. A variant of MRF called vascular MRF (vMRF) followed, that extracted maps of three parameters of physiological importance: cerebral oxygen saturation (SatO 2 ), mean vessel radius and cerebral blood volume (CBV). However, this estimation was based on idealized 2-dimensional simulations of vascular networks using random cylinders and the empirical Bloch equations convolved with a diffusion kernel. Here we focus on studying the vascular MR fingerprint using real mouse angiograms and physiological values as the substrate for the MR simulations. The MR signal is calculated ab initio with a Monte Carlo approximation, by tracking the accumulated phase from a large number of protons diffusing within the angiogram. We first study the identifiability of parameters in simulations, showing that parameters are fully estimable at realistically high signal-to-noise ratios (SNR) when the same angiogram is used for dictionary generation and parameter estimation, but that large biases in the estimates persist when the angiograms are different. Despite these biases, simulations show that differences in parameters remain estimable. We then applied this methodology to data acquired using the GESFIDE sequence with SPIONs injected into 9 young wild type and 9 old atherosclerotic mice. Both the pre injection signal and the ratio of post-to-pre injection signals were modeled, using 5-dimensional dictionaries. The vMRF methodology extracted significant differences in SatO 2 , mean vessel radius and CBV between the two groups, consistent across brain regions and dictionaries. Further validation work is essential before vMRF can gain wider application. Copyright © 2017 Elsevier Inc. All rights reserved.

  2. Biochemical transport modeling, estimation, and detection in realistic environments

    Science.gov (United States)

    Ortner, Mathias; Nehorai, Arye

    2006-05-01

    Early detection and estimation of the spread of a biochemical contaminant are major issues for homeland security applications. We present an integrated approach combining the measurements given by an array of biochemical sensors with a physical model of the dispersion and statistical analysis to solve these problems and provide system performance measures. We approximate the dispersion model of the contaminant in a realistic environment through numerical simulations of reflected stochastic diffusions describing the microscopic transport phenomena due to wind and chemical diffusion using the Feynman-Kac formula. We consider arbitrary complex geometries and account for wind turbulence. Localizing the dispersive sources is useful for decontamination purposes and estimation of the cloud evolution. To solve the associated inverse problem, we propose a Bayesian framework based on a random field that is particularly powerful for localizing multiple sources with small amounts of measurements. We also develop a sequential detector using the numerical transport model we propose. Sequential detection allows on-line analysis and detecting wether a change has occurred. We first focus on the formulation of a suitable sequential detector that overcomes the presence of unknown parameters (e.g. release time, intensity and location). We compute a bound on the expected delay before false detection in order to decide the threshold of the test. For a fixed false-alarm rate, we obtain the detection probability of a substance release as a function of its location and initial concentration. Numerical examples are presented for two real-world scenarios: an urban area and an indoor ventilation duct.

  3. Coil optimisation for transcranial magnetic stimulation in realistic head geometry.

    Science.gov (United States)

    Koponen, Lari M; Nieminen, Jaakko O; Mutanen, Tuomas P; Stenroos, Matti; Ilmoniemi, Risto J

    Transcranial magnetic stimulation (TMS) allows focal, non-invasive stimulation of the cortex. A TMS pulse is inherently weakly coupled to the cortex; thus, magnetic stimulation requires both high current and high voltage to reach sufficient intensity. These requirements limit, for example, the maximum repetition rate and the maximum number of consecutive pulses with the same coil due to the rise of its temperature. To develop methods to optimise, design, and manufacture energy-efficient TMS coils in realistic head geometry with an arbitrary overall coil shape. We derive a semi-analytical integration scheme for computing the magnetic field energy of an arbitrary surface current distribution, compute the electric field induced by this distribution with a boundary element method, and optimise a TMS coil for focal stimulation. Additionally, we introduce a method for manufacturing such a coil by using Litz wire and a coil former machined from polyvinyl chloride. We designed, manufactured, and validated an optimised TMS coil and applied it to brain stimulation. Our simulations indicate that this coil requires less than half the power of a commercial figure-of-eight coil, with a 41% reduction due to the optimised winding geometry and a partial contribution due to our thinner coil former and reduced conductor height. With the optimised coil, the resting motor threshold of abductor pollicis brevis was reached with the capacitor voltage below 600 V and peak current below 3000 A. The described method allows designing practical TMS coils that have considerably higher efficiency than conventional figure-of-eight coils. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Realistic camera noise modeling with application to improved HDR synthesis

    Science.gov (United States)

    Goossens, Bart; Luong, Hiêp; Aelterman, Jan; Pižurica, Aleksandra; Philips, Wilfried

    2012-12-01

    Due to the ongoing miniaturization of digital camera sensors and the steady increase of the "number of megapixels", individual sensor elements of the camera become more sensitive to noise, even deteriorating the final image quality. To go around this problem, sophisticated processing algorithms in the devices, can help to maximally exploit the knowledge on the sensor characteristics (e.g., in terms of noise), and offer a better image reconstruction. Although a lot of research focuses on rather simplistic noise models, such as stationary additive white Gaussian noise, only limited attention has gone to more realistic digital camera noise models. In this article, we first present a digital camera noise model that takes several processing steps in the camera into account, such as sensor signal amplification, clipping, post-processing,.. We then apply this noise model to the reconstruction problem of high dynamic range (HDR) images from a small set of low dynamic range (LDR) exposures of a static scene. In literature, HDR reconstruction is mostly performed by computing a weighted average, in which the weights are directly related to the observer pixel intensities of the LDR image. In this work, we derive a Bayesian probabilistic formulation of a weighting function that is near-optimal in the MSE sense (or SNR sense) of the reconstructed HDR image, by assuming exponentially distributed irradiance values. We define the weighting function as the probability that the observed pixel intensity is approximately unbiased. The weighting function can be directly computed based on the noise model parameters, which gives rise to different symmetric and asymmetric shapes when electronic noise or photon noise is dominant. We also explain how to deal with the case that some of the noise model parameters are unknown and explain how the camera response function can be estimated using the presented noise model. Finally, experimental results are provided to support our findings.

  5. Realistic modelling of observed seismic motion in complex sedimentary basins

    International Nuclear Information System (INIS)

    Faeh, D.; Panza, G.F.

    1994-03-01

    Three applications of a numerical technique are illustrated to model realistically the seismic ground motion for complex two-dimensional structures. First we consider a sedimentary basin in the Friuli region, and we model strong motion records from an aftershock of the 1976 earthquake. Then we simulate the ground motion caused in Rome by the 1915, Fucino (Italy) earthquake, and we compare our modelling with the damage distribution observed in the town. Finally we deal with the interpretation of ground motion recorded in Mexico City, as a consequence of earthquakes in the Mexican subduction zone. The synthetic signals explain the major characteristics (relative amplitudes, spectral amplification, frequency content) of the considered seismograms, and the space distribution of the available macroseismic data. For the sedimentary basin in the Friuli area, parametric studies demonstrate the relevant sensitivity of the computed ground motion to small changes in the subsurface topography of the sedimentary basin, and in the velocity and quality factor of the sediments. The total energy of ground motion, determined from our numerical simulation in Rome, is in very good agreement with the distribution of damage observed during the Fucino earthquake. For epicentral distances in the range 50km-100km, the source location and not only the local soil conditions control the local effects. For Mexico City, the observed ground motion can be explained as resonance effects and as excitation of local surface waves, and the theoretical and the observed maximum spectral amplifications are very similar. In general, our numerical simulations permit the estimate of the maximum and average spectral amplification for specific sites, i.e. are a very powerful tool for accurate micro-zonation. (author). 38 refs, 19 figs, 1 tab

  6. Realistic phantoms to characterize dosimetry in pediatric CT

    Energy Technology Data Exchange (ETDEWEB)

    Carver, Diana E.; Kost, Susan D.; Fraser, Nicholas D.; Pickens, David R.; Price, Ronald R.; Stabin, Michael G. [Vanderbilt University Medical Center, Department of Radiology and Radiological Sciences, Nashville, TN (United States); Segars, W.P. [Duke University, Carl E. Ravin Advanced Imaging Laboratories, Durham, NC (United States)

    2017-05-15

    The estimation of organ doses and effective doses for children receiving CT examinations is of high interest. Newer, more realistic anthropomorphic body models can provide information on individual organ doses and improved estimates of effective dose. Previously developed body models representing 50th-percentile individuals at reference ages (newborn, 1, 5, 10 and 15 years) were modified to represent 10th, 25th, 75th and 90th height percentiles for both genders and an expanded range of ages (3, 8 and 13 years). We calculated doses for 80 pediatric reference phantoms from simulated chest-abdomen-pelvis exams on a model of a Philips Brilliance 64 CT scanner. Individual organ and effective doses were normalized to dose-length product (DLP) and fit as a function of body diameter. We calculated organ and effective doses for 80 reference phantoms and plotted them against body diameter. The data were well fit with an exponential function. We found DLP-normalized organ dose to correlate strongly with body diameter (R{sup 2}>0.95 for most organs). Similarly, we found a very strong correlation with body diameter for DLP-normalized effective dose (R{sup 2}>0.99). Our results were compared to other studies and we found average agreement of approximately 10%. We provide organ and effective doses for a total of 80 reference phantoms representing normal-stature children ranging in age and body size. This information will be valuable in replacing the types of vendor-reported doses available. These data will also permit the recording and tracking of individual patient doses. Moreover, this comprehensive dose database will facilitate patient matching and the ability to predict patient-individualized dose prior to examination. (orig.)

  7. Realistic Goals and Processes for Future Space Astronomy Portfolio Planning

    Science.gov (United States)

    Morse, Jon

    2015-08-01

    It is generally recognized that international participation and coordination is highly valuable for maximizing the scientific impact of modern space science facilities, as well as for cost-sharing reasons. Indeed, all large space science missions, and most medium and small missions, are international, even if one country or space agency has a clear leadership role and bears most of the development costs. International coordination is a necessary aspect of future mission planning, but how that coordination is done remains debatable. I propose that the community's scientific vision is generally homogeneous enough to permit international coordination of decadal-scale strategic science goals. However, the timing and budget allocation/funding mechanisms of individual countries and/or space agencies are too disparate for effective long-term strategic portfolio planning via a single international process. Rather, I argue that coordinated space mission portfolio planning is a natural consequence of international collaboration on individual strategic missions. I review the process and outcomes of the U.S. 2010 decadal survey in astronomy & astrophysics from the perspective of a government official who helped craft the survey charter and transmitted guidance to the scientific community on behalf of a sponsoring agency (NASA), while continuing to manage the current portfolio that involved ongoing negotiations with other space agencies. I analyze the difficulties associated with projecting long-term budgets, obtaining realistic mission costs (including the additional cost burdens of international partnerships), and developing new (possibly transformational) technologies. Finally, I remark on the future role that privately funded space science missions can have in accomplishing international science community goals.

  8. Track-based event recognition in a realistic crowded environment

    Science.gov (United States)

    van Huis, Jasper R.; Bouma, Henri; Baan, Jan; Burghouts, Gertjan J.; Eendebak, Pieter T.; den Hollander, Richard J. M.; Dijk, Judith; van Rest, Jeroen H.

    2014-10-01

    Automatic detection of abnormal behavior in CCTV cameras is important to improve the security in crowded environments, such as shopping malls, airports and railway stations. This behavior can be characterized at different time scales, e.g., by small-scale subtle and obvious actions or by large-scale walking patterns and interactions between people. For example, pickpocketing can be recognized by the actual snatch (small scale), when he follows the victim, or when he interacts with an accomplice before and after the incident (longer time scale). This paper focusses on event recognition by detecting large-scale track-based patterns. Our event recognition method consists of several steps: pedestrian detection, object tracking, track-based feature computation and rule-based event classification. In the experiment, we focused on single track actions (walk, run, loiter, stop, turn) and track interactions (pass, meet, merge, split). The experiment includes a controlled setup, where 10 actors perform these actions. The method is also applied to all tracks that are generated in a crowded shopping mall in a selected time frame. The results show that most of the actions can be detected reliably (on average 90%) at a low false positive rate (1.1%), and that the interactions obtain lower detection rates (70% at 0.3% FP). This method may become one of the components that assists operators to find threatening behavior and enrich the selection of videos that are to be observed.

  9. Crossing Over from Attractive to Repulsive Interactions in a Tunneling Bosonic Josephson Junction.

    Science.gov (United States)

    Spagnolli, G; Semeghini, G; Masi, L; Ferioli, G; Trenkwalder, A; Coop, S; Landini, M; Pezzè, L; Modugno, G; Inguscio, M; Smerzi, A; Fattori, M

    2017-06-09

    We explore the interplay between tunneling and interatomic interactions in the dynamics of a bosonic Josephson junction. We tune the scattering length of an atomic ^{39}K Bose-Einstein condensate confined in a double-well trap to investigate regimes inaccessible to other superconducting or superfluid systems. In the limit of small-amplitude oscillations, we study the transition from Rabi to plasma oscillations by crossing over from attractive to repulsive interatomic interactions. We observe a critical slowing down in the oscillation frequency by increasing the strength of an attractive interaction up to the point of a quantum phase transition. With sufficiently large initial oscillation amplitude and repulsive interactions, the system enters the macroscopic quantum self-trapping regime, where we observe coherent undamped oscillations with a self-sustained average imbalance of the relative well population. The exquisite agreement between theory and experiments enables the observation of a broad range of many body coherent dynamical regimes driven by tunable tunneling energy, interactions and external forces, with applications spanning from atomtronics to quantum metrology.

  10. Realistic respiratory motion margins for external beam partial breast irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Conroy, Leigh; Quirk, Sarah [Department of Medical Physics, Tom Baker Cancer Centre, Calgary, Alberta T2N 4N2 (Canada); Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 1N4 (Canada); Smith, Wendy L., E-mail: wendy.smith@albertahealthservices.ca [Department of Medical Physics, Tom Baker Cancer Centre, Calgary, Alberta T2N 4N2 (Canada); Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 1N4 (Canada); Department of Oncology, University of Calgary, Calgary, Alberta T2N 1N4 (Canada)

    2015-09-15

    Purpose: Respiratory margins for partial breast irradiation (PBI) have been largely based on geometric observations, which may overestimate the margin required for dosimetric coverage. In this study, dosimetric population-based respiratory margins and margin formulas for external beam partial breast irradiation are determined. Methods: Volunteer respiratory data and anterior–posterior (AP) dose profiles from clinical treatment plans of 28 3D conformal radiotherapy (3DCRT) PBI patient plans were used to determine population-based respiratory margins. The peak-to-peak amplitudes (A) of realistic respiratory motion data from healthy volunteers were scaled from A = 1 to 10 mm to create respiratory motion probability density functions. Dose profiles were convolved with the respiratory probability density functions to produce blurred dose profiles accounting for respiratory motion. The required margins were found by measuring the distance between the simulated treatment and original dose profiles at the 95% isodose level. Results: The symmetric dosimetric respiratory margins to cover 90%, 95%, and 100% of the simulated treatment population were 1.5, 2, and 4 mm, respectively. With patient set up at end exhale, the required margins were larger in the anterior direction than the posterior. For respiratory amplitudes less than 5 mm, the population-based margins can be expressed as a fraction of the extent of respiratory motion. The derived formulas in the anterior/posterior directions for 90%, 95%, and 100% simulated population coverage were 0.45A/0.25A, 0.50A/0.30A, and 0.70A/0.40A. The differences in formulas for different population coverage criteria demonstrate that respiratory trace shape and baseline drift characteristics affect individual respiratory margins even for the same average peak-to-peak amplitude. Conclusions: A methodology for determining population-based respiratory margins using real respiratory motion patterns and dose profiles in the AP direction was

  11. Optimizing Wind And Hydropower Generation Within Realistic Reservoir Operating Policy

    Science.gov (United States)

    Magee, T. M.; Clement, M. A.; Zagona, E. A.

    2012-12-01

    Previous studies have evaluated the benefits of utilizing the flexibility of hydropower systems to balance the variability and uncertainty of wind generation. However, previous hydropower and wind coordination studies have simplified non-power constraints on reservoir systems. For example, some studies have only included hydropower constraints on minimum and maximum storage volumes and minimum and maximum plant discharges. The methodology presented here utilizes the pre-emptive linear goal programming optimization solver in RiverWare to model hydropower operations with a set of prioritized policy constraints and objectives based on realistic policies that govern the operation of actual hydropower systems, including licensing constraints, environmental constraints, water management and power objectives. This approach accounts for the fact that not all policy constraints are of equal importance. For example target environmental flow levels may not be satisfied if it would require violating license minimum or maximum storages (pool elevations), but environmental flow constraints will be satisfied before optimizing power generation. Additionally, this work not only models the economic value of energy from the combined hydropower and wind system, it also captures the economic value of ancillary services provided by the hydropower resources. It is recognized that the increased variability and uncertainty inherent with increased wind penetration levels requires an increase in ancillary services. In regions with liberalized markets for ancillary services, a significant portion of hydropower revenue can result from providing ancillary services. Thus, ancillary services should be accounted for when determining the total value of a hydropower system integrated with wind generation. This research shows that the end value of integrated hydropower and wind generation is dependent on a number of factors that can vary by location. Wind factors include wind penetration level

  12. Realistic respiratory motion margins for external beam partial breast irradiation

    International Nuclear Information System (INIS)

    Conroy, Leigh; Quirk, Sarah; Smith, Wendy L.

    2015-01-01

    Purpose: Respiratory margins for partial breast irradiation (PBI) have been largely based on geometric observations, which may overestimate the margin required for dosimetric coverage. In this study, dosimetric population-based respiratory margins and margin formulas for external beam partial breast irradiation are determined. Methods: Volunteer respiratory data and anterior–posterior (AP) dose profiles from clinical treatment plans of 28 3D conformal radiotherapy (3DCRT) PBI patient plans were used to determine population-based respiratory margins. The peak-to-peak amplitudes (A) of realistic respiratory motion data from healthy volunteers were scaled from A = 1 to 10 mm to create respiratory motion probability density functions. Dose profiles were convolved with the respiratory probability density functions to produce blurred dose profiles accounting for respiratory motion. The required margins were found by measuring the distance between the simulated treatment and original dose profiles at the 95% isodose level. Results: The symmetric dosimetric respiratory margins to cover 90%, 95%, and 100% of the simulated treatment population were 1.5, 2, and 4 mm, respectively. With patient set up at end exhale, the required margins were larger in the anterior direction than the posterior. For respiratory amplitudes less than 5 mm, the population-based margins can be expressed as a fraction of the extent of respiratory motion. The derived formulas in the anterior/posterior directions for 90%, 95%, and 100% simulated population coverage were 0.45A/0.25A, 0.50A/0.30A, and 0.70A/0.40A. The differences in formulas for different population coverage criteria demonstrate that respiratory trace shape and baseline drift characteristics affect individual respiratory margins even for the same average peak-to-peak amplitude. Conclusions: A methodology for determining population-based respiratory margins using real respiratory motion patterns and dose profiles in the AP direction was

  13. The relative greenhouse gas impacts of realistic dietary choices

    International Nuclear Information System (INIS)

    Berners-Lee, M.; Hoolohan, C.; Cammack, H.; Hewitt, C.N.

    2012-01-01

    The greenhouse gas (GHG) emissions embodied in 61 different categories of food are used, with information on the diet of different groups of the population (omnivorous, vegetarian and vegan), to calculate the embodied GHG emissions in different dietary scenarios. We calculate that the embodied GHG content of the current UK food supply is 7.4 kg CO 2 e person −1 day −1 , or 2.7 t CO 2 e person −1 y −1 . This gives total food-related GHG emissions of 167 Mt CO 2 e (1 Mt=10 6 metric tonnes; CO 2 e being the mass of CO 2 that would have the same global warming potential, when measured over 100 years, as a given mixture of greenhouse gases) for the entire UK population in 2009. This is 27% of total direct GHG emissions in the UK, or 19% of total GHG emissions from the UK, including those embodied in goods produced abroad. We calculate that potential GHG savings of 22% and 26% can be made by changing from the current UK-average diet to a vegetarian or vegan diet, respectively. Taking the average GHG saving from six vegetarian or vegan dietary scenarios compared with the current UK-average diet gives a potential national GHG saving of 40 Mt CO 2 e y −1 . This is equivalent to a 50% reduction in current exhaust pipe emissions from the entire UK passenger car fleet. Hence realistic choices about diet can make substantial differences to embodied GHG emissions. - Highlights: ► We calculate the greenhouse gas emissions embodied in different diets. ► The embodied GHG content of the current UK food supply is 7.4 kg CO 2 e person −1 day −1 . ► Changing to a vegetarian or vegan diet reduces GHG emissions by 22–26%. ► Changing to a vegetarian or vegan diet would reduce UK GHG emissions by 40 Mt CO 2 e y −1 .

  14. Texture and savoury taste influences on food intake in a realistic hot lunch time meal.

    Science.gov (United States)

    Forde, C G; van Kuijk, N; Thaler, T; de Graaf, C; Martin, N

    2013-01-01

    Previous studies with model foods have shown that softer textures lead to higher eating rates and higher ad libitum food intake and higher intensity of salt taste has been shown to result in a lower ad libitum food intake. These observations have yet to be replicated in the context of realistic solid hot meal components. The objective of the present study was to assess the effect of texture and taste on the ad libitum intake of a realistic hot lunchtime meal. The meals consisted of potatoes, carrots, steak and gravy varied according to a 2 (texture: mashed vs. whole) × 2 (taste: standard taste vs. strong taste) design. The texture dimension referred to mashed potatoes, mashed carrots and pieces of steak vs. whole boiled potatoes, whole boiled carrots and whole steak. The taste was varied by manipulating the taste intensity of the gravy to be either standard or high intensity savoury taste. The current study used a between groups, single course ad libitum design whereby subjects were recruited for a one off meal study, during which their food intake was measured. The four groups consisted of about 40 subjects (mashed, standard, n=37; mashed, savoury n=39; whole, standard n=40; and whole, savoury n=41) matched for age (average age=44.8 ± 5.3), gender (on average 19 males and 20 females), normal BMI (average 22.6 ± 1.7) and dietary restraint score (DEBQ score=1.74 ± 0.6). The results showed that the estimated means of the intake of the two mashed conditions was 563.2 ± 20.3g and intake of whole meal was 527.5 ± 20.0 g (p=0.23). The texture effect was significant in the higher savoury condition with an average of 91 g less food consumed in the solid-savoury meal than in the mashed-savoury meal. This effect was not replicated in the standard gravy condition, with no significant difference between solid and mashed textures. This was reflected in an interaction effect that was approaching significance (p=0.051). The estimated mean eating rate in the two mashed

  15. Mott Transition In Strongly Correlated Materials: Many-Body Methods And Realistic Materials Simulations

    Science.gov (United States)

    Lee, Tsung-Han

    Strongly correlated materials are a class of materials that cannot be properly described by the Density Functional Theory (DFT), which is a single-particle approximation to the original many-body electronic Hamiltonian. These systems contain d or f orbital electrons, i.e., transition metals, actinides, and lanthanides compounds, for which the electron-electron interaction (correlation) effects are too strong to be described by the single-particle approximation of DFT. Therefore, complementary many-body methods have been developed, at the model Hamiltonians level, to describe these strong correlation effects. Dynamical Mean Field Theory (DMFT) and Rotationally Invariant Slave-Boson (RISB) approaches are two successful methods that can capture the correlation effects for a broad interaction strength. However, these many-body methods, as applied to model Hamiltonians, treat the electronic structure of realistic materials in a phenomenological fashion, which only allow to describe their properties qualitatively. Consequently, the combination of DFT and many body methods, e.g., Local Density Approximation augmented by RISB and DMFT (LDA+RISB and LDA+DMFT), have been recently proposed to combine the advantages of both methods into a quantitative tool to analyze strongly correlated systems. In this dissertation, we studied the possible improvements of these approaches, and tested their accuracy on realistic materials. This dissertation is separated into two parts. In the first part, we studied the extension of DMFT and RISB in three directions. First, we extended DMFT framework to investigate the behavior of the domain wall structure in metal-Mott insulator coexistence regime by studying the unstable solution describing the domain wall. We found that this solution, differing qualitatively from both the metallic and the insulating solutions, displays an insulating-like behavior in resistivity while carrying a weak metallic character in its electronic structure. Second, we

  16. The Effect of Realistic Appearance of Virtual Characters in Immersive Environments - Does the Character's Personality Play a Role?

    Science.gov (United States)

    Zibrek, Katja; Kokkinara, Elena; Mcdonnell, Rachel

    2018-04-01

    Virtual characters that appear almost photo-realistic have been shown to induce negative responses from viewers in traditional media, such as film and video games. This effect, described as the uncanny valley, is the reason why realism is often avoided when the aim is to create an appealing virtual character. In Virtual Reality, there have been few attempts to investigate this phenomenon and the implications of rendering virtual characters with high levels of realism on user enjoyment. In this paper, we conducted a large-scale experiment on over one thousand members of the public in order to gather information on how virtual characters are perceived in interactive virtual reality games. We were particularly interested in whether different render styles (realistic, cartoon, etc.) would directly influence appeal, or if a character's personality was the most important indicator of appeal. We used a number of perceptual metrics such as subjective ratings, proximity, and attribution bias in order to test our hypothesis. Our main result shows that affinity towards virtual characters is a complex interaction between the character's appearance and personality, and that realism is in fact a positive choice for virtual characters in virtual reality.

  17. Analysis of Heterogeneous Networks with Dual Connectivity in a Realistic Urban Deployment

    DEFF Research Database (Denmark)

    Gerardino, Guillermo Andrés Pocovi; Barcos, Sonia; Wang, Hua

    2015-01-01

    the performance in this realistic layout. Due to the uneven load distribution observed in realistic deployments, DC is able to provide fast load balancing gains also at relatively high load - and not only at low load as typically observed in 3GPP scenarios. For the same reason, the proposed cell selection...

  18. Realist review and synthesis of retention studies for health workers in rural and remote areas

    NARCIS (Netherlands)

    Dieleman, M.A.; Kane, Sumit; Zwanikken, Prisca A C; Gerretsen, Barend

    2011-01-01

    This report uses a realist review, which is a theory-based method, to address the questions of “why” and “how” certain rural retention interventions work better in some contexts and fail in others. Through applying a realist perspective to the review of these retention studies, a greater

  19. Neutron star models with realistic high-density equations of state

    International Nuclear Information System (INIS)

    Malone, R.C.; Johnson, M.B.; Bethe, H.A.

    1975-01-01

    We calculate neutron star models using four realistic high-density models of the equation of state. We conclude that the maximum mass of a neutron star is unlikely to exceed 2 M/sub sun/. All of the realistic models are consistent with current estimates of the moment of inertia of the Crab pulsar

  20. Simulating the value of electric-vehicle-grid integration using a behaviourally realistic model

    Science.gov (United States)

    Wolinetz, Michael; Axsen, Jonn; Peters, Jotham; Crawford, Curran

    2018-02-01

    Vehicle-grid integration (VGI) uses the interaction between electric vehicles and the electrical grid to provide benefits that may include reducing the cost of using intermittent renwable electricity or providing a financial incentive for electric vehicle ownerhip. However, studies that estimate the value of VGI benefits have largely ignored how consumer behaviour will affect the magnitude of the impact. Here, we simulate the long-term impact of VGI using behaviourally realistic and empirically derived models of vehicle adoption and charging combined with an electricity system model. We focus on the case where a central entity manages the charging rate and timing for participating electric vehicles. VGI is found not to increase the adoption of electric vehicles, but does have a a small beneficial impact on electricity prices. By 2050, VGI reduces wholesale electricity prices by 0.6-0.7% (0.7 MWh-1, 2010 CAD) relative to an equivalent scenario without VGI. Excluding consumer behaviour from the analysis inflates the value of VGI.

  1. 3D Realistic Radiative Hydrodynamic Modeling of a Moderate-Mass Star: Effects of Rotation

    Science.gov (United States)

    Kitiashvili, Irina; Kosovichev, Alexander G.; Mansour, Nagi N.; Wray, Alan A.

    2018-01-01

    Recent progress in stellar observations opens new perspectives in understanding stellar evolution and structure. However, complex interactions in the turbulent radiating plasma together with effects of magnetic fields and rotation make inferences of stellar properties uncertain. The standard 1D mixing-length-based evolutionary models are not able to capture many physical processes of stellar interior dynamics, but they provide an initial approximation of the stellar structure that can be used to initialize 3D time-dependent radiative hydrodynamics simulations, based on first physical principles, that take into account the effects of turbulence, radiation, and others. In this presentation we will show simulation results from a 3D realistic modeling of an F-type main-sequence star with mass 1.47 Msun, in which the computational domain includes the upper layers of the radiation zone, the entire convection zone, and the photosphere. The simulation results provide new insight into the formation and properties of the convective overshoot region, the dynamics of the near-surface, highly turbulent layer, the structure and dynamics of granulation, and the excitation of acoustic and gravity oscillations. We will discuss the thermodynamic structure, oscillations, and effects of rotation on the dynamics of the star across these layers.

  2. SINDBAD: a realistic multi-purpose and scalable X-ray simulation tool for NDT applications

    International Nuclear Information System (INIS)

    Tabary, J.; Hugonnard, P.; Mathy, F.

    2007-01-01

    The X-ray radiographic simulation software SINDBAD, has been developed to help the design stage of radiographic systems or to evaluate the efficiency of image processing techniques, in both medical imaging and Non-Destructive Evaluation (NDE) industrial fields. This software can model any radiographic set-up, including the X-ray source, the beam interaction inside the object represented by its Computed Aided Design (CAD) model, and the imaging process in the detector. For each step of the virtual experimental bench, SINDBAD combines different modelling modules, accessed via Graphical User Interfaces (GUI), to provide realistic synthetic images. In this paper, we present an overview of all the functionalities which are available in SINDBAD, with a complete description of all the physics taken into account in models as well as the CAD and GUI facilities available in many computing platforms. We underline the different modules usable for different applications which make SINDBAD a multi-purposed and scalable X-ray simulation tool. (authors)

  3. Think Pair Share Using Realistic Mathematics Education Approach in Geometry Learning

    Science.gov (United States)

    Afthina, H.; Mardiyana; Pramudya, I.

    2017-09-01

    This research aims to determine the impact of mathematics learning applying Think Pair Share (TPS) using Realistic Mathematics Education (RME) viewed from mathematical-logical intelligence in geometry learning. Method that used in this research is quasi experimental research The result of this research shows that (1) mathematics achievement applying TPS using RME approach gives a better result than those applying direct learning model; (2) students with high mathematical-logical intelligence can reach a better mathematics achievement than those with average and low one, whereas students with average mathematical-logical intelligence can reach a better achievement than those with low one; (3) there is no interaction between learning model and the level of students’ mathematical-logical intelligence in giving a mathematics achievement. The impact of this research is that TPS model using RME approach can be applied in mathematics learning so that students can learn more actively and understand the material more, and mathematics learning become more meaningful. On the other hand, internal factors of students must become a consideration toward the success of students’ mathematical achievement particularly in geometry material.

  4. A realistic pattern of fermion masses from a five-dimensional SO(10) model

    International Nuclear Information System (INIS)

    Feruglio, Ferruccio; Patel, Ketan M.; Vicino, Denise

    2015-01-01

    We provide a unified description of fermion masses and mixing angles in the framework of a supersymmetric grand unified SO(10) model with anarchic Yukawa couplings of order unity. The space-time is five dimensional and the extra flat spatial dimension is compactified on the orbifold S 1 /(Z 2 ×Z 2 ′ ), leading to Pati-Salam gauge symmetry on the boundary where Yukawa interactions are localised. The gauge symmetry breaking is completed by means of a rather economic scalar sector, avoiding the doublet-triplet splitting problem. The matter fields live in the bulk and their massless modes get exponential profiles, which naturally explain the mass hierarchy of the different fermion generations. Quarks and leptons properties are naturally reproduced by a mechanism, first proposed by Kitano and Li, that lifts the SO(10) degeneracy of bulk masses in terms of a single parameter. The model provides a realistic pattern of fermion masses and mixing angles for large values of tan β. It favours normally ordered neutrino mass spectrum with the lightest neutrino mass below 0.01 eV and no preference for leptonic CP violating phases. The right handed neutrino mass spectrum is very hierarchical and does not allow for thermal leptogenesis. We analyse several variants of the basic framework and find that the results concerning the fermion spectrum are remarkably stable.

  5. More-Realistic Digital Modeling of a Human Body

    Science.gov (United States)

    Rogge, Renee

    2010-01-01

    A MATLAB computer program has been written to enable improved (relative to an older program) modeling of a human body for purposes of designing space suits and other hardware with which an astronaut must interact. The older program implements a kinematic model based on traditional anthropometric measurements that do provide important volume and surface information. The present program generates a three-dimensional (3D) whole-body model from 3D body-scan data. The program utilizes thin-plate spline theory to reposition the model without need for additional scans.

  6. Realistic generation of natural phenomena based on video synthesis

    Science.gov (United States)

    Wang, Changbo; Quan, Hongyan; Li, Chenhui; Xiao, Zhao; Chen, Xiao; Li, Peng; Shen, Liuwei

    2009-10-01

    Research on the generation of natural phenomena has many applications in special effects of movie, battlefield simulation and virtual reality, etc. Based on video synthesis technique, a new approach is proposed for the synthesis of natural phenomena, including flowing water and fire flame. From the fire and flow video, the seamless video of arbitrary length is generated. Then, the interaction between wind and fire flame is achieved through the skeleton of flame. Later, the flow is also synthesized by extending the video textures using an edge resample method. Finally, we can integrate the synthesized natural phenomena into a virtual scene.

  7. Gender equity programmes in academic medicine: a realist evaluation approach to Athena SWAN processes.

    Science.gov (United States)

    Caffrey, Louise; Wyatt, David; Fudge, Nina; Mattingley, Helena; Williamson, Catherine; McKevitt, Christopher

    2016-09-08

    Gender inequity has persisted in academic medicine. Yet equity is vital for countries to achieve their full potential in terms of translational research and patient benefit. This study sought to understand how the gender equity programme, Athena SWAN, can be enabled and constrained by interactions between the programme and the context it is implemented into, and whether these interactions might produce unintended consequences. Multimethod qualitative case studies using a realist evaluation approach. 5 departments from a university medical school hosting a Translational Research Organisation. 25 hours of observations of gender equality committee meetings, 16 in-depth interviews with Heads of Departments, Committee Leads and key personnel involved in the initiative. 4 focus groups with 15 postdoctoral researchers, lecturers and senior lecturers. The implementation of Athena SWAN principles was reported to have created social space to address gender inequity and to have highlighted problematic practices to staff. However, a number of factors reduced the programme's potential to impact gender inequity. Gender inequity was reproduced in the programme's enactment as female staff was undertaking a disproportionate amount of Athena SWAN work, with potential negative impacts on individual women's career progression. Early career researchers experienced problems accessing Athena SWAN initiatives. Furthermore, the impact of the programme was perceived to be undermined by wider institutional practices, national policies and societal norms, which are beyond the programme's remit. Gender equity programmes have the potential to address inequity. However, paradoxically, they can also unintentionally reproduce and reinforce gender inequity through their enactment. Potential programme impacts may be undermined by barriers to staff availing of career development and training initiatives, and by wider institutional practices, national policies and societal norms. Published by the

  8. Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations

    Science.gov (United States)

    Jain, Vaibhav; Maiti, Prabal K.; Bharatam, Prasad V.

    2016-09-01

    Computational studies performed on dendrimer-drug complexes usually consider 1:1 stoichiometry, which is far from reality, since in experiments more number of drug molecules get encapsulated inside a dendrimer. In the present study, molecular dynamic (MD) simulations were implemented to characterize the more realistic molecular models of dendrimer-drug complexes (1:n stoichiometry) in order to understand the effect of high drug loading on the structural properties and also to unveil the atomistic level details. For this purpose, possible inclusion complexes of model drug Nateglinide (Ntg) (antidiabetic, belongs to Biopharmaceutics Classification System class II) with amine- and acetyl-terminated G4 poly(amidoamine) (G4 PAMAM(NH2) and G4 PAMAM(Ac)) dendrimers at neutral and low pH conditions are explored in this work. MD simulation analysis on dendrimer-drug complexes revealed that the drug encapsulation efficiency of G4 PAMAM(NH2) and G4 PAMAM(Ac) dendrimers at neutral pH was 6 and 5, respectively, while at low pH it was 12 and 13, respectively. Center-of-mass distance analysis showed that most of the drug molecules are located in the interior hydrophobic pockets of G4 PAMAM(NH2) at both the pH; while in the case of G4 PAMAM(Ac), most of them are distributed near to the surface at neutral pH and in the interior hydrophobic pockets at low pH. Structural properties such as radius of gyration, shape, radial density distribution, and solvent accessible surface area of dendrimer-drug complexes were also assessed and compared with that of the drug unloaded dendrimers. Further, binding energy calculations using molecular mechanics Poisson-Boltzmann surface area approach revealed that the location of drug molecules in the dendrimer is not the decisive factor for the higher and lower binding affinity of the complex, but the charged state of dendrimer and drug, intermolecular interactions, pH-induced conformational changes, and surface groups of dendrimer do play an

  9. Simulation of photon transport in a realistic human body model

    International Nuclear Information System (INIS)

    Baccarne, V.; Turzo, A.; Bizais, Y.; Farine, M.

    1997-01-01

    A Monte-Carlo photon transport code to simulate scintigraphy is developed. The scintigraphy consists of injecting a patient with a radioactive tracer (Tc, a 140 keV photon emitter) attached to a biologically active molecule. Complicated physical phenomena, photon interactions, occurring in between the radioactive source emission and the detection of the photon on the gamma-camera, require an accurate description. All these phenomena are very sensitive to the characteristics of human tissues and we had to use segmented computerized tomography slices. A preliminary theoretical study of the physical characteristics (rather badly known) of the biological tissues resulted in a two family classification: soft and bone tissues. By devising a Monte-Carlo simulator a systematic investigation was carried out concerning the relative weight of different types of interaction taking place in the traversed tissue. The importance of bone tissues was evidenced in comparison with the soft tissues, as well as the instability of these phenomena as a function of the patient morphology. These information are crucial in the elaboration and validation of correction techniques applied to the diagnosis images of clinical examinations

  10. The Effect of Realistic Mathematics Education Approach on Students' Achievement And Attitudes Towards Mathematics

    Directory of Open Access Journals (Sweden)

    Effandi Zakaria

    2017-02-01

    Full Text Available This study was conducted to determine the effect of Realistic Mathematics Education Approach on mathematics achievement and student attitudes towards mathematics. This study also sought determine the relationship between student achievement and attitudes towards mathematics. This study used a quasi-experimental design conducted on 61 high school students at SMA Unggul Sigli. Students were divided into two groups, the treatment group $(n = 30$ namely, the Realistic Mathematics Approach group (PMR and the control group $(n = 31$ namely, the traditional group. This study was conducted for six weeks. The instruments used in this study were the achievement test and the attitudes towards mathematics questionnaires. Data were analyzed using SPSS. To determine the difference in mean achievement and attitudes between the two groups, data were analyzed using one-way ANOVA test. The result showed significant differences between the Realistic Mathematics Approach and the traditional approach in terms of achievement. The study showed no significant difference between the Realistic Mathematics Approach and the traditional approach in term of attitudes towards mathematics. It can be concluded that the use of realistic mathematics education approach enhanced students' mathematics achievement, but not attitudes towards mathematics. The Realistic Mathematics Education Approach encourage students to participate actively in the teaching and learning of mathematics. Thus, Realistic Mathematics Education Approach is an appropriate methods to improve the quality of teaching and learning process.

  11. Feasibility of BCI Control in a Realistic Smart Home Environment

    Science.gov (United States)

    Kosmyna, Nataliya; Tarpin-Bernard, Franck; Bonnefond, Nicolas; Rivet, Bertrand

    2016-01-01

    Smart homes have been an active area of research, however despite considerable investment, they are not yet a reality for end-users. Moreover, there are still accessibility challenges for the elderly or the disabled, two of the main potential targets for home automation. In this exploratory study we design a control mechanism for smart homes based on Brain Computer Interfaces (BCI) and apply it in the “Domus”1 smart home platform in order to evaluate the potential interest of users about BCIs at home. We enable users to control lighting, a TV set, a coffee machine and the shutters of the smart home. We evaluate the performance (accuracy, interaction time), usability and feasibility (USE questionnaire) on 12 healthy subjects and 2 disabled subjects. We find that healthy subjects achieve 77% task accuracy. However, disabled subjects achieved a better accuracy (81% compared to 77%). PMID:27616986

  12. Feasibility of BCI Control in a Realistic Smart Home Environment

    Directory of Open Access Journals (Sweden)

    Nataliya Kosmyna

    2016-08-01

    Full Text Available Smart homes have been an active area of research, however despite considerable investment, they are not yet a reality for end-users. Moreover, there are still accessibility challenges for the elderly or the disabled, two of the main potential targets for home automation. In this exploratory study we design a control mechanism for smart homes based on Brain Computer Interfaces (BCI and apply it in the Domus smart home platform in order to evaluate the potential interest of users about BCIs at home. We enable users to control lighting, a TV set, a coffee machine and the shutters of the smart home. We evaluate the performance (accuracy, interaction time, usability and feasibility (USE questionnaire on 12 healthy subjects and 2 disabled subjects. We find that healthy subjects achieve 77% task accuracy. However, disabled subjects achieved a better accuracy (81% compared to 77%.

  13. Feasibility of BCI Control in a Realistic Smart Home Environment.

    Science.gov (United States)

    Kosmyna, Nataliya; Tarpin-Bernard, Franck; Bonnefond, Nicolas; Rivet, Bertrand

    2016-01-01

    Smart homes have been an active area of research, however despite considerable investment, they are not yet a reality for end-users. Moreover, there are still accessibility challenges for the elderly or the disabled, two of the main potential targets for home automation. In this exploratory study we design a control mechanism for smart homes based on Brain Computer Interfaces (BCI) and apply it in the "Domus" smart home platform in order to evaluate the potential interest of users about BCIs at home. We enable users to control lighting, a TV set, a coffee machine and the shutters of the smart home. We evaluate the performance (accuracy, interaction time), usability and feasibility (USE questionnaire) on 12 healthy subjects and 2 disabled subjects. We find that healthy subjects achieve 77% task accuracy. However, disabled subjects achieved a better accuracy (81% compared to 77%).

  14. Sampling Realistic Protein Conformations Using Local Structural Bias

    DEFF Research Database (Denmark)

    Hamelryck, Thomas Wim; Kent, John T.; Krogh, A.

    2006-01-01

    The prediction of protein structure from sequence remains a major unsolved problem in biology. The most successful protein structure prediction methods make use of a divide-and-conquer strategy to attack the problem: a conformational sampling method generates plausible candidate structures, which...... are subsequently accepted or rejected using an energy function. Conceptually, this often corresponds to separating local structural bias from the long-range interactions that stabilize the compact, native state. However, sampling protein conformations that are compatible with the local structural bias encoded...... in a given protein sequence is a long-standing open problem, especially in continuous space. We describe an elegant and mathematically rigorous method to do this, and show that it readily generates native-like protein conformations simply by enforcing compactness. Our results have far-reaching implications...

  15. DC electrophoresis and viscosity of realistic salt-free concentrated suspensions: non-equilibrium dissociation-association processes.

    Science.gov (United States)

    Ruiz-Reina, Emilio; Carrique, Félix; Lechuga, Luis

    2014-03-01

    Most of the suspensions usually found in industrial applications are concentrated, aqueous and in contact with the atmospheric CO2. The case of suspensions with a high concentration of added salt is relatively well understood and has been considered in many studies. In this work we are concerned with the case of concentrated suspensions that have no ions different than: (1) those stemming from the charged colloidal particles (the added counterions, that counterbalance their surface charge); (2) the H(+) and OH(-) ions from water dissociation, and (3) the ions generated by the atmospheric CO2 contamination. We call this kind of systems "realistic salt-free suspensions". We show some theoretical results about the electrophoretic mobility of a colloidal particle and the electroviscous effect of realistic salt-free concentrated suspensions. The theoretical framework is based on a cell model that accounts for particle-particle interactions in concentrated suspensions, which has been successfully applied to many different phenomena in concentrated suspensions. On the other hand, the water dissociation and CO2 contamination can be described following two different levels of approximation: (a) by local equilibrium mass-action equations, because it is supposed that the reactions are so fast that chemical equilibrium is attained everywhere in the suspension, or (b) by non-equilibrium dissociation-association kinetic equations, because it is considered that some reactions are not rapid enough to ensure local chemical equilibrium. Both approaches give rise to different results in the range from dilute to semidilute suspensions, causing possible discrepancies when comparing standard theories and experiments concerning transport properties of realistic salt-free suspensions. Copyright © 2013 Elsevier Inc. All rights reserved.

  16. Using the realist perspective to link theory from qualitative evidence synthesis to quantitative studies: Broadening the matrix approach.

    Science.gov (United States)

    van Grootel, Leonie; van Wesel, Floryt; O'Mara-Eves, Alison; Thomas, James; Hox, Joop; Boeije, Hennie

    2017-09-01

    This study describes an approach for the use of a specific type of qualitative evidence synthesis in the matrix approach, a mixed studies reviewing method. The matrix approach compares quantitative and qualitative data on the review level by juxtaposing concrete recommendations from the qualitative evidence synthesis against interventions in primary quantitative studies. However, types of qualitative evidence syntheses that are associated with theory building generate theoretical models instead of recommendations. Therefore, the output from these types of qualitative evidence syntheses cannot directly be used for the matrix approach but requires transformation. This approach allows for the transformation of these types of output. The approach enables the inference of moderation effects instead of direct effects from the theoretical model developed in a qualitative evidence synthesis. Recommendations for practice are formulated on the basis of interactional relations inferred from the qualitative evidence synthesis. In doing so, we apply the realist perspective to model variables from the qualitative evidence synthesis according to the context-mechanism-outcome configuration. A worked example shows that it is possible to identify recommendations from a theory-building qualitative evidence synthesis using the realist perspective. We created subsets of the interventions from primary quantitative studies based on whether they matched the recommendations or not and compared the weighted mean effect sizes of the subsets. The comparison shows a slight difference in effect sizes between the groups of studies. The study concludes that the approach enhances the applicability of the matrix approach. Copyright © 2017 John Wiley & Sons, Ltd.

  17. Realistic Avatar Eye and Head Animation Using a Neurobiological Model of Visual Attention

    National Research Council Canada - National Science Library

    Itti, L; Dhavale, N; Pighin, F

    2003-01-01

    We describe a neurobiological model of visual attention and eye/head movements in primates, and its application to the automatic animation of a realistic virtual human head watching an unconstrained...

  18. The effects of presenting multidigit mathematics problems in a realistic context on sixth graders' problem solving

    NARCIS (Netherlands)

    Hickendorff, M.

    2013-01-01

    Mathematics education and assessments increasingly involve arithmetic problems presented in context: a realistic situation that requires mathematical modeling. This study assessed the effects of such typical school mathematics contexts on two aspects of problem solving: performance and strategy use.

  19. Realistic edge field model code REFC for designing and study of isochronous cyclotron

    International Nuclear Information System (INIS)

    Ismail, M.

    1989-01-01

    The focussing properties and the requirements for isochronism in cyclotron magnet configuration are well-known in hard edge field model. The fact that they quite often change considerably in realistic field can be attributed mainly to the influence of the edge field. A solution to this problem requires a field model which allows a simple construction of equilibrium orbit and yield simple formulae. This can be achieved by using a fitted realistic edge field (Hudson et al 1975) in the region of the pole edge and such a field model is therefore called a realistic edge field model. A code REFC based on realistic edge field model has been developed to design the cyclotron sectors and the code FIELDER has been used to study the beam properties. In this report REFC code has been described along with some relevant explaination of the FIELDER code. (author). 11 refs., 6 figs

  20. Neutron dosemeter responses in workplace fields and the implications of using realistic neutron calibration fields

    International Nuclear Information System (INIS)

    Thomas, D.J.; Horwood, N.; Taylor, G.C.

    1999-01-01

    The use of realistic neutron calibration fields to overcome some of the problems associated with the response functions of presently available dosemeters, both area survey instruments and personal dosemeters, has been investigated. Realistic calibration fields have spectra which, compared to conventional radionuclide source based calibration fields, more closely match those of the workplace fields in which dosemeters are used. Monte Carlo simulations were performed to identify laboratory systems which would produce appropriate workplace-like calibration fields. A detailed analysis was then undertaken of the predicted under- and over-responses of dosemeters in a wide selection of measured workplace field spectra assuming calibration in a selection of calibration fields. These included both conventional radionuclide source calibration fields, and also several proposed realistic calibration fields. The present state of the art for dosemeter performance, and the possibilities of improving accuracy by using realistic calibration fields are both presented. (author)

  1. Reinventing Sex: The Construction of Realistic Definitions of Sex and Gender.

    Science.gov (United States)

    Small, Chanley M.

    1998-01-01

    Presents a set of criteria for constructing a fair and realistic understanding of sex. Recognizes the impact that science can have on social policies and values and recommends that the definitions of sex and gender be carefully crafted. (DDR)

  2. Development of Realistic Head Models for Electromagnetic Source Imaging of the Human Brain

    National Research Council Canada - National Science Library

    Akalin, Z

    2001-01-01

    In this work, a methodology is developed to solve the forward problem of electromagnetic source imaging using realistic head models, For this purpose, first segmentation of the 3 dimensional MR head...

  3. Book Review: A Liberal Actor in a Realist World the European Union ...

    African Journals Online (AJOL)

    Abstract. Book Title: A Liberal Actor in a Realist World the European Union Regulatory State and the Global Political Economy of Energy. Book Author: Andreas Goldthau & Nick Sitter. Oxford University Press Oxford 2015. ISBN 9780198719595 ...

  4. Development of Realistic Head Models for Electromagnetic Source Imaging of the Human Brain

    National Research Council Canada - National Science Library

    Akalin, Z

    2001-01-01

    ... images is performed Then triangular, quadratic meshes are formed for the interfaces of the tissues, Thus, realistic meshes, representing scalp, skull, CSF, brain and eye tissues, are formed, At least...

  5. Computational investigation of nonlinear microwave tomography on anatomically realistic breast phantoms

    DEFF Research Database (Denmark)

    Jensen, P. D.; Rubæk, Tonny; Mohr, J. J.

    2013-01-01

    The performance of a nonlinear microwave tomography algorithm is tested using simulated data from anatomically realistic breast phantoms. These tests include several different anatomically correct breast models from the University of Wisconsin-Madison repository with and without tumors inserted....

  6. Using realist review to inform intervention development: methodological illustration and conceptual platform for collaborative care in offender mental health.

    Science.gov (United States)

    Pearson, M; Brand, S L; Quinn, C; Shaw, J; Maguire, M; Michie, S; Briscoe, S; Lennox, C; Stirzaker, A; Kirkpatrick, T; Byng, R

    2015-09-28

    This paper reports how we used a realist review, as part of a wider project to improve collaborative mental health care for prisoners with common mental health problems, to develop a conceptual platform. The importance of offenders gaining support for their mental health, and the need for practitioners across the health service, the criminal justice system, and the third sector to work together to achieve this is recognised internationally. However, the literature does not provide coherent analyses of how these ambitions can be achieved. This paper demonstrates how a realist review can be applied to inform complex intervention development that spans different locations, organisations, professions, and care sectors. We applied and developed a realist review for the purposes of intervention development, using a three-stage process. (1) An iterative database search strategy (extending beyond criminal justice and offender health) and groups of academics, practitioners, and people with lived experience were used to identify explanatory accounts (n = 347). (2) From these accounts, we developed consolidated explanatory accounts (n = 75). (3) The identified interactions between practitioners and offenders (within their organisational, social, and cultural contexts) were specified in a conceptual platform. We also specify, step by step, how these explanatory accounts were documented, consolidated, and built into a conceptual platform. This addresses an important methodological gap for social scientists and intervention developers about how to develop and articulate programme and implementation theory underpinning complex interventions. An integrated person-centred system is proposed to improve collaborative mental health care for offenders with common mental health problems (near to and after release) by achieving consistency between the goals of different sectors and practitioners, enabling practitioners to apply scientific and experiential knowledge in working

  7. DMTO: a realistic ontology for standard diabetes mellitus treatment.

    Science.gov (United States)

    El-Sappagh, Shaker; Kwak, Daehan; Ali, Farman; Kwak, Kyung-Sup

    2018-02-06

    Treatment of type 2 diabetes mellitus (T2DM) is a complex problem. A clinical decision support system (CDSS) based on massive and distributed electronic health record data can facilitate the automation of this process and enhance its accuracy. The most important component of any CDSS is its knowledge base. This knowledge base can be formulated using ontologies. The formal description logic of ontology supports the inference of hidden knowledge. Building a complete, coherent, consistent, interoperable, and sharable ontology is a challenge. This paper introduces the first version of the newly constructed Diabetes Mellitus Treatment Ontology (DMTO) as a basis for shared-semantics, domain-specific, standard, machine-readable, and interoperable knowledge relevant to T2DM treatment. It is a comprehensive ontology and provides the highest coverage and the most complete picture of coded knowledge about T2DM patients' current conditions, previous profiles, and T2DM-related aspects, including complications, symptoms, lab tests, interactions, treatment plan (TP) frameworks, and glucose-related diseases and medications. It adheres to the design principles recommended by the Open Biomedical Ontologies Foundry and is based on ontological realism that follows the principles of the Basic Formal Ontology and the Ontology for General Medical Science. DMTO is implemented under Protégé 5.0 in Web Ontology Language (OWL) 2 format and is publicly available through the National Center for Biomedical Ontology's BioPortal at http://bioportal.bioontology.org/ontologies/DMTO . The current version of DMTO includes more than 10,700 classes, 277 relations, 39,425 annotations, 214 semantic rules, and 62,974 axioms. We provide proof of concept for this approach to modeling TPs. The ontology is able to collect and analyze most features of T2DM as well as customize chronic TPs with the most appropriate drugs, foods, and physical exercises. DMTO is ready to be used as a knowledge base for

  8. The Effect of Realistic Mathematics Education Approach on Students' Achievement And Attitudes Towards Mathematics

    OpenAIRE

    Effandi Zakaria; Muzakkir Syamaun

    2017-01-01

    This study was conducted to determine the effect of Realistic Mathematics Education Approach on mathematics achievement and student attitudes towards mathematics. This study also sought determine the relationship between student achievement and attitudes towards mathematics. This study used a quasi-experimental design conducted on 61 high school students at SMA Unggul Sigli. Students were divided into two groups, the treatment group $(n = 30)$ namely, the Realistic Mathematics Approach group ...

  9. Fabrication of a set of realistic torso phantoms for calibration of transuranic nuclide lung counting facilities

    International Nuclear Information System (INIS)

    Griffith, R.V.; Anderson, A.L.; Sundbeck, C.W.; Alderson, S.W.

    1983-01-01

    A set of 16 tissue equivalent torso phantoms has been fabricated for use by major laboratories involved in counting transuranic nuclides in the lung. These phantoms, which have bone equivalent plastic rib cages, duplicate the performance of the DOE Realistic Phantom set. The new phantoms (and their successors) provide the user laboratories with a highly realistic calibration tool. Moreover, use of these phantoms will allow participating laboratories to intercompare calibration information, both on formal and informal bases. 3 refs., 2 figs

  10. Full scale demonstration of shotcrete sealing plug under realistic working conditions

    International Nuclear Information System (INIS)

    Barcena, Ignacio; Garcia-Sineriz, Jose-Luis

    2008-01-01

    Module No. 4 of the IP ESDRED aims at the demonstration of the technical feasibility, at an industrial scale, for the closure of deep geological repositories for the disposal of high activity wastes in compliance with requirements on operational safety, retrievability and monitoring. Both the construction and closure of a deep geological repository will require the use of big amounts (up to thousands of tons) of cementitious materials for the construction of auxiliary structures needed for the operation of the repositories, in particular temporary or permanent plugs. One main concern for the use of concrete in radioactive waste repositories comes from the potential chemical interaction with the disposal components, which can undergo physicochemical transformations and changes in their radionuclide confinement properties. The reduction of the pH of the concrete is a long-term safety issue to avoid this interaction. Another key issue addressed in relation to the feasibility of the construction of concrete sealing plugs in a real repository is the introduction of the shotcreting technique. This technique provides a very good contact between concrete and rock, filling all voids and holes, even at the roof part. In addition, a good quality shotcrete has a lower porosity and permeability than standard concrete, and can be easily reinforced using fibres if needed. Another practical advantage is that forms are not needed, and therefore the plug can be constructed very quickly, which is a critical factor in a real repository, in cases when a fast temporary or permanent closure of a gallery or drift is required. In terms of safety, shotcrete arms and robots make possible to perform this operation in a semi-automated mode, with the operator situated at some distance from the working face. Although the utilization and performance of standard shotcrete in conventional construction works is well known, there is no experience in either the workability or the performance of

  11. A computational framework for cortical microtubule dynamics in realistically shaped plant cells.

    Directory of Open Access Journals (Sweden)

    Bandan Chakrabortty

    2018-02-01

    Full Text Available Plant morphogenesis is strongly dependent on the directional growth and the subsequent oriented division of individual cells. It has been shown that the plant cortical microtubule array plays a key role in controlling both these processes. This ordered structure emerges as the collective result of stochastic interactions between large numbers of dynamic microtubules. To elucidate this complex self-organization process a number of analytical and computational approaches to study the dynamics of cortical microtubules have been proposed. To date, however, these models have been restricted to two dimensional planes or geometrically simple surfaces in three dimensions, which strongly limits their applicability as plant cells display a wide variety of shapes. This limitation is even more acute, as both local as well as global geometrical features of cells are expected to influence the overall organization of the array. Here we describe a framework for efficiently simulating microtubule dynamics on triangulated approximations of arbitrary three dimensional surfaces. This allows the study of microtubule array organization on realistic cell surfaces obtained by segmentation of microscopic images. We validate the framework against expected or known results for the spherical and cubical geometry. We then use it to systematically study the individual contributions of global geometry, cell-edge induced catastrophes and cell-face induced stability to array organization in a cuboidal geometry. Finally, we apply our framework to analyze the highly non-trivial geometry of leaf pavement cells of Arabidopsis thaliana, Nicotiana benthamiana and Hedera helix. We show that our simulations can predict multiple features of the microtubule array structure in these cells, revealing, among others, strong constraints on the orientation of division planes.

  12. Pre-registration interprofessional clinical education in the workplace: a realist review.

    Science.gov (United States)

    Kent, Fiona; Hayes, Jacinta; Glass, Sharon; Rees, Charlotte E

    2017-09-01

    The inclusion of interprofessional education opportunities in clinical placements for pre-registration learners has recently been proposed as a strategy to enhance graduates' skills in collaborative practice. A realist review was undertaken to ascertain the contexts, mechanisms and outcomes of formal interprofessional clinical workplace learning. Initial scoping was carried out, after which Ovid MEDLINE, CINAHL and EMBASE were searched from 2005 to April 2016 to identify formal interprofessional workplace educational interventions involving pre-registration learners. Papers reporting studies conducted in dedicated training wards were excluded, leaving a total of 30 papers to be included in the review. Several educational formats that combined students from medicine, nursing, pharmacy and allied health professions were identified. These included: the use of engagement by student teams with a real patient through interview as the basis for discussion and reflection; the use of case studies through which student teams work to promote discussion; structured workshops; ward rounds, and shadowing. Meaningful interprofessional student discussion and reflection comprised the mechanism by which the outcome of learners acquiring knowledge of the roles of other professions and teamwork skills was achieved. The mechanism of dialogue during an interaction with a real patient allowed the patient to provide his or her perspective and contributed to an awareness of the patient's perspective in health care practice. Medication- or safety-focused interprofessional tasks contributed to improved safety awareness. In the absence of trained facilitators or in the context of negative role-modelling, programmes were less successful. In the design of workplace education initiatives, curriculum decisions should take into consideration the contexts of the initiatives and the mechanisms for achieving the education-related outcomes of interest. © 2017 John Wiley & Sons Ltd and The Association

  13. A computational framework for cortical microtubule dynamics in realistically shaped plant cells

    KAUST Repository

    Chakrabortty, Bandan; Blilou, Ikram; Scheres, Ben; Mulder, Bela M.

    2018-01-01

    Plant morphogenesis is strongly dependent on the directional growth and the subsequent oriented division of individual cells. It has been shown that the plant cortical microtubule array plays a key role in controlling both these processes. This ordered structure emerges as the collective result of stochastic interactions between large numbers of dynamic microtubules. To elucidate this complex self-organization process a number of analytical and computational approaches to study the dynamics of cortical microtubules have been proposed. To date, however, these models have been restricted to two dimensional planes or geometrically simple surfaces in three dimensions, which strongly limits their applicability as plant cells display a wide variety of shapes. This limitation is even more acute, as both local as well as global geometrical features of cells are expected to influence the overall organization of the array. Here we describe a framework for efficiently simulating microtubule dynamics on triangulated approximations of arbitrary three dimensional surfaces. This allows the study of microtubule array organization on realistic cell surfaces obtained by segmentation of microscopic images. We validate the framework against expected or known results for the spherical and cubical geometry. We then use it to systematically study the individual contributions of global geometry, cell-edge induced catastrophes and cell-face induced stability to array organization in a cuboidal geometry. Finally, we apply our framework to analyze the highly non-trivial geometry of leaf pavement cells of Arabidopsis thaliana, Nicotiana benthamiana and Hedera helix. We show that our simulations can predict multiple features of the microtubule array structure in these cells, revealing, among others, strong constraints on the orientation of division planes.

  14. Electromagnetic field effect simulation over a realistic pixel ed phantom human's brain

    International Nuclear Information System (INIS)

    Rojas, R.; Calderon, J. A.; Rivera, T.; Azorin, J.

    2012-10-01

    The exposition to different types of electromagnetic radiations can produce damages and injures on the people's tissues. The scientist, spend time and resources studying the effects of electromagnetic fields over the organs. Particularly in medical areas, the specialist in imaging methodologies and radiological treatment, are very worried about no injure there patient. Determination of matter radiation interaction, can be experimental or theoretical is not an easy task anyway. At first case, is not possible make measures inside the patient, then the experimental procedure consist in make measures in human's dummy, however, is not possible see deformations of electromagnetic fields due the organs presence. In the second case, is necessary solve, the Maxwell's equations with the electromagnetic field, crossing a lot of organs and tissues with different electric and magnetic properties each one. One alternative for theoretical solution, is make a computational simulation, however, this option, require an enormous quantity of memory and large computational times. Then, the most simulations are making in 2 dimensional or in 3 dimensional although using human models approximations, build ed with basic geometrical figures, like spheres, cylinders, ellipsoids, etc. Obviously this models just lets obtain a coarse solution of the actually situation. In this work, we propose a novel methodology to build a realistic pixel ed phantom of human's organs, and solve the Maxwell's equations over this models, evidently, the solutions are more approximated to the real behaviour. Additionally, there models results optimized when they are discretized and the finite element method is used to calculate the electromagnetic field and the induced currents. (Author)

  15. Supporting international medical graduates' transition to their host-country: realist synthesis.

    Science.gov (United States)

    Kehoe, Amelia; McLachlan, John; Metcalf, Jane; Forrest, Simon; Carter, Madeline; Illing, Jan

    2016-10-01

    Many health services and systems rely on the contribution of international medical graduates (IMGs) to the workforce. However, concern has grown around their regulation and professional practice. There is a need, in the absence of strong evidence and a robust theoretical base, for a deeper understanding of the efficacy of interventions used to support IMGs' transition to their host countries. This study seeks to explore and synthesise evidence relating to interventions developed for IMGs. It aims to provide educators and policy makers with an understanding of how interventions should be developed to support IMGs in their transition to the workplace, particularly looking to identify how and why they are effective. The realist synthesis involved an initial systematic search of the literature for the period January 1990 to April 2015. Secondary searches were conducted throughout the review in order to inform and test the developing programme theory. The context, mechanism and outcome data were extracted from all sources meeting the inclusion criteria. Fourteen case studies were included to further aid theory refinement. Sixty-two articles were identified, describing diverse interventions of varying intensity. A further 26 articles were identified through a secondary search. The findings illustrate that, alongside a developed programme, ongoing support and cultural awareness at organisational and training levels are crucial. Individual differences must also be taken into consideration. This will ensure that IMGs engage in transformative learning, increase their levels of self-efficacy and cultural health capital, and reduce feelings of stress and anxiety. These factors will have an impact on work, interactions and cultural adjustment. Organisational, training and individual contexts all play a role in IMGs' adjustment during the transition process. Establishing ongoing support is critical. A list of recommendations for implementation is given. © 2016 The Authors

  16. A computational framework for cortical microtubule dynamics in realistically shaped plant cells

    KAUST Repository

    Chakrabortty, Bandan

    2018-02-02

    Plant morphogenesis is strongly dependent on the directional growth and the subsequent oriented division of individual cells. It has been shown that the plant cortical microtubule array plays a key role in controlling both these processes. This ordered structure emerges as the collective result of stochastic interactions between large numbers of dynamic microtubules. To elucidate this complex self-organization process a number of analytical and computational approaches to study the dynamics of cortical microtubules have been proposed. To date, however, these models have been restricted to two dimensional planes or geometrically simple surfaces in three dimensions, which strongly limits their applicability as plant cells display a wide variety of shapes. This limitation is even more acute, as both local as well as global geometrical features of cells are expected to influence the overall organization of the array. Here we describe a framework for efficiently simulating microtubule dynamics on triangulated approximations of arbitrary three dimensional surfaces. This allows the study of microtubule array organization on realistic cell surfaces obtained by segmentation of microscopic images. We validate the framework against expected or known results for the spherical and cubical geometry. We then use it to systematically study the individual contributions of global geometry, cell-edge induced catastrophes and cell-face induced stability to array organization in a cuboidal geometry. Finally, we apply our framework to analyze the highly non-trivial geometry of leaf pavement cells of Arabidopsis thaliana, Nicotiana benthamiana and Hedera helix. We show that our simulations can predict multiple features of the microtubule array structure in these cells, revealing, among others, strong constraints on the orientation of division planes.

  17. Access to primary care for socioeconomically disadvantaged older people in rural areas: a realist review.

    Science.gov (United States)

    Ford, John A; Wong, Geoff; Jones, Andy P; Steel, Nick

    2016-05-17

    The aim of this review is to identify and understand the contexts that effect access to high-quality primary care for socioeconomically disadvantaged older people in rural areas. A realist review. MEDLINE and EMBASE electronic databases and grey literature (from inception to December 2014). Broad inclusion criteria were used to allow articles which were not specific, but might be relevant to the population of interest to be considered. Studies meeting the inclusion criteria were assessed for rigour and relevance and coded for concepts relating to context, mechanism or outcome. An overarching patient pathway was generated and used as the basis to explore contexts, causal mechanisms and outcomes. 162 articles were included. Most were from the USA or the UK, cross-sectional in design and presented subgroup data by age, rurality or deprivation. From these studies, a patient pathway was generated which included 7 steps (problem identified, decision to seek help, actively seek help, obtain appointment, get to appointment, primary care interaction and outcome). Important contexts were stoicism, education status, expectations of ageing, financial resources, understanding the healthcare system, access to suitable transport, capacity within practice, the booking system and experience of healthcare. Prominent causal mechanisms were health literacy, perceived convenience, patient empowerment and responsiveness of the practice. Socioeconomically disadvantaged older people in rural areas face personal, community and healthcare barriers that limit their access to primary care. Initiatives should be targeted at local contextual factors to help individuals recognise problems, feel welcome, navigate the healthcare system, book appointments easily, access appropriate transport and have sufficient time with professional staff to improve their experience of healthcare; all of which will require dedicated primary care resources. Published by the BMJ Publishing Group Limited. For

  18. Electromagnetic field effect simulation over a realistic pixel ed phantom human's brain

    Energy Technology Data Exchange (ETDEWEB)

    Rojas, R.; Calderon, J. A.; Rivera, T. [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Calz. Legaria No. 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico); Azorin, J., E-mail: rafaelturing@prodigy.net.mx [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico)

    2012-10-15

    The exposition to different types of electromagnetic radiations can produce damages and injures on the people's tissues. The scientist, spend time and resources studying the effects of electromagnetic fields over the organs. Particularly in medical areas, the specialist in imaging methodologies and radiological treatment, are very worried about no injure there patient. Determination of matter radiation interaction, can be experimental or theoretical is not an easy task anyway. At first case, is not possible make measures inside the patient, then the experimental procedure consist in make measures in human's dummy, however, is not possible see deformations of electromagnetic fields due the organs presence. In the second case, is necessary solve, the Maxwell's equations with the electromagnetic field, crossing a lot of organs and tissues with different electric and magnetic properties each one. One alternative for theoretical solution, is make a computational simulation, however, this option, require an enormous quantity of memory and large computational times. Then, the most simulations are making in 2 dimensional or in 3 dimensional although using human models approximations, build ed with basic geometrical figures, like spheres, cylinders, ellipsoids, etc. Obviously this models just lets obtain a coarse solution of the actually situation. In this work, we propose a novel methodology to build a realistic pixel ed phantom of human's organs, and solve the Maxwell's equations over this models, evidently, the solutions are more approximated to the real behaviour. Additionally, there models results optimized when they are discretized and the finite element method is used to calculate the electromagnetic field and the induced currents. (Author)

  19. Evolutionary approaches for the reverse-engineering of gene regulatory networks: A study on a biologically realistic dataset

    Directory of Open Access Journals (Sweden)

    Gidrol Xavier

    2008-02-01

    Full Text Available Abstract Background Inferring gene regulatory networks from data requires the development of algorithms devoted to structure extraction. When only static data are available, gene interactions may be modelled by a Bayesian Network (BN that represents the presence of direct interactions from regulators to regulees by conditional probability distributions. We used enhanced evolutionary algorithms to stochastically evolve a set of candidate BN structures and found the model that best fits data without prior knowledge. Results We proposed various evolutionary strategies suitable for the task and tested our choices using simulated data drawn from a given bio-realistic network of 35 nodes, the so-called insulin network, which has been used in the literature for benchmarking. We assessed the inferred models against this reference to obtain statistical performance results. We then compared performances of evolutionary algorithms using two kinds of recombination operators that operate at different scales in the graphs. We introduced a niching strategy that reinforces diversity through the population and avoided trapping of the algorithm in one local minimum in the early steps of learning. We show the limited effect of the mutation operator when niching is applied. Finally, we compared our best evolutionary approach with various well known learning algorithms (MCMC, K2, greedy search, TPDA, MMHC devoted to BN structure learning. Conclusion We studied the behaviour of an evolutionary approach enhanced by niching for the learning of gene regulatory networks with BN. We show that this approach outperforms classical structure learning methods in elucidating the original model. These results were obtained for the learning of a bio-realistic network and, more importantly, on various small datasets. This is a suitable approach for learning transcriptional regulatory networks from real datasets without prior knowledge.

  20. Molecular dynamics simulations of the interaction between 60 deg. dislocation and self-interstitial cluster in silicon

    International Nuclear Information System (INIS)

    Jing Yuhang; Meng Qingyuan; Zhao Wei

    2009-01-01

    Molecular dynamics simulations are performed to investigate the interaction between 60 deg. shuffle dislocation and tetrainterstitial (I 4 ) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the model to move the dislocation. Simulation results show that the I 4 cluster can bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I 4 cluster accelerate first, and then decelerate. The critical shear stress unpinning the 60 deg. dislocation from the I 4 cluster decreases as the temperature increases in the models.

  1. Realistic nurse-led policy implementation, optimization and evaluation: novel methodological exemplar.

    Science.gov (United States)

    Noyes, Jane; Lewis, Mary; Bennett, Virginia; Widdas, David; Brombley, Karen

    2014-01-01

    To report the first large-scale realistic nurse-led implementation, optimization and evaluation of a complex children's continuing-care policy. Health policies are increasingly complex, involve multiple Government departments and frequently fail to translate into better patient outcomes. Realist methods have not yet been adapted for policy implementation. Research methodology - Evaluation using theory-based realist methods for policy implementation. An expert group developed the policy and supporting tools. Implementation and evaluation design integrated diffusion of innovation theory with multiple case study and adapted realist principles. Practitioners in 12 English sites worked with Consultant Nurse implementers to manipulate the programme theory and logic of new decision-support tools and care pathway to optimize local implementation. Methods included key-stakeholder interviews, developing practical diffusion of innovation processes using key-opinion leaders and active facilitation strategies and a mini-community of practice. New and existing processes and outcomes were compared for 137 children during 2007-2008. Realist principles were successfully adapted to a shorter policy implementation and evaluation time frame. Important new implementation success factors included facilitated implementation that enabled 'real-time' manipulation of programme logic and local context to best-fit evolving theories of what worked; using local experiential opinion to change supporting tools to more realistically align with local context and what worked; and having sufficient existing local infrastructure to support implementation. Ten mechanisms explained implementation success and differences in outcomes between new and existing processes. Realistic policy implementation methods have advantages over top-down approaches, especially where clinical expertise is low and unlikely to diffuse innovations 'naturally' without facilitated implementation and local optimization. © 2013

  2. Implementing accountability for reasonableness framework at district level in Tanzania: a realist evaluation

    Directory of Open Access Journals (Sweden)

    Ndawi Benedict

    2011-02-01

    Full Text Available Abstract Background Despite the growing importance of the Accountability for Reasonableness (A4R framework in priority setting worldwide, there is still an inadequate understanding of the processes and mechanisms underlying its influence on legitimacy and fairness, as conceived and reflected in service management processes and outcomes. As a result, the ability to draw scientifically sound lessons for the application of the framework to services and interventions is limited. This paper evaluates the experiences of implementing the A4R approach in Mbarali District, Tanzania, in order to find out how the innovation was shaped, enabled, and constrained by the interaction between contexts, mechanisms and outcomes. Methods This study draws on the principles of realist evaluation -- a largely qualitative approach, chiefly concerned with testing and refining programme theories by exploring the complex interactions of contexts, mechanisms, and outcomes. Mixed methods were used in data collection, including individual interviews, non-participant observation, and document reviews. A thematic framework approach was adopted for the data analysis. Results The study found that while the A4R approach to priority setting was helpful in strengthening transparency, accountability, stakeholder engagement, and fairness, the efforts at integrating it into the current district health system were challenging. Participatory structures under the decentralisation framework, central government's call for partnership in district-level planning and priority setting, perceived needs of stakeholders, as well as active engagement between researchers and decision makers all facilitated the adoption and implementation of the innovation. In contrast, however, limited local autonomy, low level of public awareness, unreliable and untimely funding, inadequate accountability mechanisms, and limited local resources were the major contextual factors that hampered the full

  3. Effects of realistic topography on the ground motion of the Colombian Andes - A case study at the Aburrá Valley, Antioquia

    Science.gov (United States)

    Restrepo, Doriam; Bielak, Jacobo; Serrano, Ricardo; Gómez, Juan; Jaramillo, Juan

    2016-03-01

    This paper presents a set of deterministic 3-D ground motion simulations for the greater metropolitan area of Medellín in the Aburrá Valley, an earthquake-prone region of the Colombian Andes that exhibits moderate-to-strong topographic irregularities. We created the velocity model of the Aburrá Valley region (version 1) using the geological structures as a basis for determining the shear wave velocity. The irregular surficial topography is considered by means of a fictitious domain strategy. The simulations cover a 50 × 50 × 25 km3 volume, and four Mw = 5 rupture scenarios along a segment of the Romeral fault, a significant source of seismic activity in Colombia. In order to examine the sensitivity of ground motion to the irregular topography and the 3-D effects of the valley, each earthquake scenario was simulated with three different models: (i) realistic 3-D velocity structure plus realistic topography, (ii) realistic 3-D velocity structure without topography, and (iii) homogeneous half-space with realistic topography. Our results show how surface topography affects the ground response. In particular, our findings highlight the importance of the combined interaction between source-effects, source-directivity, focusing, soft-soil conditions, and 3-D topography. We provide quantitative evidence of this interaction and show that topographic amplification factors can be as high as 500 per cent at some locations. In other areas within the valley, the topographic effects result in relative reductions, but these lie in the 0-150 per cent range.

  4. A Low-cost System for Generating Near-realistic Virtual Actors

    Science.gov (United States)

    Afifi, Mahmoud; Hussain, Khaled F.; Ibrahim, Hosny M.; Omar, Nagwa M.

    2015-06-01

    Generating virtual actors is one of the most challenging fields in computer graphics. The reconstruction of a realistic virtual actor has been paid attention by the academic research and the film industry to generate human-like virtual actors. Many movies were acted by human-like virtual actors, where the audience cannot distinguish between real and virtual actors. The synthesis of realistic virtual actors is considered a complex process. Many techniques are used to generate a realistic virtual actor; however they usually require expensive hardware equipment. In this paper, a low-cost system that generates near-realistic virtual actors is presented. The facial features of the real actor are blended with a virtual head that is attached to the actor's body. Comparing with other techniques that generate virtual actors, the proposed system is considered a low-cost system that requires only one camera that records the scene without using any expensive hardware equipment. The results of our system show that the system generates good near-realistic virtual actors that can be used on many applications.

  5. Realistic Noise Assessment and Strain Analysis of Iranian Permanent GPS Stations

    Science.gov (United States)

    Razeghi, S. M.; Amiri Simkooei, A. A.; Sharifi, M. A.

    2012-04-01

    To assess noise characteristics of Iranian Permanent GPS Stations (IPGS), northwestern part of this network namely Azerbaijan Continuous GPS Station (ACGS), was selected. For a realistic noise assessment it is required to model all deterministic signals of the GPS time series by means of least squares harmonic estimation (LS-HE) and derive all periodic behavior of the series. After taking all deterministic signals into account, the least squares variance component estimation (LS-VCE) is used to obtain a realistic noise model (white noise plus flicker noise) of the ACGS. For this purpose, one needs simultaneous GPS time series for which a multivariate noise assessment is applied. Having determined realistic noise model, a realistic strain analysis of the network is obtained for which one relies on the finite element methods. Finite element is now considered to be a new functional model and the new stochastic model is given based on the multivariate noise assessment using LS-VCE. The deformation rates of the components along with their full covariance matries are input to the strain analysis. Further, the results are also provided using a pure white noise model. The normalized strains for these two models show that the strain parameters derived from a realistic noise model are less significant than those derived from the white model. This could be either due to the short time span of the time series used or due to the intrinsic behavior of the strain parameters in the ACGS. Longer time series are required to further elaborate this issue.

  6. Realistic diversity loss and variation in soil depth independently affect community-level plant nitrogen use.

    Science.gov (United States)

    Selmants, Paul C; Zavaleta, Erika S; Wolf, Amelia A

    2014-01-01

    Numerous experiments have demonstrated that diverse plant communities use nitrogen (N) more completely and efficiently, with implications for how species conservation efforts might influence N cycling and retention in terrestrial ecosystems. However, most such experiments have randomly manipulated species richness and minimized environmental heterogeneity, two design aspects that may reduce applicability to real ecosystems. Here we present results from an experiment directly comparing how realistic and randomized plant species losses affect plant N use across a gradient of soil depth in a native-dominated serpentine grassland in California. We found that the strength of the species richness effect on plant N use did not increase with soil depth in either the realistic or randomized species loss scenarios, indicating that the increased vertical heterogeneity conferred by deeper soils did not lead to greater complementarity among species in this ecosystem. Realistic species losses significantly reduced plant N uptake and altered N-use efficiency, while randomized species losses had no effect on plant N use. Increasing soil depth positively affected plant N uptake in both loss order scenarios but had a weaker effect on plant N use than did realistic species losses. Our results illustrate that realistic species losses can have functional consequences that differ distinctly from randomized losses, and that species diversity effects can be independent of and outweigh those of environmental heterogeneity on ecosystem functioning. Our findings also support the value of conservation efforts aimed at maintaining biodiversity to help buffer ecosystems against increasing anthropogenic N loading.

  7. Beyond the realist turn: a socio-material analysis of heart failure self-care.

    Science.gov (United States)

    McDougall, Allan; Kinsella, Elizabeth Anne; Goldszmidt, Mark; Harkness, Karen; Strachan, Patricia; Lingard, Lorelei

    2018-01-01

    For patients living with chronic illnesses, self-care has been linked with positive outcomes such as decreased hospitalisation, longer lifespan, and improved quality of life. However, despite calls for more and better self-care interventions, behaviour change trials have repeatedly fallen short on demonstrating effectiveness. The literature on heart failure (HF) stands as a case in point, and a growing body of HF studies advocate realist approaches to self-care research and policymaking. We label this trend the 'realist turn' in HF self-care. Realist evaluation and realist interventions emphasise that the relationship between self-care interventions and positive health outcomes is not fixed, but contingent on social context. This paper argues socio-materiality offers a productive framework to expand on the idea of social context in realist accounts of HF self-care. This study draws on 10 interviews as well as researcher reflections from a larger study exploring health care teams for patients with advanced HF. Leveraging insights from actor-network theory (ANT), this study provides two rich narratives about the contextual factors that influence HF self-care. These descriptions portray not self-care contexts but self-care assemblages, which we discuss in light of socio-materiality. © 2018 Foundation for the Sociology of Health & Illness.

  8. Does therapeutic writing help people with long-term conditions? Systematic review, realist synthesis and economic considerations.

    Science.gov (United States)

    Nyssen, Olga P; Taylor, Stephanie J C; Wong, Geoff; Steed, Elizabeth; Bourke, Liam; Lord, Joanne; Ross, Carol A; Hayman, Sheila; Field, Victoria; Higgins, Ailish; Greenhalgh, Trisha; Meads, Catherine

    2016-04-01

    or unreported quality. Overall, there was very little or no evidence of any benefit reported in the following conditions (number of studies): human immunodeficiency virus (six); breast cancer (eight); gynaecological and genitourinary cancers (five); mental health (five); asthma (four); psoriasis (three); and chronic pain (four). In inflammatory arthropathies (six) there was a reduction in disease severity [n = 191, standardised mean difference (SMD) -0.61, 95% confidence interval (CI) -0.96 to -0.26] in the short term on meta-analysis of four studies. For all other LTCs there were either no data, or sparse data with no or inconsistent, evidence of benefit. Meta-analyses conducted across all of the LTCs provided no evidence that unfacilitated emotional writing had any effect on depression at short- (n = 1563, SMD -0.06, 95% CI -0.29 to 0.17, substantial heterogeneity) or long-term (n = 778, SMD -0.04 95% CI -0.18 to 0.10, little heterogeneity) follow-up, or on anxiety, physiological or biomarker-based outcomes. One study reported costs, no studies reported cost-effectiveness and 12 studies reported resource use; and meta-analysis suggested reduced medication use but no impact on health centre visits. Estimated costs of intervention were low, but there was insufficient evidence to judge cost-effectiveness. Realist synthesis findings suggested that facilitated TW is a complex intervention and group interaction contributes to the perception of benefit. It was unclear from the available data who might benefit most from facilitated TW. Difficulties with developing realist synthesis programme theory meant that mechanisms operating during TW remain obscure. Overall, there is little evidence to support the therapeutic effectiveness or cost-effectiveness of unfacilitated expressive writing interventions in people with LTCs. Further research focused on facilitated TW in people with LTCs could be informative. This study is registered as PROSPERO CRD42012003343. The

  9. The Ontology of Interactive Kinds

    Directory of Open Access Journals (Sweden)

    Hauswald Rico

    2016-08-01

    Full Text Available This paper defends the notions of an interactive kind and a looping effect as features of social and human scientific classifications and aims to give a realist interpretation of them. I argue that interactive kinds can best be modeled as a special case of changing causal property cluster kinds. In order to do so, I develop a typology of looping effects according to the sort of entities that are affected, the main types of which are individual-looping, category-looping, and kind-looping. Based on this distinction, I identify interactive kinds as those causal property cluster kinds that are subjected to kind-looping.

  10. A realist evaluation of the management of a well-performing regional hospital in Ghana.

    Science.gov (United States)

    Marchal, Bruno; Dedzo, McDamien; Kegels, Guy

    2010-01-25

    Realist evaluation offers an interesting approach to evaluation of interventions in complex settings, but has been little applied in health care. We report on a realist case study of a well performing hospital in Ghana and show how such a realist evaluation design can help to overcome the limited external validity of a traditional case study. We developed a realist evaluation framework for hypothesis formulation, data collection, data analysis and synthesis of the findings. Focusing on the role of human resource management in hospital performance, we formulated our hypothesis around the high commitment management concept. Mixed methods were used in data collection, including individual and group interviews, observations and document reviews. We found that the human resource management approach (the actual intervention) included induction of new staff, training and personal development, good communication and information sharing, and decentralised decision-making. We identified 3 additional practices: ensuring optimal physical working conditions, access to top managers and managers' involvement on the work floor. Teamwork, recognition and trust emerged as key elements of the organisational climate. Interviewees reported high levels of organisational commitment. The analysis unearthed perceived organisational support and reciprocity as underlying mechanisms that link the management practices with commitment. Methodologically, we found that realist evaluation can be fruitfully used to develop detailed case studies that analyse how management interventions work and in which conditions. Analysing the links between intervention, mechanism and outcome increases the explaining power, while identification of essential context elements improves the usefulness of the findings for decision-makers in other settings (external validity). We also identified a number of practical difficulties and priorities for further methodological development. This case suggests that a well

  11. On the Realistic Stochastic Model of GPS Observables: Implementation and Performance

    Science.gov (United States)

    Zangeneh-Nejad, F.; Amiri-Simkooei, A. R.; Sharifi, M. A.; Asgari, J.

    2015-12-01

    High-precision GPS positioning requires a realistic stochastic model of observables. A realistic GPS stochastic model of observables should take into account different variances for different observation types, correlations among different observables, the satellite elevation dependence of observables precision, and the temporal correlation of observables. Least-squares variance component estimation (LS-VCE) is applied to GPS observables using the geometry-based observation model (GBOM). To model the satellite elevation dependent of GPS observables precision, an exponential model depending on the elevation angles of the satellites are also employed. Temporal correlation of the GPS observables is modelled by using a first-order autoregressive noise model. An important step in the high-precision GPS positioning is double difference integer ambiguity resolution (IAR). The fraction or percentage of success among a number of integer ambiguity fixing is called the success rate. A realistic estimation of the GNSS observables covariance matrix plays an important role in the IAR. We consider the ambiguity resolution success rate for two cases, namely a nominal and a realistic stochastic model of the GPS observables using two GPS data sets collected by the Trimble R8 receiver. The results confirm that applying a more realistic stochastic model can significantly improve the IAR success rate on individual frequencies, either on L1 or on L2. An improvement of 20% was achieved to the empirical success rate results. The results also indicate that introducing the realistic stochastic model leads to a larger standard deviation for the baseline components by a factor of about 2.6 on the data sets considered.

  12. A realist evaluation of the management of a well- performing regional hospital in Ghana

    Directory of Open Access Journals (Sweden)

    Kegels Guy

    2010-01-01

    Full Text Available Abstract Background Realist evaluation offers an interesting approach to evaluation of interventions in complex settings, but has been little applied in health care. We report on a realist case study of a well performing hospital in Ghana and show how such a realist evaluation design can help to overcome the limited external validity of a traditional case study. Methods We developed a realist evaluation framework for hypothesis formulation, data collection, data analysis and synthesis of the findings. Focusing on the role of human resource management in hospital performance, we formulated our hypothesis around the high commitment management concept. Mixed methods were used in data collection, including individual and group interviews, observations and document reviews. Results We found that the human resource management approach (the actual intervention included induction of new staff, training and personal development, good communication and information sharing, and decentralised decision-making. We identified 3 additional practices: ensuring optimal physical working conditions, access to top managers and managers' involvement on the work floor. Teamwork, recognition and trust emerged as key elements of the organisational climate. Interviewees reported high levels of organisational commitment. The analysis unearthed perceived organisational support and reciprocity as underlying mechanisms that link the management practices with commitment. Methodologically, we found that realist evaluation can be fruitfully used to develop detailed case studies that analyse how management interventions work and in which conditions. Analysing the links between intervention, mechanism and outcome increases the explaining power, while identification of essential context elements improves the usefulness of the findings for decision-makers in other settings (external validity. We also identified a number of practical difficulties and priorities for further

  13. State of atoms and interatomic interactions in complex perovskite-like oxides. Communication XVIII. Magnetic dilution in the LaCrO3-LaGaO3 system

    International Nuclear Information System (INIS)

    Chezhina, N.V.; Zolotukhina, N.V.; Bodritskaya, Eh.V.

    2005-01-01

    Solid solutions LaCr x Ga 1-x O 3 (0.01 ≤ x ≤ 0.10) were synthesized using the ceramic technique and characterized by X-ray powder diffraction and chemical analysis. Magnetic susceptibility of dilute solid solutions of lanthanum chromate in lanthanum gallate was studied in the temperature range 77-400 K. The calculated antiferromagnetic exchange parameter and distribution of chromium atoms over the diamagnetic matrix gave evidence for enhanced chromium aggregation and weakened magnetic exchange in lanthanum gallate compared to lanthanum aluminate [ru

  14. Framing the Real: Lefèbvre and NeoRealist Cinematic Space as Practice

    OpenAIRE

    Brancaleone, David

    2014-01-01

    In 1945 Roberto Rossellini's Neo-realist Rome, Open City set in motion an approach to cinema and its representation of real life – and by extension real spaces – that was to have international significance in film theory and practice. However, the re-use of the real spaces of the city, and elsewhere, as film sets in Neo-realist film offered (and offers) more than an influential aesthetic and set of cinematic theories. Through Neo-realism, it can be argued that we gain access to a cinematic re...

  15. Realistic-contact-induced enhancement of rectifying in carbon-nanotube/graphene-nanoribbon junctions

    International Nuclear Information System (INIS)

    Zhang, Xiang-Hua; Li, Xiao-Fei; Wang, Ling-Ling; Xu, Liang; Luo, Kai-Wu

    2014-01-01

    Carbon-nanotube/graphene-nanoribbon junctions were recently fabricated by the controllable etching of single-walled carbon-nanotubes [Wei et al., Nat. Commun. 4, 1374 (2013)] and their electronic transport properties were studied here. First principles results reveal that the transmission function of the junctions show a heavy dependence on the shape of contacts, but rectifying is an inherent property which is insensitive to the details of contacts. Interestingly, the rectifying ratio is largely enhanced in the junction with a realistic contact and the enhancement is insensitive to the details of contact structures. The stability of rectifying suggests a significant feasibility to manufacture realistic all-carbon rectifiers in nanoelectronics

  16. Active and realistic passive marijuana exposure tested by three immunoassays and GC/MS in urine

    Energy Technology Data Exchange (ETDEWEB)

    Mule, S.J.; Lomax, P.; Gross, S.J.

    1988-05-01

    Human urine samples obtained before and after active and passive exposure to marijuana were analyzed by immune kits (Roche, Amersham, and Syva) and gas chromatography/mass spectrometry (GC/MS). Seven of eight subjects were positive for the entire five-day test period with one immune kit. The latter correlated with GC/MS in 98% of the samples. Passive inhalation experiments under conditions likely to reflect realistic exposure resulted consistently in less than 10 ng/mL of cannabinoids. The 10-100-ng/mL cannabinoid concentration range essential for detection of occasional and moderate marijuana users is thus unaffected by realistic passive inhalation.

  17. Active and realistic passive marijuana exposure tested by three immunoassays and GC/MS in urine

    International Nuclear Information System (INIS)

    Mule, S.J.; Lomax, P.; Gross, S.J.

    1988-01-01

    Human urine samples obtained before and after active and passive exposure to marijuana were analyzed by immune kits (Roche, Amersham, and Syva) and gas chromatography/mass spectrometry (GC/MS). Seven of eight subjects were positive for the entire five-day test period with one immune kit. The latter correlated with GC/MS in 98% of the samples. Passive inhalation experiments under conditions likely to reflect realistic exposure resulted consistently in less than 10 ng/mL of cannabinoids. The 10-100-ng/mL cannabinoid concentration range essential for detection of occasional and moderate marijuana users is thus unaffected by realistic passive inhalation

  18. Toward the M(F)--Theory Embedding of Realistic Free-Fermion Models

    CERN Document Server

    Berglund, P; Faraggi, A E; Nanopoulos, Dimitri V; Qiu, Z; Berglund, Per; Ellis, John; Faraggi, Alon E.; Qiu, Zongan

    1998-01-01

    We construct a Landau-Ginzburg model with the same data and symmetries as a $Z_2\\times Z_2$ orbifold that corresponds to a class of realistic free-fermion models. Within the class of interest, we show that this orbifolding connects between different $Z_2\\times Z_2$ orbifold models and commutes with the mirror symmetry. Our work suggests that duality symmetries previously discussed in the context of specific $M$ and $F$ theory compactifications may be extended to the special $Z_2\\times Z_2$ orbifold that characterizes realistic free-fermion models.

  19. Ultra-realistic imaging advanced techniques in analogue and digital colour holography

    CERN Document Server

    Bjelkhagen, Hans

    2013-01-01

    Ultra-high resolution holograms are now finding commercial and industrial applications in such areas as holographic maps, 3D medical imaging, and consumer devices. Ultra-Realistic Imaging: Advanced Techniques in Analogue and Digital Colour Holography brings together a comprehensive discussion of key methods that enable holography to be used as a technique of ultra-realistic imaging.After a historical review of progress in holography, the book: Discusses CW recording lasers, pulsed holography lasers, and reviews optical designs for many of the principal laser types with emphasis on attaining th

  20. Energetic Analysis of Conjugated Hydrocarbons Using the Interacting Quantum Atoms Method.

    Science.gov (United States)

    Jara-Cortés, Jesús; Hernández-Trujillo, Jesús

    2018-07-05

    A number of aromatic, antiaromatic, and nonaromatic organic molecules was analyzed in terms of the contributions to the electronic energy defined in the quantum theory of atoms in molecules and the interacting quantum atoms method. Regularities were found in the exchange and electrostatic interatomic energies showing trends that are closely related to those of the delocalization indices defined in the theory. In particular, the CC interaction energies between bonded atoms allow to rationalize the energetic stabilization associated with the bond length alternation in conjugated polyenes. This approach also provides support to Clar's sextet rules devised for aromatic systems. In addition, the H⋯H bonding found in some of the aromatic molecules studied was of an attractive nature, according to the stabilizing exchange interaction between the bonded H atoms. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  1. Towards realistic Holocene land cover scenarios: integration of archaeological, palynological and geomorphological records and comparison to global land cover scenarios.

    Science.gov (United States)

    De Brue, Hanne; Verstraeten, Gert; Broothaerts, Nils; Notebaert, Bastiaan

    2016-04-01

    Accurate and spatially explicit landscape reconstructions for distinct time periods in human history are essential for the quantification of the effect of anthropogenic land cover changes on, e.g., global biogeochemical cycles, ecology, and geomorphic processes, and to improve our understanding of interaction between humans and the environment in general. A long-term perspective covering Mid and Late Holocene land use changes is recommended in this context, as it provides a baseline to evaluate human impact in more recent periods. Previous efforts to assess the evolution and intensity of agricultural land cover in past centuries or millennia have predominantly focused on palynological records. An increasing number of quantitative techniques has been developed during the last two decades to transfer palynological data to land cover estimates. However, these techniques have to deal with equifinality issues and, furthermore, do not sufficiently allow to reconstruct spatial patterns of past land cover. On the other hand, several continental and global databases of historical anthropogenic land cover changes based on estimates of global population and the required agricultural land per capita have been developed in the past decennium. However, at such long temporal and spatial scales, reconstruction of past anthropogenic land cover intensities and spatial patterns necessarily involves many uncertainties and assumptions as well. Here, we present a novel approach that combines archaeological, palynological and geomorphological data for the Dijle catchment in the central Belgium Loess Belt in order to arrive at more realistic Holocene land cover histories. Multiple land cover scenarios (> 60.000) are constructed using probabilistic rules and used as input into a sediment delivery model (WaTEM/SEDEM). Model outcomes are confronted with a detailed geomorphic dataset on Holocene sediment fluxes and with REVEALS based estimates of vegetation cover using palynological data from

  2. Visualizing Our Options for Coastal Places: Exploring Realistic Immersive Geovisualizations as Tools for Inclusive Approaches to Coastal Planning and Management

    Directory of Open Access Journals (Sweden)

    Robert Newell

    2017-09-01

    Full Text Available Effective coastal planning is inclusive and incorporates the variety of user needs, values and interests associated with coastal environments. Realistic, immersive geographic visualizations, i.e., geovisualizations, can serve as potentially powerful tools for facilitating such planning because they can provide diverse groups with vivid understandings of how they would feel about certain management outcomes or impacts if transpired in real places. However, the majority of studies in this area have focused on terrestrial environments, and research on applications of such tools in the coastal and marine contexts is in its infancy. The current study aims to advance such research by examining the potential a land-to-sea geovisualization has to serve as a tool for inclusive coastal planning efforts. The research uses Sidney Spit Park (BC, Canada as a study site, and a realistic, dynamic geovisualization of the park was developed (using Unity3D that allows users to interact with and navigate it through the first-person perspective. Management scenarios were developed based on discussions with Parks Canada, and these scenarios included fencing around vegetation areas, positioning of mooring buoys, and management of dog activity within the park. Scenarios were built into the geovisualization in a manner that allows users to toggle different options. Focus groups were then assembled, involving residents of the Capital Regional District (BC, Canada, and participants explored and provided feedback on the scenarios. Findings from the study demonstrate the geovisualization's usefulness for assessing certain qualities of scenarios, such as aesthetics and functionality of fencing options and potential viewshed impacts associated with different mooring boat locations. In addition, the study found that incorporating navigability into the geovisualization proved to be valuable for understanding scenarios that hold implications for the marine environment due to

  3. Downscaling Ocean Conditions: Initial Results using a Quasigeostrophic and Realistic Ocean Model

    Science.gov (United States)

    Katavouta, Anna; Thompson, Keith

    2014-05-01

    Previous theoretical work (Henshaw et al, 2003) has shown that the small-scale modes of variability of solutions of the unforced, incompressible Navier-Stokes equation, and Burgers' equation, can be reconstructed with surprisingly high accuracy from the time history of a few of the large-scale modes. Motivated by this theoretical work we first describe a straightforward method for assimilating information on the large scales in order to recover the small scale oceanic variability. The method is based on nudging in specific wavebands and frequencies and is similar to the so-called spectral nudging method that has been used successfully for atmospheric downscaling with limited area models (e.g. von Storch et al., 2000). The validity of the method is tested using a quasigestrophic model configured to simulate a double ocean gyre separated by an unstable mid-ocean jet. It is shown that important features of the ocean circulation including the position of the meandering mid-ocean jet and associated pinch-off eddies can indeed be recovered from the time history of a small number of large-scales modes. The benefit of assimilating additional time series of observations from a limited number of locations, that alone are too sparse to significantly improve the recovery of the small scales using traditional assimilation techniques, is also demonstrated using several twin experiments. The final part of the study outlines the application of the approach using a realistic high resolution (1/36 degree) model, based on the NEMO (Nucleus for European Modelling of the Ocean) modeling framework, configured for the Scotian Shelf of the east coast of Canada. The large scale conditions used in this application are obtained from the HYCOM (HYbrid Coordinate Ocean Model) + NCODA (Navy Coupled Ocean Data Assimilation) global 1/12 degree analysis product. Henshaw, W., Kreiss, H.-O., Ystrom, J., 2003. Numerical experiments on the interaction between the larger- and the small-scale motion of

  4. Modelling the performance of interferometric gravitational-wave detectors with realistically imperfect optics

    Science.gov (United States)

    Bochner, Brett

    1998-12-01

    The LIGO project is part of a world-wide effort to detect the influx of Gravitational Waves upon the earth from astrophysical sources, via their interaction with laser beams in interferometric detectors that are designed for extraordinarily high sensitivity. Central to the successful performance of LIGO detectors is the quality of their optical components, and the efficient optimization of interferometer configuration parameters. To predict LIGO performance with optics possessing realistic imperfections, we have developed a numerical simulation program to compute the steady-state electric fields of a complete, coupled-cavity LIGO interferometer. The program can model a wide variety of deformations, including laser beam mismatch and/or misalignment, finite mirror size, mirror tilts, curvature distortions, mirror surface roughness, and substrate inhomogeneities. Important interferometer parameters are automatically optimized during program execution to achieve the best possible sensitivity for each new set of perturbed mirrors. This thesis includes investigations of two interferometer designs: the initial LIGO system, and an advanced LIGO configuration called Dual Recycling. For Initial-LIGO simulations, the program models carrier and sideband frequency beams to compute the explicit shot-noise-limited gravitational wave sensitivity of the interferometer. It is demonstrated that optics of exceptional quality (root-mean-square deformations of less than ~1 nm in the central mirror regions) are necessary to meet Initial-LIGO performance requirements, but that they can be feasibly met. It is also shown that improvements in mirror quality can substantially increase LIGO's sensitivity to selected astrophysical sources. For Dual Recycling, the program models gravitational- wave-induced sidebands over a range of frequencies to demonstrate that the tuned and narrow-banded signal responses predicted for this configuration can be achieved with imperfect optics. Dual Recycling

  5. A realist review of one-to-one breastfeeding peer support experiments conducted in developed country settings.

    Science.gov (United States)

    Trickey, Heather; Thomson, Gill; Grant, Aimee; Sanders, Julia; Mann, Mala; Murphy, Simon; Paranjothy, Shantini

    2018-01-01

    The World Health Organisation guidance recommends breastfeeding peer support (BFPS) as part of a strategy to improve breastfeeding rates. In the UK, BFPS is supported by National Institute for Health and Care Excellence guidance and a variety of models are in use. The experimental evidence for BFPS in developed countries is mixed and traditional methods of systematic review are ill-equipped to explore heterogeneity, complexity, and context influences on effectiveness. This review aimed to enhance learning from the experimental evidence base for one-to-one BFPS intervention. Principles of realist review were applied to intervention case studies associated with published experimental studies. The review aimed (a) to explore heterogeneity in theoretical underpinnings and intervention design for one-to-one BFPS intervention; (b) inform design decisions by identifying transferable lessons developed from cross-case comparison of context-mechanism-outcome relationships; and (c) inform evaluation design by identifying context-mechanism-outcome relationships associated with experimental conditions. Findings highlighted poor attention to intervention theory and considerable heterogeneity in BFPS intervention design. Transferable mid-range theories to inform design emerged, which could be grouped into seven categories: (a) congruence with local infant feeding norms, (b) integration with the existing system of health care, (c) overcoming practical and emotional barriers to access, (d) ensuring friendly, competent, and proactive peers, (e) facilitating authentic peer-mother interactions, (f) motivating peers to ensure positive within-intervention amplification, and (g) ensuring positive legacy and maintenance of gains. There is a need to integrate realist principles into evaluation design to improve our understanding of what forms of BFPS work, for whom and under what circumstances. © 2017 John Wiley & Sons Ltd.

  6. Effective electric fields along realistic DTI-based neural trajectories for modelling the stimulation mechanisms of TMS

    International Nuclear Information System (INIS)

    De Geeter, N; Crevecoeur, G; Dupré, L; Leemans, A

    2015-01-01

    In transcranial magnetic stimulation (TMS), an applied alternating magnetic field induces an electric field in the brain that can interact with the neural system. It is generally assumed that this induced electric field is the crucial effect exciting a certain region of the brain. More specifically, it is the component of this field parallel to the neuron’s local orientation, the so-called effective electric field, that can initiate neuronal stimulation. Deeper insights on the stimulation mechanisms can be acquired through extensive TMS modelling. Most models study simple representations of neurons with assumed geometries, whereas we embed realistic neural trajectories computed using tractography based on diffusion tensor images. This way of modelling ensures a more accurate spatial distribution of the effective electric field that is in addition patient and case specific. The case study of this paper focuses on the single pulse stimulation of the left primary motor cortex with a standard figure-of-eight coil. Including realistic neural geometry in the model demonstrates the strong and localized variations of the effective electric field between the tracts themselves and along them due to the interplay of factors such as the tract’s position and orientation in relation to the TMS coil, the neural trajectory and its course along the white and grey matter interface. Furthermore, the influence of changes in the coil orientation is studied. Investigating the impact of tissue anisotropy confirms that its contribution is not negligible. Moreover, assuming isotropic tissues lead to errors of the same size as rotating or tilting the coil with 10 degrees. In contrast, the model proves to be less sensitive towards the not well-known tissue conductivity values. (paper)

  7. The three stages of building and testing mid-level theories in a realist RCT: a theoretical and methodological case-example.

    Science.gov (United States)

    Jamal, Farah; Fletcher, Adam; Shackleton, Nichola; Elbourne, Diana; Viner, Russell; Bonell, Chris

    2015-10-15

    Randomised controlled trials (RCTs) of social interventions are often criticised as failing to open the 'black box' whereby they only address questions about 'what works' without explaining the underlying processes of implementation and mechanisms of action, and how these vary by contextual characteristics of person and place. Realist RCTs are proposed as an approach to evaluation science that addresses these gaps while preserving the strengths of RCTs in providing evidence with strong internal validity in estimating effects. In the context of growing interest in designing and conducting realist trials, there is an urgent need to offer a worked example to provide guidance on how such an approach might be practically taken forward. The aim of this paper is to outline a three-staged theoretical and methodological process of undertaking a realist RCT using the example of the evaluation of a whole-school restorative intervention aiming to reduce aggression and bullying in English secondary schools. First, informed by the findings of our initial pilot trial and sociological theory, we elaborate our theory of change and specific a priori hypotheses about how intervention mechanisms interact with context to produce outcomes. Second, we describe how we will use emerging findings from the integral process evaluation within the RCT to refine, and add to, these a priori hypotheses before the collection of quantitative, follow-up data. Third, we will test our hypotheses using a combination of process and outcome data via quantitative analyses of effect mediation (examining mechanisms) and moderation (examining contextual contingencies). The results are then used to refine and further develop the theory of change. The aim of the realist RCT approach is thus not merely to assess whether the intervention is effective or not, but to develop empirically informed mid-range theory through a three-stage process. There are important implications for those involved with reporting and

  8. Interpretation of the spin glass behaviour of diluted magnetic semiconductors below the nearest-neighbour percolation threshold via realistic Monte Carlo simulations

    CERN Document Server

    Karaoulanis, D; Bacalis, N C

    2000-01-01

    We have performed Monte Carlo simulations of magnetic semiconductors above and below the nearest-neighbour percolation threshold (NNPT) using a classical Heisenberg Hamiltonian with up to third nearest-neighbour (nn) interactions. Large clusters were created allowing use of realistically low magnetic fields (10 G). Above NNPT our results, apart from confirming the existing picture of this class of materials, also show that the inclusion of the second and third (nn) interactions increases the frustration, thus making the transition temperature smaller and closer to experiment than calculated via the first nn interactions only. A physically plausible explanation is given. Below NNPT our results strongly support the validity of the hypothesis (D. Karaoulanis, J.P. Xanthakis, C. Papatriantafillou, J. Magn. Magn. Mater. 161 (1996) 231), that the experimentally observed susceptibility is the sum of two contributions: a paramagnetic one due to isolated magnetic clusters, and a spin-glass contribution due to an 'infi...

  9. A realistic approach of the quantum non-locality and their experimental consequences; Uma abordagem realistica da nao-localidade quantica e suas consequencias experimentais

    Energy Technology Data Exchange (ETDEWEB)

    Ryff, Luiz Carlos Bandeira

    1992-01-01

    A realistic approach to quantum nonlocality is proposed, and four experiments that can be used to test this approach, using pairs of correlated photons are discussed. The first experiment proposed would allow us to investigate the role of the interaction of a quantum system with a macroscopic apparatus (detector) in the so-called collapse of the state vector. The second would investigate the interaction with a polarizer. Following the line of the second, the third experiment raises questions concerning the partial collapse of the state vector. The fourth suggests ways of investigating some possible properties of the superluminal interaction needed to explain nonlocality according to realism. The extension of this approach to include pairs of photons produced via parametric down-conversion of light is discussed. (author). 57 refs, 19 figs.

  10. Wavelets-Computational Aspects of Sterian Realistic Approach to Uncertainty Principle in High Energy Physics: A Transient Approach

    Directory of Open Access Journals (Sweden)

    Cristian Toma

    2013-01-01

    Full Text Available This study presents wavelets-computational aspects of Sterian-realistic approach to uncertainty principle in high energy physics. According to this approach, one cannot make a device for the simultaneous measuring of the canonical conjugate variables in reciprocal Fourier spaces. However, such aspects regarding the use of conjugate Fourier spaces can be also noticed in quantum field theory, where the position representation of a quantum wave is replaced by momentum representation before computing the interaction in a certain point of space, at a certain moment of time. For this reason, certain properties regarding the switch from one representation to another in these conjugate Fourier spaces should be established. It is shown that the best results can be obtained using wavelets aspects and support macroscopic functions for computing (i wave-train nonlinear relativistic transformation, (ii reflection/refraction with a constant shift, (iii diffraction considered as interaction with a null phase shift without annihilation of associated wave, (iv deflection by external electromagnetic fields without phase loss, and (v annihilation of associated wave-train through fast and spatially extended phenomena according to uncertainty principle.

  11. A video, text, and speech-driven realistic 3-d virtual head for human-machine interface.

    Science.gov (United States)

    Yu, Jun; Wang, Zeng-Fu

    2015-05-01

    A multiple inputs-driven realistic facial animation system based on 3-D virtual head for human-machine interface is proposed. The system can be driven independently by video, text, and speech, thus can interact with humans through diverse interfaces. The combination of parameterized model and muscular model is used to obtain a tradeoff between computational efficiency and high realism of 3-D facial animation. The online appearance model is used to track 3-D facial motion from video in the framework of particle filtering, and multiple measurements, i.e., pixel color value of input image and Gabor wavelet coefficient of illumination ratio image, are infused to reduce the influence of lighting and person dependence for the construction of online appearance model. The tri-phone model is used to reduce the computational consumption of visual co-articulation in speech synchronized viseme synthesis without sacrificing any performance. The objective and subjective experiments show that the system is suitable for human-machine interaction.

  12. The tenants in the vineyard (GThom 65/Mark 12:1-12): A realistic ...

    African Journals Online (AJOL)

    Kloppenborg's reading of the parable of the tenants (Mk 12:1- 12/GThom 65) can be regarded as the first thoroughgoing realistic interpretation of the Tenants. By using extensive literary evidence on viticulture from 300 BCE to 300 CE, Kloppenborg argues that GThom 65 most probably comes closest to the original form of ...

  13. Context problems in realistic mathematics education: A calculus course as an example

    NARCIS (Netherlands)

    Gravemeijer, K.P.E.; Doorman, L.M.

    1999-01-01

    This article discusses the role of context problems, as they are used in the Dutch approach that is known as realistic mathematics education (RME). In RME, context problems are intended for supporting a reinvention process that enables students to come to grips with formal mathematics. This approach

  14. Do absorption and realistic distraction influence performance of component task surgical procedure?

    NARCIS (Netherlands)

    Pluyter, J.R.; Buzink, S.N.; Rutkowski, A.F.; Jakimowicz, J.J.

    2009-01-01

    Background. Surgeons perform complex tasks while exposed to multiple distracting sources that may increase stress in the operating room (e.g., music, conversation, and unadapted use of sophisticated technologies). This study aimed to examine whether such realistic social and technological

  15. Simulation of size-dependent aerosol deposition in a realistic model of the upper human airways

    NARCIS (Netherlands)

    Frederix, E.M.A.; Kuczaj, Arkadiusz K.; Nordlund, Markus; Belka, M.; Lizal, F.; Elcner, J.; Jicha, M.; Geurts, Bernardus J.

    An Eulerian internally mixed aerosol model is used for predictions of deposition inside a realistic cast of the human upper airways. The model, formulated in the multi-species and compressible framework, is solved using the sectional discretization of the droplet size distribution function to

  16. Establishing Upper Limits for Item Ratings for the Angoff Method: Are Resulting Standards More 'Realistic'?

    Science.gov (United States)

    Reid, Jerry B.

    This report investigates an area of uncertainty in using the Angoff method for setting standards, namely whether or not a judge's conceptualizations of borderline group performance are realistic. Ratings are usually made with reference to the performance of this hypothetical group, therefore the Angoff method's success is dependent on this point.…

  17. Using realist synthesis to understand the mechanisms of interprofessional teamwork in health and social care.

    Science.gov (United States)

    Hewitt, Gillian; Sims, Sarah; Harris, Ruth

    2014-11-01

    Realist synthesis offers a novel and innovative way to interrogate the large literature on interprofessional teamwork in health and social care teams. This article introduces realist synthesis and its approach to identifying and testing the underpinning processes (or "mechanisms") that make an intervention work, the contexts that trigger those mechanisms and their subsequent outcomes. A realist synthesis of the evidence on interprofessional teamwork is described. Thirteen mechanisms were identified in the synthesis and findings for one mechanism, called "Support and value" are presented in this paper. The evidence for the other twelve mechanisms ("collaboration and coordination", "pooling of resources", "individual learning", "role blurring", "efficient, open and equitable communication", "tactical communication", "shared responsibility and influence", "team behavioural norms", "shared responsibility and influence", "critically reviewing performance and decisions", "generating and implementing new ideas" and "leadership") are reported in a further three papers in this series. The "support and value" mechanism referred to the ways in which team members supported one another, respected other's skills and abilities and valued each other's contributions. "Support and value" was present in some, but far from all, teams and a number of contexts that explained this variation were identified. The article concludes with a discussion of the challenges and benefits of undertaking this realist synthesis.

  18. Phenomenology of a realistic accelerating universe using tracker fields

    Indian Academy of Sciences (India)

    We present a realistic scenario of tracking of scalar fields with varying equation of state. The astrophysical constraints on the evolution of scalar fields in the physical universe are discussed. The nucleosynthesis and the galaxy formation constraints have been used to put limits on and estimate during cosmic evolution.

  19. Complete methodology on generating realistic wind speed profiles based on measurements

    DEFF Research Database (Denmark)

    Gavriluta, Catalin; Spataru, Sergiu; Mosincat, Ioan

    2012-01-01

    , wind modelling for medium and large time scales is poorly treated in the present literature. This paper presents methods for generating realistic wind speed profiles based on real measurements. The wind speed profile is divided in a low- frequency component (describing long term variations...

  20. Lessons learned in using realist evaluation to assess maternal and newborn health programming in rural Bangladesh.

    Science.gov (United States)

    Adams, Alayne; Sedalia, Saroj; McNab, Shanon; Sarker, Malabika

    2016-03-01

    Realist evaluation furnishes valuable insight to public health practitioners and policy makers about how and why interventions work or don't work. Moving beyond binary measures of success or failure, it provides a systematic approach to understanding what goes on in the 'Black Box' and how implementation decisions in real life contexts can affect intervention effectiveness. This paper reflects on an experience in applying the tenets of realist evaluation to identify optimal implementation strategies for scale-up of Maternal and Newborn Health (MNH) programmes in rural Bangladesh. Supported by UNICEF, the three MNH programmes under consideration employed different implementation models to deliver similar services and meet similar MNH goals. Programme targets included adoption of recommended antenatal, post-natal and essential newborn care practices; health systems strengthening through improved referral, accountability and administrative systems, and increased community knowledge. Drawing on focused examples from this research, seven steps for operationalizing the realist evaluation approach are offered, while emphasizing the need to iterate and innovate in terms of methods and analysis strategies. The paper concludes by reflecting on lessons learned in applying realist evaluation, and the unique insights it yields regarding implementation strategies for successful MNH programming. © The Author 2015. Published by Oxford University Press in association with The London School of Hygiene and Tropical Medicine.

  1. Two politicians in a realistic experiment: attraction, discrepancy, intensity of delivery, and attitude change

    NARCIS (Netherlands)

    Wiegman, O.

    1985-01-01

    The leader of the Socialists in the Dutch Parliament and his Liberal opponent participated in this realistic experiment. Identical TV interviews with the two politicians were recorded and shown to subjects of both parties. The intensity of delivery was also varied: emotional versus rational. Our

  2. Aquatic risk assessment of a realistic exposure to pesticides used in bulb crops: a microcosm study

    NARCIS (Netherlands)

    Wijngaarden, van R.P.A.; Cuppen, J.G.M.; Arts, G.H.P.; Crum, S.J.H.; Hoorn, van den M.W.; Brink, van den P.J.; Brock, T.C.M.

    2004-01-01

    The fungicide fluazinam, the insecticide lambda-cyhalothrin, and the herbicides asulam and metamitron were applied to indoor freshwater microcosms (water volume approximately 0.6 m3). The treatment regime was based on a realistic application scenario in tulip cultivation. Concentrations of each

  3. Developing a learning environment on realistic mathematics education for Indonesian student teachers

    NARCIS (Netherlands)

    Zulkardi, Z.

    2002-01-01

    The CASCADE-IMEI study was started to explore the role of a learning environment (LE) in assisting mathematics student teachers learning Realistic Mathematics Education (RME) as a new instructional approach in mathematics education in Indonesia. The LE for this study has been developed and evaluated

  4. CASCADE-IMEI: A learning environment of realistic mathematics for student teachers in Indonesia

    NARCIS (Netherlands)

    Zulkardi, Z.; Nieveen, N.M.

    2001-01-01

    This paper reports on the second phase of a four-year study which aims to develop a learning environment that supports prospective mathematics teachers learning realistic mathematics education (RME) in teacher education in Indonesia. The results suggest that by giving student teachers experiences in

  5. CASCADE-IMEI: Web site support for student teachers learning Realistic Mathematics Education (RME) in Indonesia

    NARCIS (Netherlands)

    Zulkardi, Z.; Nieveen, N.M.

    2001-01-01

    CASCADE-IMEI is a learning environment in the form of a face-to-face course and a web site (www.cascadeimei.com) which aims to support student teachers in Indonesia to learn Realistic Mathematics Education (RME). RME is an instructional theory in mathematics education that was originally developed

  6. Automatic procedure for realistic 3D finite element modelling of human brain for bioelectromagnetic computations

    International Nuclear Information System (INIS)

    Aristovich, K Y; Khan, S H

    2010-01-01

    Realistic computer modelling of biological objects requires building of very accurate and realistic computer models based on geometric and material data, type, and accuracy of numerical analyses. This paper presents some of the automatic tools and algorithms that were used to build accurate and realistic 3D finite element (FE) model of whole-brain. These models were used to solve the forward problem in magnetic field tomography (MFT) based on Magnetoencephalography (MEG). The forward problem involves modelling and computation of magnetic fields produced by human brain during cognitive processing. The geometric parameters of the model were obtained from accurate Magnetic Resonance Imaging (MRI) data and the material properties - from those obtained from Diffusion Tensor MRI (DTMRI). The 3D FE models of the brain built using this approach has been shown to be very accurate in terms of both geometric and material properties. The model is stored on the computer in Computer-Aided Parametrical Design (CAD) format. This allows the model to be used in a wide a range of methods of analysis, such as finite element method (FEM), Boundary Element Method (BEM), Monte-Carlo Simulations, etc. The generic model building approach presented here could be used for accurate and realistic modelling of human brain and many other biological objects.

  7. Improvements on a simple muscle-based 3D face for realistic facial expressions

    NARCIS (Netherlands)

    Bui, T.D.; Heylen, Dirk K.J.; Nijholt, Antinus; Badler, N.; Thalmann, D.

    2003-01-01

    Facial expressions play an important role in face-to-face communication. With the development of personal computers capable of rendering high quality graphics, computer facial animation has produced more and more realistic facial expressions to enrich human-computer communication. In this paper, we

  8. Depictions and Gaps: Portrayal of U.S. Poverty in Realistic Fiction Children's Picture Books

    Science.gov (United States)

    Kelley, Jane E.; Darragh, Janine J.

    2011-01-01

    Researchers conducted a critical multicultural analysis of 58 realistic fiction children's picture books that portray people living in poverty and compared these depictions to recent statistics from the United States Census Bureau. The picture books were examined for the following qualities: main character, geographic locale and time era, focal…

  9. Assessing Outcomes of a Realistic Major Preview in an Introductory Sport Management Course

    Science.gov (United States)

    Pierce, David; Wanless, Elizabeth; Johnson, James

    2014-01-01

    This paper assessed the outcomes of a field experience assignment (FEA) in an introductory sport management course designed as a realistic major preview. Student learning outcomes assessed were commitment to the major, intent to pursue the major, expectation of a career in sports, and perceived preparation for a career in sports. A…

  10. Blending critical realist and emancipatory practice development methodologies: making critical realism work in nursing research.

    LENUS (Irish Health Repository)

    Parlour, Randal

    2012-12-01

    This paper examines the efficacy of facilitation as a practice development intervention in changing practice within an Older Person setting and in implementing evidence into practice. It outlines the influences exerted by the critical realist paradigm in guiding emancipatory practice development activities and, in particular, how the former may be employed within an emancipatory practice development study to elucidate and increase understanding pertinent to causation and outcomes. The methodology is based upon an emancipatory practice development approach set within a realistic evaluation framework. This allows for systematic analysis of the social and contextual elements that influence the explication of outcomes associated with facilitation. The study is concentrated upon five practice development cycles, within which a sequence of iterative processes is integrated. The authors assert that combining critical realist and emancipatory processes offers a robust and practical method for translating evidence and implementing changes in practice, as the former affirms or falsifies the influence that emancipatory processes exert on attaining culture shift, and enabling transformation towards effective clinical practice. A new framework for practice development is proposed that establishes methodological coherency between emancipatory practice development and realistic evaluation. This augments the existing theoretical bases for both these approaches by contributing new theoretical and methodological understandings of causation.

  11. Plasticity-modulated seizure dynamics for seizure termination in realistic neuronal models

    NARCIS (Netherlands)

    Koppert, M.M.J.; Kalitzin, S.; Lopes da Silva, F.H.; Viergever, M.A.

    2011-01-01

    In previous studies we showed that autonomous absence seizure generation and termination can be explained by realistic neuronal models eliciting bi-stable dynamics. In these models epileptic seizures are triggered either by external stimuli (reflex epilepsies) or by internal fluctuations. This

  12. The tenants in the vineyard (GThom 65/Mark 12:1-12): A realistic ...

    African Journals Online (AJOL)

    p1243322

    understanding and his own realistic reading of the Wirkungsgeschichte of the ...... maximize the quality of the wine, while the tenants' interest was to harvest the grapes later in ..... appreciation of that person in the eyes of others (i. e., claim and.

  13. Hyper-realistic face masks: a new challenge in person identification.

    Science.gov (United States)

    Sanders, Jet Gabrielle; Ueda, Yoshiyuki; Minemoto, Kazusa; Noyes, Eilidh; Yoshikawa, Sakiko; Jenkins, Rob

    2017-01-01

    We often identify people using face images. This is true in occupational settings such as passport control as well as in everyday social environments. Mapping between images and identities assumes that facial appearance is stable within certain bounds. For example, a person's apparent age, gender and ethnicity change slowly, if at all. It also assumes that deliberate changes beyond these bounds (i.e., disguises) would be easy to spot. Hyper-realistic face masks overturn these assumptions by allowing the wearer to look like an entirely different person. If unnoticed, these masks break the link between facial appearance and personal identity, with clear implications for applied face recognition. However, to date, no one has assessed the realism of these masks, or specified conditions under which they may be accepted as real faces. Herein, we examined incidental detection of unexpected but attended hyper-realistic masks in both photographic and live presentations. Experiment 1 (UK; n = 60) revealed no evidence for overt detection of hyper-realistic masks among real face photos, and little evidence of covert detection. Experiment 2 (Japan; n = 60) extended these findings to different masks, mask-wearers and participant pools. In Experiment 3 (UK and Japan; n = 407), passers-by failed to notice that a live confederate was wearing a hyper-realistic mask and showed limited evidence of covert detection, even at close viewing distance (5 vs. 20 m). Across all of these studies, viewers accepted hyper-realistic masks as real faces. Specific countermeasures will be required if detection rates are to be improved.

  14. Experimental Analysis of the Vorticity and Turbulent Flow Dynamics of a Pitching Airfoil at Realistic Flight Conditions

    National Research Council Canada - National Science Library

    Bowersox, Rodney D; Sahoo, Dipankar

    2007-01-01

    The primary objective of this research proposal was improved understanding of the fundamental vorticity and turbulent flow physics for a dynamically stalling airfoil at realistic helicopter flight conditions...

  15. Interactive Information Retrieval:

    DEFF Research Database (Denmark)

    Borlund, Pia

    IIR from the perspective of search dedication and task load in order to also include everyday life information seeking? With this presentation, the IIR community is invited to an exchange of ideas and is encouraged to engage in collaborations with the solving of these (and other) issues to our joint......This presentation addresses methodological issues of interactive information retrieval (IIR) evaluation in terms of what it entails to study users' use and interaction with IR systems, as well as their satisfaction with retrieved information. In particular, the presentation focuses on test design...... of the users to ensure a complete and realistic picture to enhance our understanding of IIR. The presentation also reflects on whether a re-thinking of the concept on an information need is necessary. One may ask whether it still makes sense to talk about types of information needs. Or should we rather study...

  16. The hard-sphere model of strongly interacting fermion systems

    OpenAIRE

    Mecca, Angela

    2016-01-01

    The formalism based on Correlated Basis Functions (CBF) and the cluster-expansion technique has been recently employed to derive an effective interaction from a realistic nuclear Hamiltonian. One of the main objectives of the work described in this Thesis is establishing the accuracy of this novel approach--that allows to combine the flexibility of perturbation theory in the basis of eigenstates of the noninteracting system with a realistic description of short-range correlations in coordinat...

  17. Interatomic bonding in solids fundamentals, simulation, applications

    CERN Document Server

    Levitin , Valim

    2013-01-01

    The connection between the quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum engineering and theory should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids together and it is central to determining struct

  18. Capacitance high temperature strain transducer by Interatom

    International Nuclear Information System (INIS)

    Fortmann, M.

    1987-01-01

    Special strain transducers are necessary to perform structure mechanical experiments on real components under creep-fatigue load. The new development of the transducer was able to solve the problem. In the meantime, different characteristics of the transducer have been examined and many successful applications have been effected. Some important aspects are given in this report. Up to now the longest operation period has been 24000 h on a pipe at 630 0 C service temperature in a conventional power station. (orig./DG) [de

  19. Interatomic Coulombic decay in helium nanodroplets

    DEFF Research Database (Denmark)

    Shcherbinin, Mykola; Laforge, Aaron; Sharma, Vandana

    2017-01-01

    , or in the droplet interior. ICD at the surface gives rise to energetic He+ ions as previously observed for free He dimers. ICD deeper inside leads to the ejection of slow He+ ions due to Coulomb explosion delayed by elastic collisions with neighboring He atoms, and to the formation of Hek+ complexes....

  20. Determination of the structure of γ-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to achieve an accurate structural model

    International Nuclear Information System (INIS)

    Paglia, Gianluca; Rohl, Andrew L.; Gale, Julian D.; Buckley, Craig E.

    2005-01-01

    diffraction pattern. This study has provided further insight of the defect structure of γ-Al 2 O 3 which is necessary for the understanding and optimization of properties. This work also demonstrates the advantages of prior use of geometric analysis and interatomic potentials to assess a large number of structural possibilities, before striving to achieve high accuracy with DFT on promising cases