Configuration mixing in the sdg interacting boson model

Energy Technology Data Exchange (ETDEWEB)

Bouldjedri, A [Department of Physics, Faculty of Science, University of Batna, Avenue Boukhelouf M El Hadi, 05000 Batna (Algeria); Van Isacker, P [GANIL, BP 55027, F-14076 Caen cedex 5 (France); Zerguine, S [Department of Physics, Faculty of Science, University of Batna, Avenue Boukhelouf M El Hadi, 05000 Batna (Algeria)

2005-11-01

A wavefunction analysis of the strong-coupling limits of the sdg interacting boson model is presented. The analysis is carried out for two-boson states and allows us to characterize the boson configuration mixing in the different limits. Based on these results and those of a shell-model analysis of the sdg IBM, qualitative conclusions are drawn about the range of applicability of each limit.

Convergence of configuration-interaction single-center calculations of positron-atom interactions

International Nuclear Information System (INIS)

Mitroy, J.; Bromley, M. W. J.

2006-01-01

The configuration interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of binding energy, phase shift, and annihilation rate with respect to the maximum angular momentum of the orbital basis for the e + Cu and PsH bound states, and the e + -H scattering system were completed. The annihilation rates converge very slowly with angular momentum, and moreover the convergence with radial basis dimension appears to be slower for high angular momentum. A number of methods of completing the partial wave sum are compared; an approach based on a ΔX J =a(J+(1/2)) -n +b(J+(1/2)) -(n+1) form [with n=4 for phase shift (or energy) and n=2 for the annihilation rate] seems to be preferred on considerations of utility and underlying physical justification

A hybrid configuration interaction treatment based on seniority number and excitation schemes

International Nuclear Information System (INIS)

Alcoba, Diego R.; Capuzzi, Pablo; Torre, Alicia; Lain, Luis; Oña, Ofelia B.; Van Raemdonck, Mario; Bultinck, Patrick; Van Neck, Dimitri

2014-01-01

We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method

A hybrid configuration interaction treatment based on seniority number and excitation schemes

Energy Technology Data Exchange (ETDEWEB)

Alcoba, Diego R.; Capuzzi, Pablo [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E-48080 Bilbao (Spain); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina); Van Raemdonck, Mario; Bultinck, Patrick [Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent (Belgium); Van Neck, Dimitri [Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium)

2014-12-28

We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method.

Higher-order resonant electronic recombination as a manifestation of configuration interaction

International Nuclear Information System (INIS)

Beilmann, C; Amaro, P; Tashenov, S; Bekker, H; Harman, Z; Crespo López-Urrutia, J R

2013-01-01

Theoretical and experimental investigations of higher-order electron–ion recombination resonances including inter-shell excitations are presented for L-shell ions of Kr with the aim of examining details of atomic structure calculations. The particular importance of electron–electron interaction and configuration mixing effects for these recombination processes enables their use for detailed tests of electron correlation effects. A test of the required level of considered mixing configurations is presented and further experiments involving higher-order recombination channels are motivated. (paper)

Configurational energies and effective cluster interactions in substitutionally disordered binary alloys

International Nuclear Information System (INIS)

Gonis, A.; Zhang, X.h.; Freeman, A.J.; Turchi, P.; Stocks, G.M.; Nicholson, D.M.

1987-01-01

The determination of configurational energies in terms of effective cluster interactions in substitutionally disordered alloys from a knowledge of the alloy electronic structure is examined within the methods of concentration waves (CW) and the generalized perturbation method (GPM), and for the first time within the embedded-cluster method (ECM). It is shown that the ECM provides the exact summation to all orders of the effective cluster interaction expansions obtained in the partially renormalized GPM. The connection between the various methods (CW, GPM, and ECM) is discussed and illustrated by means of numerical calculations for model one-dimensional tight-binding (TB) systems and for TB Hamiltonians chosen to describe Pd-V alloys. These calculations, and the formal considerations presented in the body of the paper, show the complete equivalence of converged GPM summations within specific clusters and the ECM. In addition, it is shown that an exact expansion of the configurational energy can be obtained in terms of fully renormalized effective cluster interactions. In principle, these effective cluster interactions can be used in conjunction with statistical models to determine stable ordered structures at low temperatures and alloy phase diagrams

Gamow-Teller response in the configuration space of a density-functional-theory-rooted no-core configuration-interaction model

Science.gov (United States)

Konieczka, M.; Kortelainen, M.; Satuła, W.

2018-03-01

Background: The atomic nucleus is a unique laboratory in which to study fundamental aspects of the electroweak interaction. This includes a question concerning in medium renormalization of the axial-vector current, which still lacks satisfactory explanation. Study of spin-isospin or Gamow-Teller (GT) response may provide valuable information on both the quenching of the axial-vector coupling constant as well as on nuclear structure and nuclear astrophysics. Purpose: We have performed a seminal calculation of the GT response by using the no-core configuration-interaction approach rooted in multireference density functional theory (DFT-NCCI). The model treats properly isospin and rotational symmetries and can be applied to calculate both the nuclear spectra and transition rates in atomic nuclei, irrespectively of their mass and particle-number parity. Methods: The DFT-NCCI calculation proceeds as follows: First, one builds a configuration space by computing relevant, for a given physical problem, (multi)particle-(multi)hole Slater determinants. Next, one applies the isospin and angular-momentum projections and performs the isospin and K mixing in order to construct a model space composed of linearly dependent states of good angular momentum. Eventually, one mixes the projected states by solving the Hill-Wheeler-Griffin equation. Results: The method is applied to compute the GT strength distribution in selected N ≈Z nuclei including the p -shell 8Li and 8Be nuclei and the s d -shell well-deformed nucleus 24Mg. In order to demonstrate a flexibility of the approach we present also a calculation of the superallowed GT β decay in doubly-magic spherical 100Sn and the low-spin spectrum in 100In. Conclusions: It is demonstrated that the DFT-NCCI model is capable of capturing the GT response satisfactorily well by using a relatively small configuration space, exhausting simultaneously the GT sum rule. The model, due to its flexibility and broad range of applicability, may

Watermelon configurations with wall interaction: exact and asymptotic results

Energy Technology Data Exchange (ETDEWEB)

Krattenthaler, C [Institut Camille Jordan, Universite Claude Bernard Lyon-I, 21, avenue Claude Bernard, F-69622 Villeurbanne Cedex (France)

2006-06-15

We perform an exact and asymptotic analysis of the model of n vicious walkers interacting with a wall via contact potentials, a model introduced by Brak, Essam and Owczarek. More specifically, we study the partition function of watermelon configurations which start on the wall, but may end at arbitrary height, and their mean number of contacts with the wall. We improve and extend the earlier (partially nonrigorous) results by Brak, Essam and Owczarek, providing new exact results, and more precise and more general asymptotic results, in particular full asymptotic expansions for the partition function and the mean number of contacts. Furthermore, we relate this circle of problems to earlier results in the combinatorial and statistical literature.

Watermelon configurations with wall interaction: exact and asymptotic results

International Nuclear Information System (INIS)

Krattenthaler, C

2006-01-01

We perform an exact and asymptotic analysis of the model of n vicious walkers interacting with a wall via contact potentials, a model introduced by Brak, Essam and Owczarek. More specifically, we study the partition function of watermelon configurations which start on the wall, but may end at arbitrary height, and their mean number of contacts with the wall. We improve and extend the earlier (partially nonrigorous) results by Brak, Essam and Owczarek, providing new exact results, and more precise and more general asymptotic results, in particular full asymptotic expansions for the partition function and the mean number of contacts. Furthermore, we relate this circle of problems to earlier results in the combinatorial and statistical literature

Watermelon configurations with wall interaction: exact and asymptotic results

Science.gov (United States)

Krattenthaler, C.

2006-06-01

We perform an exact and asymptotic analysis of the model of n vicious walkers interacting with a wall via contact potentials, a model introduced by Brak, Essam and Owczarek. More specifically, we study the partition function of watermelon configurations which start on the wall, but may end at arbitrary height, and their mean number of contacts with the wall. We improve and extend the earlier (partially nonrigorous) results by Brak, Essam and Owczarek, providing new exact results, and more precise and more general asymptotic results, in particular full asymptotic expansions for the partition function and the mean number of contacts. Furthermore, we relate this circle of problems to earlier results in the combinatorial and statistical literature.

Mixing of the lowest-lying qqq configurations with JP =1/2- in different hyperfine interaction models

Science.gov (United States)

Chen, Jia; An, Chunsheng; Chen, Hong

2018-02-01

We investigate mixing of the lowest-lying qqq configurations with JP = 1/2- caused by the hyperfine interactions between quarks mediated by Goldstone Boson Exchange, One Gluon Exchange, and both Goldstone Boson and One Gluon exchange, respectively. The first orbitally excited nucleon, Σ, Λ and Ξ states are considered. Contributions of both the contact term and tensor term are taken into account. Our numerical results show that mixing of the studied configurations in the two employed hyperfine interaction models are very different. Therefore, the present results, which should affect the strong and electromagnetic decays of baryon resonances, may be used to examine the present employed hyperfine interaction models. Supported by National Natural Science Foundation of China (11675131,11645002), Chongqing Natural Science Foundation (cstc2015jcyjA00032) and Fundamental Research Funds for the Central Universities (SWU115020)

Parallel implementation and performance optimization of the configuration-interaction method

Energy Technology Data Exchange (ETDEWEB)

Shan, H; Williams, S; Johnson, C; McElvain, K; Ormand, WE

2015-11-20

The configuration-interaction (CI) method, long a popular approach to describe quantum many-body systems, is cast as a very large sparse matrix eigenpair problem with matrices whose dimension can exceed one billion. Such formulations place high demands on memory capacity and memory bandwidth - - two quantities at a premium today. In this paper, we describe an efficient, scalable implementation, BIGSTICK, which, by factorizing both the basis and the interaction into two levels, can reconstruct the nonzero matrix elements on the fly, reduce the memory requirements by one or two orders of magnitude, and enable researchers to trade reduced resources for increased computational time. We optimize BIGSTICK on two leading HPC platforms - - the Cray XC30 and the IBM Blue Gene/Q. Specifically, we not only develop an empirically-driven load balancing strategy that can evenly distribute the matrix-vector multiplication across 256K threads, we also developed techniques that improve the performance of the Lanczos reorthogonalization. Combined, these optimizations improved performance by 1.3-8× depending on platform and configuration.

Nuclear deformation in the configuration-interaction shell model

Science.gov (United States)

Alhassid, Y.; Bertsch, G. F.; Gilbreth, C. N.; Mustonen, M. T.

2018-02-01

We review a method that we recently introduced to calculate the finite-temperature distribution of the axial quadrupole operator in the laboratory frame using the auxiliary-field Monte Carlo technique in the framework of the configuration-interaction shell model. We also discuss recent work to determine the probability distribution of the quadrupole shape tensor as a function of intrinsic deformation β,γ by expanding its logarithm in quadrupole invariants. We demonstrate our method for an isotope chain of samarium nuclei whose ground states describe a crossover from spherical to deformed shapes.

Simulation of Molten Core-Concrete Interaction in oxide/metal stratified configuration with the TOLBIAC-ICB code

International Nuclear Information System (INIS)

Tourniaire, B.; Spindler, B.

2005-01-01

The frame of this work is the validation of the TOLBIAC-ICB code which is devoted to the simulation of Molten Core-Concrete Interaction (MCCI) for reactor safety analysis. Attention focuses here on the validation of TOLBIAC-ICB in configurations expected to be representative of the long term phase of MCCI i.e. during an interaction between an oxide/metal stratified corium melt and a concrete structure. Up to now the BETA tests performed at the Forschungszentrum Karlsruhe (FzK) are the only tests available to study such kind of interaction. The BETA tests are first described and the operating conditions are reminded. The TOLBIAC-ICB code is then briefly described, with emphasis on the models used for stratified configurations. The results of the simulations are discussed. A sensitivity study is also performed with the power generated in the oxide layer instead of the metal layer as in the test. This last calculation shows that the large axial ablation observed in the tests is probably due to the peculiar configuration of the test with input power in the bottom metal layer. Since in the reactor case the residual power would be mainly concentrated in the upper oxide layer, the conclusions of the BETA tests for the reactor applications, in term of axial ablation, must be derived with caution. (author)

Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo

International Nuclear Information System (INIS)

Thomas, Robert E.; Overy, Catherine; Opalka, Daniel; Alavi, Ali; Knowles, Peter J.; Booth, George H.

2015-01-01

Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, “replica” ensemble of walkers, whose population evolves in imaginary time independently from the first and which entails only modest additional computational overheads. The matrices obtained from this approach are shown to be representative of full configuration-interaction quality and hence provide a realistic opportunity to achieve high-quality results for a range of properties whose operators do not necessarily commute with the Hamiltonian. A density-matrix formulated quasi-variational energy estimator having been already proposed and investigated, the present work extends the scope of the theory to take in studies of analytic nuclear forces, molecular dipole moments, and polarisabilities, with extensive comparison to exact results where possible. These new results confirm the suitability of the sampling technique and, where sufficiently large basis sets are available, achieve close agreement with experimental values, expanding the scope of the method to new areas of investigation

Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method

Energy Technology Data Exchange (ETDEWEB)

Lötstedt, Erik, E-mail: lotstedt@chem.s.u-tokyo.ac.jp; Kato, Tsuyoshi; Yamanouchi, Kaoru [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

2016-04-21

An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are kept in the expansion of the wave function, while the configuration-interaction coefficients are approximately calculated, is discussed by showing the results on three model systems: a one-dimensional model of a beryllium atom, a one-dimensional model of a carbon atom, and a one-dimensional model of a chain of four hydrogen atoms. The time-dependent electronic dynamics induced by a few-cycle, long-wavelength laser pulse is found to be well described at a lower computational cost compared to the standard multiconfiguration time-dependent Hartree-Fock treatment. Drawbacks of the method are also discussed.

New Advancements in the Study of the Uniform Electron Gas with Full Configuration Interaction Quantum Monte Carlo

Science.gov (United States)

Ruggeri, Michele; Luo, Hongjun; Alavi, Ali

Full Configuration Interaction Quantum Monte Carlo (FCIQMC) is able to give remarkably accurate results in the study of atoms and molecules. The study of the uniform electron gas (UEG) on the other hand has proven to be much harder, particularly in the low density regime. The source of this difficulty comes from the strong interparticle correlations that arise at low density, and essentially forbid the study of the electron gas in proximity of Wigner crystallization. We extend a previous study on the three dimensional electron gas computing the energy of a fully polarized gas for N=27 electrons at high and medium density (rS = 0 . 5 to 5 . 0). We show that even when dealing with a polarized UEG the computational cost of the study of systems with rS > 5 . 0 is prohibitive; in order to deal with correlations and to extend the density range that to be studied we introduce a basis of localized states and an effective transcorrelated Hamiltonian.

Particle-two particle interaction in configuration space

International Nuclear Information System (INIS)

Kuzmichev, V.E.

1982-07-01

The problem if three indentical particles with zero-range two-particle interaction is considered. An explicit expression for the effective potential between one particle and the remaining two-particle system is obtained in the coordinate representation. It is shown that for arbitrary energies, at small and, for zero energy, at large distances rho between the one particle and centre of mass of the other two particles the diagonal matrix element of the effective potential is attractive and proportional to 1/rho 2 . This property of the effective potenial explains both the Thomas singularity and the Efimov effect. In the case of zero total energy of the system the general form of the solution of the three-particle integral equation is found in configuration space. (orig.)

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

Science.gov (United States)

Klinkusch, Stefan; Tremblay, Jean Christophe

2016-05-14

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

Energy Technology Data Exchange (ETDEWEB)

Klinkusch, Stefan; Tremblay, Jean Christophe [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)

2016-05-14

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

Determination of orbitals for use in configuration interaction calculations

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Davidson, E.R.; Ruedenberg, K.; Hinze, J.

1978-01-01

For a full configuration interaction (CI) calculation the choice of orbitals is completely irrelevant, i.e., the calculated wavefunction is unaffected by an arbitrary unitary transformation of the orbitals; it depends only on the space spanned by the original basis set. For most chemical systems it is not possible to realistically carry out a full CI calculation, so that specification of the orbital set is important. Even for less-than-full CI calculations, it can be shown, however, that for certain types of calculations the wavefunction is unaffected by restricted transformations among the orbital set. For example, for CI calculations based on a single configuration plus a complete set of excitations of a given type (single, double, etc.), the calculated wavefunction is independent of transformations among the set of occupied orbitals and among the set of virtual orbitals. The wavefunction does, however, depend on transformations which mix the occupied and virtual orbitals

Configuration studies of LHD plasmas

International Nuclear Information System (INIS)

Okamoto, M.

1997-01-01

Configuration studies are performed on the plasmas of The Large Helical Device (LHD), the construction of which is almost completed at the National Institute for Fusion Science. The LHD has flexibility as an experimental device and can have various configurations by changing the poloidal magnetic fields, the pitch of the helical coils (pitch parameter), and the ratio of currents flowing in the two helical coils. Characteristics of the plasma are investigated for the standard configuration, the change in the pitch parameter, and the helical axis configuration

Configuration studies of LHD plasmas

Energy Technology Data Exchange (ETDEWEB)

Okamoto, Masao

1997-03-01

Configuration studies are performed on the plasmas of The Large Helical Device (LHD), the construction of which is almost completed at the National Institute for Fusion Science. The LHD has flexibility as an experimental device and can have various configurations by changing the poloidal magnetic fields, the pitch of the helical coils (pitch parameter), and the ratio of currents flowing in the two helical coils. Characteristics of the plasma are investigated for the standard configuration, the change in the pitch parameter, and the helical axis configuration. (author)

MCSA Windows Server 2012 R2 installation and configuration study guide exam 70-410

CERN Document Server

Panek, William

2015-01-01

Master Windows Server installation and configuration withhands-on practice and interactive study aids for the MCSA: WindowsServer 2012 R2 exam 70-410 MCSA: Windows Server 2012 R2 Installation and ConfigurationStudy Guide: Exam 70-410 provides complete preparationfor exam 70-410: Installing and Configuring Windows Server 2012 R2.With comprehensive coverage of all exam topics and plenty ofhands-on practice, this self-paced guide is the ideal resource forthose preparing for the MCSA on Windows Server 2012 R2. Real-worldscenarios demonstrate how the lessons are applied in everydaysettings. Reader

Configuration interaction calculations of positron binding to Be(3P )

International Nuclear Information System (INIS)

Bromley, M.W.J.; Mitroy, J.

2006-01-01

The configuration interaction method is applied to investigate the possibility of positron binding to the metastable beryllium (1s 2 2s2p 3 P ) state. The largest calculation obtained an estimated energy that was unstable by 0.00014 Hartree with respect to the Ps + Be + (2s) lowest dissociation channel. It is likely that positron binding to parent states with non-zero angular momentum is inhibited by centrifugal barriers

Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

Science.gov (United States)

Tubman, Norm; Whaley, Birgitta

The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

Relativistic configuration-interaction calculation of the correlation energies of heliumlike ions. Revision 1

International Nuclear Information System (INIS)

Cheng, K.T.; Chen, M.H.; Johnson, W.R.

1994-04-01

A new relativistic configuration-interaction (CI) method using B-spline basis functions has been developed to study the correlation energies of two-electron heliumlike ions. Based on the relativistic no-pair Hamiltonian, the CI equation leads to a symmetric eigenvalue problem involving large, dense matrices. Davidson's method is used to obtain the lowest few eigenenergies and eigenfunctions. Results on transition energies and finite structure splittings for heliumlike ions are in very good agreement with experiment throughout the periodic table

Variational configuration interaction methods and comparison with perturbation theory

International Nuclear Information System (INIS)

Pople, J.A.; Seeger, R.; Krishnan, R.

1977-01-01

A configuration interaction (CI) procedure which includes all single and double substitutions from an unrestricted Hartree-Fock single determinant is described. This has the feature that Moller-Plesset perturbation results to second and third order are obtained in the first CI iterative cycle. The procedure also avoids the necessity of a full two-electron integral transformation. A simple expression for correcting the final CI energy for lack of size consistency is proposed. Finally, calculations on a series of small molecules are presented to compare these CI methods with perturbation theory

Electric dipole moment of diatomic molecules by configuration interaction. IV.

Science.gov (United States)

Green, S.

1972-01-01

The theory of basis set dependence in configuration interaction calculations is discussed, taking into account a perturbation model which is valid for small changes in the self-consistent field orbitals. It is found that basis set corrections are essentially additive through first order. It is shown that an error found in a previously published dipole moment calculation by Green (1972) for the metastable first excited state of CO was indeed due to an inadequate basis set as claimed.

Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

Science.gov (United States)

Shao, Meiyue; Aktulga, H. Metin; Yang, Chao; Ng, Esmond G.; Maris, Pieter; Vary, James P.

2018-01-01

We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the eigenvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem which we discuss in detail. The use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. We also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers, and demonstrate that the new block iterative solver is two to three times faster than the Lanczos based algorithm for problems of moderate sizes on a Cray XC30 system.

Effects of configuration interaction on photoabsorption spectra in the continuum

International Nuclear Information System (INIS)

Komninos, Yannis; Nicolaides, Cleanthes A.

2004-01-01

It is pointed out that the proper interpretation of a recently published experimental spectrum from the multilaser photoionization of Sr [Eichmann et al., Phys. Rev. Lett. 90, 233004 (2003)] must account for a radiative transition between two autoionizing states. The application of orthonormality selection rules and of configuration-interaction theory involving the continuous spectrum and the quasicontinuum of the upper part of Rydberg series explains quantitatively the appearance, the shape, and the variation of heights of the observed peaks of resonances

Criticality in the configuration-mixed interacting boson model: (1) U(5)-Q(χ)Q(χ) mixing

International Nuclear Information System (INIS)

Hellemans, V.; Van Isacker, P.; De Baerdemacker, S.; Heyde, K.

2007-01-01

The case of U(5)-Q(χ)Q(χ) mixing in the configuration-mixed interacting boson model is studied in its mean-field approximation. Phase diagrams with analytical and numerical solutions are constructed and discussed. Indications for first-order and second-order shape phase transitions can be obtained from binding energies and from critical exponents, respectively

CONFIGURATION-INTERACTION IN NI METAL AND NI-ALLOYS AND HIGH-ENERGY SPECTROSCOPY

NARCIS (Netherlands)

TANAKA, A; JO, T; SAWATZKY, GA

We discuss the electronic state of Ni atoms in Ni metal and of Ni impurity in Cu and Au metals from the viewpoint of 3d configuration interaction (CI) using the Anderson impurity model including atomic multiplets. On the basis of the discussion, we give an interpretation for the Ni 2p-core X-ray

Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations. Volume 2: Wind tunnel test force and moment data report

Science.gov (United States)

Zilz, D. E.

1985-01-01

A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 2 of 2: Wind Tunnel Test Force and Moment Data Report.

Large-scale ab initio configuration interaction calculations for light nuclei

International Nuclear Information System (INIS)

Maris, Pieter; Potter, Hugh; Vary, James P; Aktulga, H Metin; Ng, Esmond G; Yang Chao; Caprio, Mark A; Çatalyürek, Ümit V; Saule, Erik; Oryspayev, Dossay; Sosonkina, Masha; Zhou Zheng

2012-01-01

In ab-initio Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions and the many-body Schrodinger equation becomes a large sparse matrix problem. The challenge is to reach numerical convergence to within quantified numerical uncertainties for physical observables using finite truncations of the infinite-dimensional basis space. We discuss strategies for constructing and solving the resulting large sparse matrix eigenvalue problems on current multicore computer architectures. Several of these strategies have been implemented in the code MFDn, a hybrid MPI/OpenMP Fortran code for ab-initio nuclear structure calculations that can scale to 100,000 cores and more. Finally, we will conclude with some recent results for 12 C including emerging collective phenomena such as rotational band structures using SRG evolved chiral N3LO interactions.

Optical spectroscopy and system–bath interactions in molecular aggregates with full configuration interaction Frenkel exciton model

Energy Technology Data Exchange (ETDEWEB)

Seibt, Joachim; Sláma, Vladislav; Mančal, Tomáš, E-mail: mancal@karlov.mff.cuni.cz

2016-12-20

Highlights: • Standard Frenkel exciton model is extended to include inter-band coupling. • It is formally linked with configuration interaction method of quantum chemistry. • Spectral shifts due to inter-band coupling are found in molecular aggregates. • Effects of peak amplitude redistribution in two-dimensional spectra are found. - Abstract: Standard application of the Frenkel exciton model neglects resonance coupling between collective molecular aggregate states with different number of excitations. These inter-band coupling terms are, however, of the same magnitude as the intra-band coupling between singly excited states. We systematically derive the Frenkel exciton model from quantum chemical considerations, and identify it as a variant of the configuration interaction method. We discuss all non-negligible couplings between collective aggregate states, and provide compact formulae for their calculation. We calculate absorption spectra of molecular aggregate of carotenoids and identify significant band shifts as a result of inter-band coupling. The presence of inter-band coupling terms requires renormalization of the system–bath coupling with respect to standard formulation, but renormalization effects are found to be weak. We present detailed discussion of molecular dimer and calculate its time-resolved two-dimensional Fourier transformed spectra to find weak but noticeable effects of peak amplitude redistribution due to inter-band coupling.

Configuration interaction calculations of positron binding to Be({sup 3}P )

Energy Technology Data Exchange (ETDEWEB)

Bromley, M.W.J. [Department of Physics, San Diego State University, San Diego, CA 92182 (United States)]. E-mail: mbromley@physics.sdsu.edu; Mitroy, J. [Faculty of Technology, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jxm107@rsphysse.anu.edu.au

2006-06-15

The configuration interaction method is applied to investigate the possibility of positron binding to the metastable beryllium (1s{sup 2}2s2p {sup 3}P ) state. The largest calculation obtained an estimated energy that was unstable by 0.00014 Hartree with respect to the Ps + Be{sup +}(2s) lowest dissociation channel. It is likely that positron binding to parent states with non-zero angular momentum is inhibited by centrifugal barriers.

Study of operational risk-based configuration control

Energy Technology Data Exchange (ETDEWEB)

Vesely, W E [Science Applications International Corp., Dublin, OH (United States); Samanta, P K; Kim, I S [Brookhaven National Lab., Upton, NY (United States)

1991-08-01

This report studies aspects of a risk-based configuration control system to detect and control plant configurations from a risk perspective. Configuration control, as the term is used here, is the management of component configurations to achieve specific objectives. One important objective is to control risk and safety. Another is to operate efficiently and make effective use of available resources. PSA-based evaluations are performed to study configuration to core-melt frequency and core-melt probability for two plants. Some equipment configurations can cause large core-melt frequency and there are a number of such configurations that are not currently controlled by technical specifications. However, the expected frequency of occurrence of the impacting configurations is small and the core-melt probability contributions are also generally small. The insights from this evaluation are used to develop the framework for an effective risk-based configuration control system. The focal points of such a system and the requirements for tools development for implementing the system are defined. The requirements of risk models needed for the system, and the uses of plant-specific data are also discussed. 18 refs., 25 figs., 10 tabs.

Nuclear structure calculations in $^{20}$Ne with No-Core Configuration-Interaction model

OpenAIRE

Konieczka, Maciej; Satuła, Wojciech

2016-01-01

Negative parity states in $^{20}$Ne and Gamow-Teller strength distribution for the ground-state beta-decay of $^{20}$Na are calculated for the very first time using recently developed No-Core Configuration-Interaction model. The approach is based on multi-reference density functional theory involving isospin and angular-momentum projections. Advantages and shortcomings of the method are briefly discussed.

Configuration Management

International Nuclear Information System (INIS)

Morcos, A.; Taylor, H. S.

1989-01-01

This paper will briefly discuss the reason for and content of configuration management both for new plants and, when adapted, for older plants. It will then address three types of activities a utility may undertake as part of a nuclear CAM program and with which Sargent and Leyden has been actively involved. The first activity is a methodology for preparing design-basis documentation. The second is the identification of essential data required to be kept by the utility in support of the operation of a nuclear plant. The third activity is a computerized classification system of plant components, allowing ready identification of plant functional and physical characteristics. Plant configuration documentation describes plant components, the ways they arranged to interact, and the ways they are enabled to interact. Configuration management, on the other hand, is more than the control of such documentation. It is a dynamic process for ensuring that a plant configuration meets all relevant requirements for safety and economy, even while the configuration changes and even while the requirements change. Configuration management for a nuclear plant is so complex that it must be implemented in phases and modules. It takes advantage of and integrates existing programs. Managing complexity and streamlining the change process become important additional objectives of configuration management. The example activities fulfill essential goals of an overall CAM program: definition of design baseline, definition of essential plant data, and classification of plant components

Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units.

Science.gov (United States)

Fales, B Scott; Levine, Benjamin G

2015-10-13

Methods based on a full configuration interaction (FCI) expansion in an active space of orbitals are widely used for modeling chemical phenomena such as bond breaking, multiply excited states, and conical intersections in small-to-medium-sized molecules, but these phenomena occur in systems of all sizes. To scale such calculations up to the nanoscale, we have developed an implementation of FCI in which electron repulsion integral transformation and several of the more expensive steps in σ vector formation are performed on graphical processing unit (GPU) hardware. When applied to a 1.7 × 1.4 × 1.4 nm silicon nanoparticle (Si72H64) described with the polarized, all-electron 6-31G** basis set, our implementation can solve for the ground state of the 16-active-electron/16-active-orbital CASCI Hamiltonian (more than 100,000,000 configurations) in 39 min on a single NVidia K40 GPU.

Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.

Science.gov (United States)

Green, S.

1972-01-01

Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.

Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom

Energy Technology Data Exchange (ETDEWEB)

Bross, David H.; Parmar, Payal; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

2015-11-14

The first 6 ionization potentials (IPs) of the uranium atom have been calculated using multireference configuration interaction (MRCI+Q) with extrapolations to the complete basis set limit using new all-electron correlation consistent basis sets. The latter was carried out with the third-order Douglas-Kroll-Hess Hamiltonian. Correlation down through the 5s5p5d electrons has been taken into account, as well as contributions to the IPs due to the Lamb shift. Spin-orbit coupling contributions calculated at the 4-component Kramers restricted configuration interaction level, as well as the Gaunt term computed at the Dirac-Hartree-Fock level, were added to the best scalar relativistic results. The final ionization potentials are expected to be accurate to at least 5 kcal/mol (0.2 eV) and thus more reliable than the current experimental values of IP{sub 3} through IP{sub 6}.

Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei

International Nuclear Information System (INIS)

Horoi, M.; Gour, J. R.; Wloch, M.; Lodriguito, M. D.; Brown, B. A.; Piecuch, P.

2007-01-01

We compare coupled-cluster (CC) and configuration-interaction (CI) results for 56 Ni obtained in the pf-shell basis, focusing on practical CC approximations that can be applied to systems with dozens or hundreds of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f 7/2 orbit and the f 5/2 , p 3/2 , p 1/2 orbits. Independent of the gap, the CC method with 1p-1h and 2p-2h clusters and a noniterative treatment of 3p-3h clusters is as accurate as the more demanding CI approach truncated at the 4p-4h level

Network configuration of global R&D networks

DEFF Research Database (Denmark)

Hansen, Zaza Nadja Lee; Srai, Jagjit Singh

2011-01-01

, network configuration of global R&D has tended to focus on strategic elements with limited attention given operational effectiveness, or to interfaces with downstream manufacturing operations. Within OM literature, the drivers of configuration of global networks within, engineering, production, supply...... to R&D networks emerged, e.g. product features were more prominent in R&D networks. Furthermore, the study has shown extensive interaction with other operations, including many downstream manufacturing operations. By extending the OM configuration concepts to the configuration of R&D networks......Companies are increasingly globalising their R&D activities, both within the firms and with external partners, with consequent implications for their interaction with manufacturing operations. Previous research in R&D networks has focused on coordination, governance and support elements. However...

An excited-state approach within full configuration interaction quantum Monte Carlo

International Nuclear Information System (INIS)

Blunt, N. S.; Smart, Simon D.; Booth, George H.; Alavi, Ali

2015-01-01

We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distributions of walkers, to orthogonalize higher energy states against lower energy ones. It can thus be used to study several of the lowest-energy states of a system within the same symmetry. This additional step is particularly simple and computationally inexpensive, requiring only a small change to the underlying FCIQMC algorithm. No trial wave functions or partitioning of the space is needed. The approach should allow excited states to be studied for systems similar to those accessible to the ground-state method due to a comparable computational cost. As a first application, we consider the carbon dimer in basis sets up to quadruple-zeta quality and compare to existing results where available

Relativistic configuration-interaction calculations of electric dipole n=2−n=3 transitions for medium-charge Li-like ions

Energy Technology Data Exchange (ETDEWEB)

Deng, Banglin, E-mail: banglindeng@yahoo.cn [Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, Sichuan (China); Jiang, Gang [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Sichuan (China); Zhang, Chuanyu [Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, Sichuan (China)

2014-09-15

In this work, the multi-configuration Dirac–Fock and relativistic configuration-interaction methods have been used to calculate the transition wavelengths, electric dipole transition probabilities, line strengths, and absorption oscillator strengths for the 2s–3p, 2p–3s, and 2p–3d transitions in Li-like ions with nuclear charge Z=7–30. Our calculated values are in good agreement with previous experimental and theoretical results. We took the contributions from Breit interaction, finite nuclear mass corrections, and quantum electrodynamics corrections to the initial and final levels into account, and also found that the contributions from Breit interaction, self-energy, and vacuum polarization grow fast with increasing nuclear charge for a fixed configuration. The ratio of the velocity to length form of the transition rate (A{sub v}/A{sub l}) was used to estimate the accuracy of our calculations.

Hylleraas-Configuration Interaction study of the 1S ground state of the negative Li ion.

Science.gov (United States)

Sims, James S

2017-12-28

In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1 S ground states of the beryllium isoelectronic sequence. The Li - ion, nominally the first member of this series, has a decidedly different electronic structure. This paper reports the results of a large, comparable calculation for the Li - ground state to explore how well the Hy-CI method can represent the more diffuse L shell of Li - which is representative of the Be(2sns) excited states as well. The best non-relativistic energy obtained was -7.500 776 596 hartree, indicating that 10 - 20 nh accuracy is attainable in Hy-CI and that convergence of the r 12 r 34 double cusp is fast and that this correlation type can be accurately represented within the Hy-CI model.

Configuration interaction calculations for the region of 76Ge

Science.gov (United States)

Brown, Alex

2017-09-01

I will present a short history of the configuration interaction Hamiltonians that have been developed for the (0f5 / 2 , 1p3 / 2 , 1p1 / 2 , 0g9 / 2) (jj 44) model space. This model space is appropriate for the region of nuclei bounded by the nickel isotopes for Z = 28 and the isotones with N = 50 . I will discuss results for the double-beta decay of 76Ge that lies in the jj 44 region. I will show results for the structure of nuclei around 76Ge for some selected data from gamma decay, Gamow-Teller beta decay, charge-exchange reactions, one-nucleon transfer reactions, and two-nucleon transfer reactions. This work was supported by NSF Grant PHY-1404442.

Accelerating Full Configuration Interaction Calculations for Nuclear Structure

International Nuclear Information System (INIS)

Yang, Chao; Sternberg, Philip; Maris, Pieter; Ng, Esmond; Sosonkina, Masha; Le, Hung Viet; Vary, James; Yang, Chao

2008-01-01

One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and corresponding eigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions

Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectra

Science.gov (United States)

Garnier, Romain; Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

2016-05-01

A new variational algorithm called adaptive vibrational configuration interaction (A-VCI) intended for the resolution of the vibrational Schrödinger equation was developed. The main advantage of this approach is to efficiently reduce the dimension of the active space generated into the configuration interaction (CI) process. Here, we assume that the Hamiltonian writes as a sum of products of operators. This adaptive algorithm was developed with the use of three correlated conditions, i.e., a suitable starting space, a criterion for convergence, and a procedure to expand the approximate space. The velocity of the algorithm was increased with the use of a posteriori error estimator (residue) to select the most relevant direction to increase the space. Two examples have been selected for benchmark. In the case of H2CO, we mainly study the performance of A-VCI algorithm: comparison with the variation-perturbation method, choice of the initial space, and residual contributions. For CH3CN, we compare the A-VCI results with a computed reference spectrum using the same potential energy surface and for an active space reduced by about 90%.

Contextual interactions in grating plaid configurations are explained by natural image statistics and neural modeling

Directory of Open Access Journals (Sweden)

Udo Alexander Ernst

2016-10-01

Full Text Available Processing natural scenes requires the visual system to integrate local features into global object descriptions. To achieve coherent representations, the human brain uses statistical dependencies to guide weighting of local feature conjunctions. Pairwise interactions among feature detectors in early visual areas may form the early substrate of these local feature bindings. To investigate local interaction structures in visual cortex, we combined psychophysical experiments with computational modeling and natural scene analysis. We first measured contrast thresholds for 2x2 grating patch arrangements (plaids, which differed in spatial frequency composition (low, high or mixed, number of grating patch co-alignments (0, 1 or 2, and inter-patch distances (1° and 2° of visual angle. Contrast thresholds for the different configurations were compared to the prediction of probability summation (PS among detector families tuned to the four retinal positions. For 1° distance the thresholds for all configurations were larger than predicted by PS, indicating inhibitory interactions. For 2° distance, thresholds were significantly lower compared to PS when the plaids were homogeneous in spatial frequency and orientation, but not when spatial frequencies were mixed or there was at least one misalignment. Next, we constructed a neural population model with horizontal laminar structure, which reproduced the detection thresholds after adaptation of connection weights. Consistent with prior work, contextual interactions were medium-range inhibition and long-range, orientation-specific excitation. However, inclusion of orientation-specific, inhibitory interactions between populations with different spatial frequency preferences were crucial for explaining detection thresholds. Finally, for all plaid configurations we computed their likelihood of occurrence in natural images. The likelihoods turned out to be inversely related to the detection thresholds obtained

Isotope shift and configuration interaction in U I

International Nuclear Information System (INIS)

King, W.H.

1979-01-01

Recent calculations by Rajnak and Fred (J. Opt. Soc. Am.; 67:1314 (1977)) show that the transitions studied by Gagne et al (J. Opt. Soc. Am.; 66:1415 (1976)) have upper levels of mixed configurations. The amount of mixing and the probability of mass shifts due to 5f electrons is discussed. (author)

Configuration interaction in charge exchange spectra of tin and xenon

Science.gov (United States)

D'Arcy, R.; Morris, O.; Ohashi, H.; Suda, S.; Tanuma, H.; Fujioka, S.; Nishimura, H.; Nishihara, K.; Suzuki, C.; Kato, T.; Koike, F.; O'Sullivan, G.

2011-06-01

Charge-state-specific extreme ultraviolet spectra from both tin ions and xenon ions have been recorded at Tokyo Metropolitan University. The electron cyclotron resonance source spectra were produced from charge exchange collisions between the ions and rare gas target atoms. To identify unknown spectral lines of tin and xenon, atomic structure calculations were performed for Sn14+-Sn17+ and Xe16+-Xe20+ using the Hartree-Fock configuration interaction code of Cowan (1981 The Theory of Atomic Structure and Spectra (Berkeley, CA: University of California Press)). The energies of the capture states involved in the single-electron process that occurs in these slow collisions were estimated using the classical over-barrier model.

Configuration Studies and Recommendations for the ILC Damping Rings

International Nuclear Information System (INIS)

Wolski, Andrzej; Gao, Jie; Guiducci, Susanna

2006-01-01

We describe the results of studies comparing different options for the baseline configuration of the ILC damping rings. The principal configuration decisions apply to the circumference, beam energy, lattice type, and technology options for key components, including the injection/extraction kickers and the damping wigglers. To arrive at our recommended configuration, we performed detailed studies of a range of lattices representing a variety of different configuration options; these lattices are described in Chapter 2. The results of the various studies are reported in chapters covering issues of beam dynamics, technical subsystems, costs, and commissioning, reliability and upgrade ability. Our detailed recommendations for the baseline configuration are given in Chapter 7, where we also outline further research and development that is needed before a machine using our recommended configuration can be built and operated successfully. In the same chapter, we suggest possible alternatives to the baseline configuration

Non-orthogonal configuration interaction for the calculation of multielectron excited states

Energy Technology Data Exchange (ETDEWEB)

Sundstrom, Eric J., E-mail: eric.jon.sundstrom@berkeley.edu; Head-Gordon, Martin [Department of Chemistry, University of California Berkeley, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2014-03-21

We apply Non-orthogonal Configuration Interaction (NOCI) to molecular systems where multielectron excitations, in this case double excitations, play a substantial role: the linear polyenes and β-carotene. We demonstrate that NOCI when applied to systems with extended conjugation, provides a qualitatively correct wavefunction at a fraction of the cost of many other multireference treatments. We also present a new extension to this method allowing for purification of higher-order spin states by utilizing Generalized Hartree-Fock Slater determinants and the details for computing 〈S{sup 2}〉 for the ground and excited states.

Criticality in the configuration-mixed interacting boson model (1) $U(5)-\\hat{Q}(\\chi)\\cdot\\hat{Q}(\\chi)$ mixing

CERN Document Server

Hellemans, V; De Baerdemacker, S; Heyde, K

2008-01-01

The case of U(5)--$\\hat{Q}(\\chi)\\cdot\\hat{Q}(\\chi)$ mixing in the configuration-mixed Interacting Boson Model is studied in its mean-field approximation. Phase diagrams with analytical and numerical solutions are constructed and discussed. Indications for first-order and second-order shape phase transitions can be obtained from binding energies and from critical exponents, respectively.

High-precision, systematic study of hyperfine structure in the 4f/sup N/6s2 configuration of the neutral rare earths

International Nuclear Information System (INIS)

Childs, W.J.; Goodman, L.S.; Pfeufer, V.

1983-01-01

Although the hyperfine structure (hfs) of many-electron atoms has been studied intensively in recent years, it is still difficult to distinguish between the competing effects of relativity and configuration interaction. The 4f/sup N/6s 2 configuration of the neutral rare earths is of particular interest because (a) the low-lying terms are relatively free of configuration interaction, and (b) trends can be examined systematically as one proceeds through the long 4f-shell. The procedure is to deduce, from the measured hfs constants of low levels, the underlying hyperfine radial integrals for comparison with ab initio predictions. Since some of these integrals are extremely sensitive to any configuration interaction and others are not, it is possible to determine both the extent and type of configuration interaction present in some cases. Prior to the start of the present research no precise hfs information existed for the entire second half of the 4f shell of the rare earths. The present measurements were designed both to provide such data and to make possible a systematic study of the hfs throughout the 4f shell. The atomic-beam, laser-rf, double-resonance method was used for the measurements. With this technique, the occurrence of a radiofrequency transition between atomic hfs levels is detected by noting an increase in the laser-induced fluorescence

Critical comparison between equation of motion-Green's function methods and configuration interaction methods: analysis of methods and applications

International Nuclear Information System (INIS)

Freed, K.F.; Herman, M.F.; Yeager, D.L.

1980-01-01

A description is provided of the common conceptual origins of many-body equations of motion and Green's function methods in Liouville operator formulations of the quantum mechanics of atomic and molecular electronic structure. Numerical evidence is provided to show the inadequacies of the traditional strictly perturbative approaches to these methods. Nonperturbative methods are introduced by analogy with techniques developed for handling large configuration interaction calculations and by evaluating individual matrix elements to higher accuracy. The important role of higher excitations is exhibited by the numerical calculations, and explicit comparisons are made between converged equations of motion and configuration interaction calculations for systems where a fundamental theorem requires the equality of the energy differences produced by these different approaches. (Auth.)

Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo.

Science.gov (United States)

Vigor, W A; Spencer, J S; Bearpark, M J; Thom, A J W

2016-03-07

Within full configuration interaction quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per particle sampling the space and per time step and show there is a sizeable parameter regime where this is minimised. We find that this inefficiency increases sublinearly with Hilbert space size and can be reduced by localising the canonical Hartree-Fock molecular orbitals, suggesting that the choice of basis impacts the method beyond that of the sign problem.

Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Vigor, W. A.; Bearpark, M. J. [Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Spencer, J. S. [Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Thom, A. J. W. [Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

2016-03-07

Within full configuration interaction quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per particle sampling the space and per time step and show there is a sizeable parameter regime where this is minimised. We find that this inefficiency increases sublinearly with Hilbert space size and can be reduced by localising the canonical Hartree–Fock molecular orbitals, suggesting that the choice of basis impacts the method beyond that of the sign problem.

Interaction potentials for multiquark states from instantons and other background gauge field configurations

International Nuclear Information System (INIS)

Warner, R.C.; Joshi, G.C.

1979-01-01

A simple rule is presented for calculating the contributions to the interaction potentials between constituent particles for a family of multiquark states, due to the presence of a semi-classical gauge field configuration which exists in a single SU(2) subgroup of colour SU(3). In multiquark states beyond the baryon many-body potential terms are found. The static (Wilson loop) limit is sufficient to elucidate the dependence of the potential on the colour structure of the multiquark state

Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

Energy Technology Data Exchange (ETDEWEB)

Arulmozhiraja, Sundaram, E-mail: raja@cat.hokudai.ac.jp; Coote, Michelle L. [ARC Centre of Excellence for Electromaterials Science, Research School of Chemistry, The Australian National University, Canberra, 2601 ACT (Australia); Hasegawa, Jun-ya [Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-Ku, Sapporo 001-0021 (Japan)

2015-11-28

Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

Large-scale parallel configuration interaction. I. Nonrelativisticand scalar-relativistic general active space implementationwith application to (Rb-Ba)+

DEFF Research Database (Denmark)

Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

2008-01-01

We present a parallel implementation of a string-driven general active space configuration interaction program for nonrelativistic and scalar-relativistic electronic-structure calculations. The code has been modularly incorporated in the DIRAC quantum chemistry program package. The implementation...

A sparse matrix based full-configuration interaction algorithm

International Nuclear Information System (INIS)

Rolik, Zoltan; Szabados, Agnes; Surjan, Peter R.

2008-01-01

We present an algorithm related to the full-configuration interaction (FCI) method that makes complete use of the sparse nature of the coefficient vector representing the many-electron wave function in a determinantal basis. Main achievements of the presented sparse FCI (SFCI) algorithm are (i) development of an iteration procedure that avoids the storage of FCI size vectors; (ii) development of an efficient algorithm to evaluate the effect of the Hamiltonian when both the initial and the product vectors are sparse. As a result of point (i) large disk operations can be skipped which otherwise may be a bottleneck of the procedure. At point (ii) we progress by adopting the implementation of the linear transformation by Olsen et al. [J. Chem Phys. 89, 2185 (1988)] for the sparse case, getting the algorithm applicable to larger systems and faster at the same time. The error of a SFCI calculation depends only on the dropout thresholds for the sparse vectors, and can be tuned by controlling the amount of system memory passed to the procedure. The algorithm permits to perform FCI calculations on single node workstations for systems previously accessible only by supercomputers

Configuration interaction calculations and excitation rates of X-ray and EUV transitions in sulfurlike manganese

Energy Technology Data Exchange (ETDEWEB)

El-Maaref, A.A., E-mail: ahmed.maaref@azhar.edu.eg; Saddeek, Y.B.; Abou halaka, M.M.

2017-02-15

Highlights: • Fine-structure calculations of sulfurlike Mn have been performed using configuration interaction technique, CI. • The relativistic effects, Breit-Pauli Hameltonian, have been correlated to the CI calculations. • Excitation rates by electron impact of the Mn X ion have been evaluated up to ionization potential. - Abstract: Fine-structure calculations of energies and transition parameters have been performed using the configuration interaction technique (CI) as implemented in CIV3 code for sulfurlike manganese, Mn X. The calculations are executed in an intermediate coupling scheme using the Breit-Pauli Hamiltonian. As well as, energy levels and oscillator strengths are calculated using LANL code, where the calculations by LANL have been used to estimate the accuracy of the present CI calculations. The calculated energy levels, oscillator strengths, and lifetimes are in reasonable agreement with the published experimental and theoretical values. Electron impact excitation rates of the transitions emit soft X-ray and extreme ultraviolet (EUV) wavelengths have been evaluated. The level population densities are calculated using the collisional radiative model (CRM), as well. The collisional excitation rates and collision strengths have been calculated in the electron temperature range ≤ the ionization potential, ∼1–250 eV.

Computational parametric study of an impinging jet in a cross-flow configuration for electronics cooling applications

International Nuclear Information System (INIS)

Larraona, Gorka S.; Rivas, Alejandro; Antón, Raúl; Ramos, Juan Carlos; Pastor, Ignacio; Moshfegh, Bahram

2013-01-01

A parametric study based on design of experiments (DoE) techniques was carried out by computational simulation in order to evaluate the effect that design parameters have on heat transfer and pressure loss of an impinging jet in a cross-flow configuration. The main effects of each parameter and the interactions between parameters were analyzed in detail through the Response Surface Methodology (RSM). Additionally, the potential of the impinging jet in a cross-flow configuration was assessed by calculating the optimal values of the parameters and comparing the cooling efficiency of the resulting configuration with the efficiency of the conventional cross-flow configuration. It was found that the degree to which the average heat transfer coefficient is enhanced as the result of adding an impinging jet depends on the height of the cooled component. Specifically, it was found that the higher the component, the more significant the enhancement. -- Highlights: ► Five design parameters of an impinging jet in a cross-flow (IJCF) have been considered. ► Channel and jet velocities are found to be the most influential parameters. ► Significant interactions exist between some of the parameters. ► Larger cooling efficiency is achieved with the IJCF compared to the cross-flow solely. ► The enhancement obtained with the IJCF depends on the height of the component

Numerical study of spherical Torus MHD equilibrium configuration

International Nuclear Information System (INIS)

Cheng Faying; Dong Jiaqi; Wang Aike

2003-01-01

Tokamak equilibrium code SWEQU has been modified so that it can be used for the MHD equilibrium study of low aspect ratio device. Evolution of plasma configuration in start-up phase and double-null divertor configuration in steady-state phase has been simulated using the modified code. Results show that the new code can be used not only to obtain the equilibrium configuration of spherical Torus in steady-state phase, but also to simulate the evolution of plasma in the start-up phase

Configuring the development space for conceptualization

DEFF Research Database (Denmark)

Brønnum, Louise; Clausen, Christian

2013-01-01

This paper addresses issues of conceptualization in the early stages of concept development noted as the Front End of Innovation [FEI]. We examine this particular development space as a socio technical space where a diversity of technological knowledge, user perspectives and organizational agendas...... meet and interact. Based on a case study from an industrial medical company, the paper addresses and analyses the configuration of the development space in a number of projects aiming to take up user oriented perspectives in their activities. It presents insights on how the FEI was orchestrated...... and staged and how different elements and objects contributed to the configuration of the space in order to make it perform in a certain way. The analysis points at the importance of the configuration processes and indicate how these configurations often may act as more or less hidden limitations on concept...

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

DEFF Research Database (Denmark)

Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

2008-01-01

Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

Fish-robot interactions in a free-swimming environment: Effects of speed and configuration of robots on live fish

Science.gov (United States)

Butail, Sachit; Polverino, Giovanni; Phamduy, Paul; Del Sette, Fausto; Porfiri, Maurizio

2014-03-01

We explore fish-robot interactions in a comprehensive set of experiments designed to highlight the effects of speed and configuration of bioinspired robots on live zebrafish. The robot design and movement is inspired by salient features of attraction in zebrafish and includes enhanced coloration, aspect ratio of a fertile female, and carangiform/subcarangiformlocomotion. The robots are autonomously controlled to swim in circular trajectories in the presence of live fish. Our results indicate that robot configuration significantly affects both the fish distance to the robots and the time spent near them.

Theoretical studies of molecular interactions

Energy Technology Data Exchange (ETDEWEB)

Lester, W.A. Jr. [Univ. of California, Berkeley (United States)

1993-12-01

This research program is directed at extending fundamental knowledge of atoms and molecules including their electronic structure, mutual interaction, collision dynamics, and interaction with radiation. The approach combines the use of ab initio methods--Hartree-Fock (HF) multiconfiguration HF, configuration interaction, and the recently developed quantum Monte Carlo (MC)--to describe electronic structure, intermolecular interactions, and other properties, with various methods of characterizing inelastic and reaction collision processes, and photodissociation dynamics. Present activity is focused on the development and application of the QMC method, surface catalyzed reactions, and reorientation cross sections.

Global characteristics of atomic spectra and their use for the analysis of spectra. IV. Configuration interaction effects

International Nuclear Information System (INIS)

Kucas, S.; Jonauskas, V.; Karazija, R.

1997-01-01

For pt.III see ibid., vol.52, p.639, 1995. Changes of the moments of atomic spectrum due to configuration interaction (CI), the CI strength, the average shift of the energy of a level due to its interaction with all levels of distant configuration and other global characteristics of CI effects in atoms are systematised and their expressions presented. The results of the calculation of those characteristics for the energy level spectra of the 3s3p 3 + 3s 2 3p3d configurations in Si isoelectronic series, 3p 5 3d N + 3p 6 3d N-2 4p + 3p 6 3d N-2 4f (N = 5, 6, 7, 8) in Cr, Mn, Fe and Co isoelectronic series, ns 2 np N + np N+2 at n = 2 - 5 and N = 2 - 4 in neutral atoms as well as for the characteristic emission spectra corresponding to the 3p 5 3d 9 + 3d 7 4p → 3d 8 transitions as well as for the Auger M 4.3 N 1 N 2.3 spectra in Kr and N 4.5 O 1 O 2.3 in Xe are given and compared with the same characteristics of the more complete experimental spectra. (orig.)

Comparison of fully internally and strongly contracted multireference configuration interaction procedures

Science.gov (United States)

Sivalingam, Kantharuban; Krupicka, Martin; Auer, Alexander A.; Neese, Frank

2016-08-01

Multireference (MR) methods occupy an important class of approaches in quantum chemistry. In many instances, for example, in studying complex magnetic properties of transition metal complexes, they are actually the only physically satisfactory choice. In traditional MR approaches, single and double excitations are performed with respect to all reference configurations (or configuration state functions, CSFs), which leads to an explosive increase of computational cost for larger reference spaces. This can be avoided by the internal contraction scheme proposed by Meyer and Siegbahn, which effectively reduces the number of wavefunction parameters to their single-reference counterpart. The "fully internally contracted" scheme (FIC) is well known from the popular CASPT2 approach. An even shorter expansion of the wavefunction is possible with the "strong contraction" (SC) scheme proposed by Angeli and Malrieu in their NEVPT2 approach. Promising multireference configuration interaction formulations (MRCI) employing internal contraction and strong contraction have been reported by several authors. In this work, we report on the implementation of the FIC-MRCI and SC-MRCI methodologies, using a computer assisted implementation strategy. The methods are benchmarked against the traditional uncontracted MRCI approach for ground and excited states of small molecules (N2, O2, CO, CO+, OH, CH, and CN). For ground states, the comparison includes the "partially internally contracted" MRCI based on the Celani-Werner ansatz (PC-MRCI). For the three contraction schemes, the average errors range from 2% to 6% of the uncontracted MRCI correlation energies. Excitation energies are reproduced with ˜0.2 eV accuracy. In most cases, the agreement is better than 0.2 eV, even in cases with very large differential correlation contributions as exemplified for the d-d and ligand-to-metal charge transfer transitions of a Cu [NH 3 ] 4 2 + model complex. The benchmark is supplemented with the

Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

Energy Technology Data Exchange (ETDEWEB)

Schriber, Jeffrey B.; Evangelista, Francesco A. [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

2016-04-28

We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse grained until self-consistency. Two importance criteria control the selection process and tune the ACI to a user-defined level of accuracy. The ACI is shown to yield potential energy curves of N{sub 2} with nearly constant errors, and it predicts singlet-triplet splittings of acenes up to decacene that are in good agreement with the density matrix renormalization group.

Multireference configuration interaction study on spectroscopic properties of low-lying electronic states of As2 molecule

International Nuclear Information System (INIS)

Wang Jie-Min; Liu Qiang

2013-01-01

The potential energy curves (PECs) of four electronic states (X 1 Σ g + , e 3 Δ u , a 3 Σ u − , and d 3 Π g ) of an As 2 molecule are investigated employing the complete active space self-consistent field (CASSCF) method followed by the valence internally contracted multireference configuration interaction (MRCI) approach in conjunction with the correlation-consistent aug-cc-pV5Z basis set. The effect on PECs by the relativistic correction is taken into account. The way to consider the relativistic correction is to employ the second-order Douglas-Kroll Hamiltonian approximation. The correction is made at the level of a cc-pV5Z basis set. The PECs of the electronic states involved are extrapolated to the complete basis set limit. With the PECs, the spectroscopic parameters (T e , R e , ω e , ω e x e , ω e y e , α e , β e , γ e , and B e ) of these electronic states are determined and compared in detail with those reported in the literature. Excellent agreement is found between the present results and the experimental data. The first 40 vibrational states are studied for each electronic state when the rotational quantum number J equals zero. In addition, the vibrational levels, inertial rotation and centrifugal distortion constants of d 3 Π g electronic state are reported which are in excellent agreement with the available measurements. Comparison with the experimental data shows that the present results are both reliable and accurate. (atomic and molecular physics)

Study on Resource Configuration on Cloud Manufacturing

Directory of Open Access Journals (Sweden)

Yanlong Cao

2015-01-01

Full Text Available The purpose of manufacturing is to realize the requirement of customer. In manufacturing process of cloud system, there exist a lot of resource services which have similar functional characteristics to realize the requirement. It makes the manufacturing process more diverse. To develop the quality and reduce cost, a resource configuration model on cloud-manufacturing platform is put forward in this paper. According to the generalized six-point location principle, a growth design from the requirement of customers to entities with geometric constraints is proposed. By the requirement growing up to product, a configuration process is used to match the entities with the instances which the resources in the database could supply. Different from most existing studies, this paper studies the tolerance design with multiple candidate resource suppliers on cloud manufacturing to make the market play a two-level game considering the benefit of customers and the profit of resources to give an optimal result. A numerical case study is used to illustrate the proposed model and configuration process. The performance and advantage of the proposed method are discussed at the end.

Relativistic configuration interaction treatment of generalized oscillator strength for krypton

International Nuclear Information System (INIS)

Wang Huangchun; Qu Yizhi; Liu Chunhua

2007-01-01

A fully relativistic configuration interaction method is developed to investigate the transition energies and general oscillator strengths of the lower lying states of krypton, for both optically allowed and optically forbidden transitions. The calculated results are in agreement with the recent experimental measurements. The calculated transition energies for the 5s and 5s' transitions are 9.970 and 10.717 eV, which agree with the experimental data of 10.033 and 10.643 eV. The calculated oscillator strengths are 0.211 and 0.170, comparable with the experimental results 0.214(±0.012) and 0.194 (±0.012), respectively. The momentum transfer positions (K 2 in a.u.) of the minimum and maximum GOSs in the 4s 2 4p 6 →4s 2 4p 5 (5s + 5s') transitions are 1.105 and 2.225, comparable with the measurements results 1.24 and 2.97. (authors)

Relativistic Configuration Interaction Treatment of Generalized Oscillator Strength for Krypton

Institute of Scientific and Technical Information of China (English)

WANG Huang-Chun; QU Yi-Zhi; LIU Chun-Hua

2007-01-01

A fully relativistic configuration interaction method is developed to investigate the transition energies and general oscillator strengths of the lower lying states of krypton, for both optically allowed and optically forbidden transitions. The calculated results are in agreement with the recent experimental measurements. The calculated transition energies for the 5s and 5s' transitions are 9.970 and 10.717eV, which agree with the experimental data of 10.033 and 10.643 eV. The calculated oscillator strengths are 0.211 and 0.170, comparable with the experimental results 0.214(±0.012) and 0.194 (±0.012), respectively. The momentum transfer positions ( K2 in a.u.) of the minimum and maximum GOSs in the 4s24p6 → 4s24p5 (5s + 5s') transitions are 1.105 and 2.225, comparable with the measurements results 1.24 and 2.97 [Phys. Rev. A 67 (2003) 062708].

Symmetries of cluster configurations

International Nuclear Information System (INIS)

Kramer, P.

1975-01-01

A deeper understanding of clustering phenomena in nuclei must encompass at least two interrelated aspects of the subject: (A) Given a system of A nucleons with two-body interactions, what are the relevant and persistent modes of clustering involved. What is the nature of the correlated nucleon groups which form the clusters, and what is their mutual interaction. (B) Given the cluster modes and their interaction, what systematic patterns of nuclear structure and reactions emerge from it. Are there, for example, families of states which share the same ''cluster parents''. Which cluster modes are compatible or exclude each other. What quantum numbers could characterize cluster configurations. There is no doubt that we can learn a good deal from the experimentalists who have discovered many of the features relevant to aspect (B). Symmetries specific to cluster configurations which can throw some light on both aspects of clustering are discussed

Simulations of two sedimenting-interacting spheres with different sizes and initial configurations using immersed boundary method

Science.gov (United States)

Liao, Chuan-Chieh; Hsiao, Wen-Wei; Lin, Ting-Yu; Lin, Chao-An

2015-06-01

Numerical investigations are carried out for the drafting, kissing and tumbling (DKT) phenomenon of two freely falling spheres within a long container by using an immersed-boundary method. The method is first validated with flows induced by a sphere settling under gravity in a small container for which experimental data are available. The hydrodynamic interactions of two spheres are then studied with different sizes and initial configurations. When a regular sphere is placed below the larger one, the duration of kissing decreases in pace with the increase in diameter ratio. On the other hand, the time duration of the kissing stage increases in tandem with the increase in diameter ratio as the large sphere is placed below the regular one, and there is no DKT interactions beyond threshold diameter ratio. Also, the gap between homogeneous spheres remains constant at the terminal velocity, whereas the gaps between the inhomogeneous spheres increase due to the differential terminal velocity.

Spectral distributions of mixed configurations of identical nucleons in the seniority scheme II. Configuration-seniority scheme

International Nuclear Information System (INIS)

Quesne, C.; Spitz, S.

1978-01-01

Configuration-seniority spectral distributions as well as fixed seniority and fixed total seniority and parity distributions are studied in detail for mixed configurations of identitical nucleons. The decomposition of any (1+2) -body Hamiltonian into irreducible tensors with respect to the unitary and symplectic groups in each subshell is obtained. Group theoretical methods based on the Wigner-Eckart theorem for the higher unitary groups are used to get analytical expressions for the partial widths of configuration-seniority distributions. During this derivation, various isoscalar factors for the chain SU (2Ω) is contained inSp (2Ω) are determined. Numerical calculations of centroid energies, partial widths, and mixing parameters are performed in the Sn and Pb nuclei with a surface delta and a gaussian interactions. Average ordinary and total seniority breaking is studied. Total seniority space truncations in the ground state region are discussed in the Pb nuclei in connections with various approximation schemes

Positron-attachment to small molecules: Vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, Masanori [Quantum Chemistry Division, Graduate School of NanoBioScience, Yokohama City University, 22-2 Seto, Kanazawa, Yokohama 236-0027 (Japan)

2015-12-31

To theoretically demonstrate the binding of a positron to small polarized molecules, we have calculated the vibrational averaged positron affinity (PA) values along the local vibrational contribution with the configuration interaction level of multi-component molecular orbital method. This method can take the electron-positron correlation contribution into account through single electronic - single positronic excitation configurations. The PA values are enhanced by including the local vibrational contribution from vertical PA values due to the anharmonicity of the potential.

Studying and simulating transformer configuration to improve power quality

Directory of Open Access Journals (Sweden)

Oscar J. Peña Huaringa

2011-06-01

Full Text Available This paper presents a study and simulation of transformer configurations to improve power quality; it provides theoretical support based on the expansion of the Fourier series and analysis of symmetrical components. A test system was set up in the laboratory, taking measurements and checking configuration effectiveness in reducing the system’s harmonic content. The configurations were modelled with PSCAD / EMTDC software, using two 6 pulse rectifiers as test loads and two variable speed drives.

Interaction of ICRF power and edge plasma in Tore Supra ergodic divertor configuration

International Nuclear Information System (INIS)

Nguyen, F.; Grosman, A.; Basiuk, V.; Fraboulet, D.; Beaumont, B.; Becoulet, A.; Ghendrih, Ph.; Ladurelle, L.; Meslin, B.

2000-01-01

The coupling of ICRF power to plasma is a crucial problem in Tore Supra for high power and long pulse operations and depends greatly on the edge parameters, in particular on the edge density. Conversely, the behaviour of the bulk plasma is related to the edge conditions and the injection of RF power also induces major modifications on the edge plasma. Moreover, the Ergodic Divertor (ED) of Tore Supra imposes a complex configuration at the edge due to the presence of the magnetic perturbation. Several diagnostics are available to study the interaction of ICRF power with the edge plasma: Langmuir probes on the ED modules, infra red (IR) cameras, charge exchange neutral analysers. In minority heating scheme, the edge density is very sensitive to any perturbation in the high recycling regime which is always found in the ED configuration for relevant plasma parameters. Partially detached regimes, with or without inhomogeneities of density and temperature induced by the flux tubes of the laminar layer, are obtained for high resistance coupling values. The coupling is then not very robust and feedback control or antenna automatic matching techniques are developed. In fast wave electron heating scheme with ED, various fast wave absorption mechanisms (minority heating, Mode Conversion, Alfven resonance) are present at the plasma edge due to the large size of the plasma. The ICRF coupling is difficult due to the low fast wave direct electron damping, even with high hydrogen minority scheme. An increase of the injected ICRF power could improve this situation

Leadership Class Configuration Interaction Code - Status and Opportunities

Science.gov (United States)

Vary, James

2011-10-01

With support from SciDAC-UNEDF (www.unedf.org) nuclear theorists have developed and are continuously improving a Leadership Class Configuration Interaction Code (LCCI) for forefront nuclear structure calculations. The aim of this project is to make state-of-the-art nuclear structure tools available to the entire community of researchers including graduate students. The project includes codes such as NuShellX, MFDn and BIGSTICK that run a range of computers from laptops to leadership class supercomputers. Codes, scripts, test cases and documentation have been assembled, are under continuous development and are scheduled for release to the entire research community in November 2011. A covering script that accesses the appropriate code and supporting files is under development. In addition, a Data Base Management System (DBMS) that records key information from large production runs and archived results of those runs has been developed (http://nuclear.physics.iastate.edu/info/) and will be released. Following an outline of the project, the code structure, capabilities, the DBMS and current efforts, I will suggest a path forward that would benefit greatly from a significant partnership between researchers who use the codes, code developers and the National Nuclear Data efforts. This research is supported in part by DOE under grant DE-FG02-87ER40371 and grant DE-FC02-09ER41582 (SciDAC-UNEDF).

Photoabsorption in sodium clusters: first principles configuration interaction calculations

Science.gov (United States)

Priya, Pradip Kumar; Rai, Deepak Kumar; Shukla, Alok

2017-05-01

We present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Nan, n = 2 - 6), as well as closed-shell cation clusters (Nan+, n = 3, 5). We have employed the configuration interaction (CI) methodology at the full CI (FCI) and quadruple CI (QCI) levels to compute the ground, and the low-lying excited states of the clusters. For most clusters, besides the minimum energy structures, we also consider their energetically close isomers. The photoabsorption spectra were computed under the electric-dipole approximation, employing the dipole-matrix elements connecting the ground state with the excited states of each isomer. Our calculations were tested rigorously for convergence with respect to the basis set, as well as with respect to the size of the active orbital space employed in the CI calculations. These calculations reveal that as far as electron-correlation effects are concerned, core excitations play an important role in determining the optimized ground state geometries of various clusters, thereby requiring all-electron correlated calculations. But, when it comes to low-lying optical excitations, only valence electron correlation effects play an important role, and excellent agreement with the experimental results is obtained within the frozen-core approximation. For the case of Na6, the largest cluster studied in this work, we also discuss the possibility of occurrence of plasmonic resonance in the optical absorption spectrum. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-70728-3

Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy.

Science.gov (United States)

Bytautas, Laimutis; Henderson, Thomas M; Jiménez-Hoyos, Carlos A; Ellis, Jason K; Scuseria, Gustavo E

2011-07-28

We explore the concept of seniority number (defined as the number of unpaired electrons in a determinant) when applied to the problem of electron correlation in atomic and molecular systems. Although seniority is a good quantum number only for certain model Hamiltonians (such as the pairing Hamiltonian), we show that it provides a useful partitioning of the electronic full configuration interaction (FCI) wave function into rapidly convergent Hilbert subspaces whose weight diminishes as its seniority number increases. The primary focus of this study is the adequate description of static correlation effects. The examples considered are the ground states of the helium, beryllium, and neon atoms, the symmetric dissociation of the N(2) and CO(2) molecules, as well as the symmetric dissociation of an H(8) hydrogen chain. It is found that the symmetry constraints that are normally placed on the spatial orbitals greatly affect the convergence rate of the FCI expansion. The energy relevance of the seniority zero sector (determinants with all paired electrons) increases dramatically if orbitals of broken spatial symmetry (as those commonly used for Hubbard Hamiltonian studies) are allowed in the wave function construction. © 2011 American Institute of Physics

A full-configuration-interaction nuclear orbital approach and application for small doped He clusters

Energy Technology Data Exchange (ETDEWEB)

Lara-Castells, M. P. de, E-mail: delara@iff.csic.es; Aguirre, N. F., E-mail: delara@iff.csic.es; Delgado-Barrio, G., E-mail: delara@iff.csic.es; Villarreal, P., E-mail: delara@iff.csic.es [Instituto de Física Fundamental (CSIC), Serrano 123, 28006 Madrid (Spain); Mitrushchenkov, A. O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

2015-01-22

An efficient full-configuration-interaction 'nuclear orbital' treatment was developed as a benchmark quantum-chemistry-like method to calculate, ground and excited, fermionic 'solvent' wave-functions and applied to {sup 3}He{sub N} clusters with atomic or molecular impurities [J. Chem. Phys. (Communication) 125, 221101 (2006)]. The main difficulty in handling doped {sup 3}He{sub N} clusters lies in the Fermi-Dirac nuclear statistics, the wide amplitudes of the He-dopant and He-He motions, and the hard-core He-He interaction at short distances. This paper overviews the theoretical approach and its recent applications to energetic, structural and spectroscopic aspects of different dopant-{sup 3}He{sub N} clusters. Preliminary results by using the latest version of the FCI-NO computational implementation, to bosonic Cl{sub 2}(X)-({sup 4}He){sub N} clusters, are also shown.

Studies of a flexible heliac configuration

International Nuclear Information System (INIS)

Hender, T.C.; Cantrell, J.L.; Harris, J.H.

1987-07-01

This paper documents a detailed study of the Flexible Heliac configuration. The remarkable flexibility of this device - which allows variation of the rotational transform, shear, and magnetic well depth over a relatively wide range - is described. Engineering considerations of error fields, finite cross-section conductors, and plasma coil clearances are also discussed

The electronic states of 1,2,4-triazoles: A study of 1H- and1-methyl-1,2,4-triazole by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy and a comparison with ab initio configuration interaction computations

DEFF Research Database (Denmark)

Palmer, Michael H.; Camp, Philip J.; Hoffmann, Søren Vrønning

2012-01-01

The first vacuum ultraviolet absorption spectrum of a 1,2,4-triazole has been obtained and analyzed in detail, with assistance from both an enhanced UV photoelectron spectroscopic study and ab initio multi-reference multi-root configuration interaction procedures. For both 1H- and 1-methyl-1,2...

Large-dimension configuration-interaction calculations of positron binding to the group-II atoms

International Nuclear Information System (INIS)

Bromley, M. W. J.; Mitroy, J.

2006-01-01

The configuration-interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e + Be, e + Mg, e + Ca, and e + Sr. These calculations were carried out in orbital spaces containing about 200 electron and 200 positron orbitals up to l=12. Despite the very large dimensions, the binding energy and annihilation rate converge slowly with l, and the final values do contain an appreciable correction obtained by extrapolating the calculation to the l→∞ limit. The binding energies were 0.00317 hartree for e + Be, 0.0170 hartree for e + Mg, 0.0189 hartree for e + Ca, and 0.0131 hartree for e + Sr

A configural dominant account of contextual cueing: Configural cues are stronger than colour cues.

Science.gov (United States)

Kunar, Melina A; John, Rebecca; Sweetman, Hollie

2014-01-01

Previous work has shown that reaction times to find a target in displays that have been repeated are faster than those for displays that have never been seen before. This learning effect, termed "contextual cueing" (CC), has been shown using contexts such as the configuration of the distractors in the display and the background colour. However, it is not clear how these two contexts interact to facilitate search. We investigated this here by comparing the strengths of these two cues when they appeared together. In Experiment 1, participants searched for a target that was cued by both colour and distractor configural cues, compared with when the target was only predicted by configural information. The results showed that the addition of a colour cue did not increase contextual cueing. In Experiment 2, participants searched for a target that was cued by both colour and distractor configuration compared with when the target was only cued by colour. The results showed that adding a predictive configural cue led to a stronger CC benefit. Experiments 3 and 4 tested the disruptive effects of removing either a learned colour cue or a learned configural cue and whether there was cue competition when colour and configural cues were presented together. Removing the configural cue was more disruptive to CC than removing colour, and configural learning was shown to overshadow the learning of colour cues. The data support a configural dominant account of CC, where configural cues act as the stronger cue in comparison to colour when they are presented together.

Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions.

Science.gov (United States)

Vosmeer, C Ruben; Kooi, Derk P; Capoferri, Luigi; Terpstra, Margreet M; Vermeulen, Nico P E; Geerke, Daan P

2016-01-01

Recently an iterative method was proposed to enhance the accuracy and efficiency of ligand-protein binding affinity prediction through linear interaction energy (LIE) theory. For ligand binding to flexible Cytochrome P450s (CYPs), this method was shown to decrease the root-mean-square error and standard deviation of error prediction by combining interaction energies of simulations starting from different conformations. Thereby, different parts of protein-ligand conformational space are sampled in parallel simulations. The iterative LIE framework relies on the assumption that separate simulations explore different local parts of phase space, and do not show transitions to other parts of configurational space that are already covered in parallel simulations. In this work, a method is proposed to (automatically) detect such transitions during the simulations that are performed to construct LIE models and to predict binding affinities. Using noise-canceling techniques and splines to fit time series of the raw data for the interaction energies, transitions during simulation between different parts of phase space are identified. Boolean selection criteria are then applied to determine which parts of the interaction energy trajectories are to be used as input for the LIE calculations. Here we show that this filtering approach benefits the predictive quality of our previous CYP 2D6-aryloxypropanolamine LIE model. In addition, an analysis is performed of the gain in computational efficiency that can be obtained from monitoring simulations using the proposed filtering method and by prematurely terminating simulations accordingly.

Magnetization reversal in magnetic dot arrays: Nearest-neighbor interactions and global configurational anisotropy

Energy Technology Data Exchange (ETDEWEB)

Van de Wiele, Ben [Department of Electrical Energy, Systems and Automation, Ghent University, Technologiepark 913, B-9052 Ghent-Zwijnaarde (Belgium); Fin, Samuele [Dipartimento di Fisica e Scienze della Terra, Università degli Studi di Ferrara, 44122 Ferrara (Italy); Pancaldi, Matteo [CIC nanoGUNE, E-20018 Donostia-San Sebastian (Spain); Vavassori, Paolo [CIC nanoGUNE, E-20018 Donostia-San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48013 Bilbao (Spain); Sarella, Anandakumar [Physics Department, Mount Holyoke College, 211 Kendade, 50 College St., South Hadley, Massachusetts 01075 (United States); Bisero, Diego [Dipartimento di Fisica e Scienze della Terra, Università degli Studi di Ferrara, 44122 Ferrara (Italy); CNISM, Unità di Ferrara, 44122 Ferrara (Italy)

2016-05-28

Various proposals for future magnetic memories, data processing devices, and sensors rely on a precise control of the magnetization ground state and magnetization reversal process in periodically patterned media. In finite dot arrays, such control is hampered by the magnetostatic interactions between the nanomagnets, leading to the non-uniform magnetization state distributions throughout the sample while reversing. In this paper, we evidence how during reversal typical geometric arrangements of dots in an identical magnetization state appear that originate in the dominance of either Global Configurational Anisotropy or Nearest-Neighbor Magnetostatic interactions, which depends on the fields at which the magnetization reversal sets in. Based on our findings, we propose design rules to obtain the uniform magnetization state distributions throughout the array, and also suggest future research directions to achieve non-uniform state distributions of interest, e.g., when aiming at guiding spin wave edge-modes through dot arrays. Our insights are based on the Magneto-Optical Kerr Effect and Magnetic Force Microscopy measurements as well as the extensive micromagnetic simulations.

Theoretical studies on CH+ ion molecule using configuration interaction method and its spectroscopic properties

International Nuclear Information System (INIS)

Machado, F.B.C.

1985-01-01

The use of the configuration (CI) method for the calculation of very accurate potential energy curves and dipole moment functions, and then their use in the comprehension of spectroscopic properties of diatomic molecules is presented. The spectroscopic properties of CH + and CD + such as: vibrational levels, spectroscopic constants, averaged dipole moments for all vibrational levels, radiative transition probabilities for emission and absorption, and radiative lifetimes are verificated. (M.J.C.) [pt

Lessons Learned in Designing User-configurable Modular Robotics

DEFF Research Database (Denmark)

Lund, Henrik Hautop

2013-01-01

User-configurable robotics allows users to easily configure robotic systems to perform task-fulfilling behaviors as desired by the users. With a user configurable robotic system, the user can easily modify the physical and func-tional aspect in terms of hardware and software components of a robotic...... with the semi-autonomous com-ponents of the user-configurable robotic system in interaction with the given environment. Components constituting such a user-configurable robotic system can be characterized as modules in a modular robotic system. Several factors in the definition and implementation...

The 3d8-(3d74p + 3p53d9) transitions in Br X: A striking case of configuration interaction

International Nuclear Information System (INIS)

Kleef, T.A.M. van; Uylings, P.H.M.; Ryabtsev, A.N.; Podobedova, L.I.; Joshi, Y.N.

1988-01-01

The spectrum of nine times ionized bromine (Br X) was photographed in the 90-120 A wavelength region on a variety of grazing incidence spectrographs using an open spark and a triggered spark as light sources. The analysis of the 3d 8 -(3d 7 4p + 3p 5 3d 9 ) transitions has resulted in establishing all 9 levels of the 3d 8 configuration, all 12 levels of the 3p 5 3d 9 configuration and 99 out of 110 levels of the 3d 7 4p configuration. The excitation probability of the 3p inner-shell electron increases with nuclear charge and in Br X is comparable with the excitation probability of the optical electrons resulting in a very strong configuration interaction between the 3p 5 3d 9 and 3d 7 4p configurations. Parametric calculations treating these configurations as one super configuration support the analysis. Two hundred and thirty two lines have been classified in this spectrum. (orig.)

Rabi like angular splitting in Surface Plasmon Polariton - Exciton interaction in ATR configuration

Science.gov (United States)

Hassan, Heba; Abdallah, T.; Negm, S.; Talaat, H.

2018-05-01

We have studied the coupling of propagating Surface Plasmon Polaritons (SPP) on silver films and excitons in CdS quantum dots (QDs). We employed the Kretschmann-Raether configuration of the attenuated total reflection (ATR) to propagate the SPP on silver film of thickness 47.5 nm at three different wavelengths. The CdS QD have been chemically synthesized with particular size such that its exciton of energy would resonate with SPP. High resolution transmission electron microscopy (HRTEM) and scan tunneling microscopy (STM) were used to measure the corresponding QDs size and confirm its shape. Further confirmation of the size has been performed by the effective mass approximation (EMA) model utilizing the band gap of the prepared QDs. The band gaps have been measured through UV-vis absorption spectra as well as scan tunneling spectroscopy (STS). The coupling has been observed as two branching dips in the ATR spectra indicating Rabi like splitting. To the best of our knowledge, this is the first time that Rabi interaction is directly observed in an ATR angular spectra. This observation is attributed to the use a high resolution angular scan (±0.005°), in addition to the Doppler width of the laser line as well as the energy distribution of the excitons. The effect of three different linker molecules (TOPO, HDA), (Pyridine) and (Tri-butylamine) as surface ligands, on SPP-Exciton interaction has been examined.

Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

Science.gov (United States)

Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

2010-02-28

Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

A comparative study of behaviors of ventilated supercavities between experimental models with different mounting configurations

International Nuclear Information System (INIS)

Lee, Seung-Jae; Karn, Ashish; Arndt, Roger E A; Kawakami, Ellison

2016-01-01

Small-scale water tunnel experiments of the phenomenon of supercavitation can be carried out broadly using two different kinds of experimental models–in the first model (forward facing model, or FFM), the incoming flow first interacts with the cavitator at front, which is connected to the strut through a ventilation pipe. The second model could have the strut and the ventilation pipe preceding the cavitator (backward facing model, or BFM). This is the continuation of a water tunnel study of the effects of unsteady flows on axisymmetric supercavities. In this study, the unwanted effect of test model configuration on supercavity shape in periodic flows was explored through a comparison of FFM and BFM models. In our experiments, it was found that periodic gust flows have only a minimal effect on the maximum diameter and the cavity length can be shortened above a certain vertical velocity of periodic flows. These findings appear to be robust regardless of the model configuration. (paper)

A comparative study of behaviors of ventilated supercavities between experimental models with different mounting configurations

Energy Technology Data Exchange (ETDEWEB)

Lee, Seung-Jae; Karn, Ashish; Arndt, Roger E A [Saint Anthony Falls Laboratory, University of Minnesota (United States); Kawakami, Ellison, E-mail: hul94@snu.ac.kr, E-mail: ekawakami@mmm.com, E-mail: karn@umn.edu, E-mail: arndt001@umn.edu [3M Corporate Research Process Laboratory (United States)

2016-08-15

Small-scale water tunnel experiments of the phenomenon of supercavitation can be carried out broadly using two different kinds of experimental models–in the first model (forward facing model, or FFM), the incoming flow first interacts with the cavitator at front, which is connected to the strut through a ventilation pipe. The second model could have the strut and the ventilation pipe preceding the cavitator (backward facing model, or BFM). This is the continuation of a water tunnel study of the effects of unsteady flows on axisymmetric supercavities. In this study, the unwanted effect of test model configuration on supercavity shape in periodic flows was explored through a comparison of FFM and BFM models. In our experiments, it was found that periodic gust flows have only a minimal effect on the maximum diameter and the cavity length can be shortened above a certain vertical velocity of periodic flows. These findings appear to be robust regardless of the model configuration. (paper)

Distinct configurations of protein complexes and biochemical pathways revealed by epistatic interaction network motifs

LENUS (Irish Health Repository)

Casey, Fergal

2011-08-22

Abstract Background Gene and protein interactions are commonly represented as networks, with the genes or proteins comprising the nodes and the relationship between them as edges. Motifs, or small local configurations of edges and nodes that arise repeatedly, can be used to simplify the interpretation of networks. Results We examined triplet motifs in a network of quantitative epistatic genetic relationships, and found a non-random distribution of particular motif classes. Individual motif classes were found to be associated with different functional properties, suggestive of an underlying biological significance. These associations were apparent not only for motif classes, but for individual positions within the motifs. As expected, NNN (all negative) motifs were strongly associated with previously reported genetic (i.e. synthetic lethal) interactions, while PPP (all positive) motifs were associated with protein complexes. The two other motif classes (NNP: a positive interaction spanned by two negative interactions, and NPP: a negative spanned by two positives) showed very distinct functional associations, with physical interactions dominating for the former but alternative enrichments, typical of biochemical pathways, dominating for the latter. Conclusion We present a model showing how NNP motifs can be used to recognize supportive relationships between protein complexes, while NPP motifs often identify opposing or regulatory behaviour between a gene and an associated pathway. The ability to use motifs to point toward underlying biological organizational themes is likely to be increasingly important as more extensive epistasis mapping projects in higher organisms begin.

The benefits of ITER for the portfolio of fusion configurations

International Nuclear Information System (INIS)

Goldston, R.J.

2002-01-01

Recent plasma science challenges are 1) what limits the pressure in plasmas? (macroscopic stability), 2) how do hot particles and plasma waves interact in the non-linear regime? (wave-particle interactions), 3) what causes plasma transport? (microscopic turbulence and transport) and 4) how can high-temperature plasma and material surface co-exist? (plasma-material interactions). This fusion plasma science is addressed using a 'Portfolio' of configurations, like Stellarator, Tokamak, Spherical Torus, Reversed Field Pinch, Spheromak, and Field Reversed Configuration. Namely, the scientific results from one configuration benefit progress in others. Recent example of this effort can be found in NCSX, NSTX and RFP. ITER will provide very significant benefits to the development of the full fusion portfolio; macroscopic stability, wave-particle interactions, microturbulence and transport, plasma-material interactions, and technical demonstration of an integrated fusion system. (author)

The benefits of ITER for the portfolio of fusion configurations

Energy Technology Data Exchange (ETDEWEB)

Goldston, R.J. [Princeton Plasma Physics Lab., NJ (United States)

2002-10-01

Recent plasma science challenges are 1) what limits the pressure in plasmas? (macroscopic stability), 2) how do hot particles and plasma waves interact in the non-linear regime? (wave-particle interactions), 3) what causes plasma transport? (microscopic turbulence and transport) and 4) how can high-temperature plasma and material surface co-exist? (plasma-material interactions). This fusion plasma science is addressed using a 'Portfolio' of configurations, like Stellarator, Tokamak, Spherical Torus, Reversed Field Pinch, Spheromak, and Field Reversed Configuration. Namely, the scientific results from one configuration benefit progress in others. Recent example of this effort can be found in NCSX, NSTX and RFP. ITER will provide very significant benefits to the development of the full fusion portfolio; macroscopic stability, wave-particle interactions, microturbulence and transport, plasma-material interactions, and technical demonstration of an integrated fusion system. (author)

Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.

Science.gov (United States)

Tsuchimochi, Takashi

2015-10-14

Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

Gauge-Invariant Formulation of Time-Dependent Configuration Interaction Singles Method

Directory of Open Access Journals (Sweden)

Takeshi Sato

2018-03-01

Full Text Available We propose a gauge-invariant formulation of the channel orbital-based time-dependent configuration interaction singles (TDCIS method [Phys. Rev. A, 74, 043420 (2006], one of the powerful ab initio methods to investigate electron dynamics in atoms and molecules subject to an external laser field. In the present formulation, we derive the equations of motion (EOMs in the velocity gauge using gauge-transformed time-dependent, not fixed, orbitals that are equivalent to the conventional EOMs in the length gauge using fixed orbitals. The new velocity-gauge EOMs avoid the use of the length-gauge dipole operator, which diverges at large distance, and allows us to exploit computational advantages of the velocity-gauge treatment over the length-gauge one, e.g., a faster convergence in simulations with intense and long-wavelength lasers, and the feasibility of exterior complex scaling as an absorbing boundary. The reformulated TDCIS method is applied to an exactly solvable model of one-dimensional helium atom in an intense laser field to numerically demonstrate the gauge invariance. We also discuss the consistent method for evaluating the time derivative of an observable, which is relevant, e.g., in simulating high-harmonic generation.

Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

Energy Technology Data Exchange (ETDEWEB)

Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany); Wüllen, Christoph van [Fachbereich Chemie and Forschungszentrum OPTIMAS, Technical University of Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany)

2015-03-07

We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the

Interactive effects of size, contrast, intensity and configuration of background objects in evoking disruptive camouflage in cuttlefish.

Science.gov (United States)

Chiao, Chuan-Chin; Chubb, Charles; Hanlon, Roger T

2007-07-01

Disruptive body coloration is a primary camouflage tactic of cuttlefish. Because rapid changeable coloration of cephalopods is guided visually, we can present different visual backgrounds (e.g., computer-generated, two-dimensional prints) and video record the animal's response by describing and grading its body pattern. We showed previously that strength of cuttlefish disruptive patterning depends on the size, contrast, and density of discrete light elements on a homogeneous dark background. Here we report five experiments on the interactions of these and other features. Results show that Weber contrast of light background elements is--in combination with element size--a powerful determinant of disruptive response strength. Furthermore, the strength of disruptive patterning decreases with increasing mean substrate intensity (with other factors held constant). Interestingly, when element size, Weber contrast and mean substrate intensity are kept constant, strength of disruptive patterning depends on the configuration of clusters of small light elements. This study highlights the interactions of multiple features of natural microhabitats that directly influence which camouflage pattern a cuttlefish will choose.

Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis.

Science.gov (United States)

Scribano, Yohann; Lauvergnat, David M; Benoit, David M

2010-09-07

In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining this with fast-VSCF, an efficient direct evaluation of the ab initio potential-energy surface (PES), we introduce a general formalism for the computation of vibrational bound states of molecular systems exhibiting large-amplitude motion such as methyl-group torsion. We validate our approach on an analytical two-dimensional model and apply it to the methanol molecule. We show that curvilinear coordinates lead to a significant improvement in the VSCF/VCI description of the torsional frequency in methanol, even for a simple two-mode coupling expansion of the PES. Moreover, we demonstrate that a curvilinear formulation of the fast-VSCF/VCI scheme improves its speed by a factor of two and its accuracy by a factor of 3.

Case studies in configuration control for redundant robots

Science.gov (United States)

Seraji, H.; Lee, T.; Colbaugh, R.; Glass, K.

1989-01-01

A simple approach to configuration control of redundant robots is presented. The redundancy is utilized to control the robot configuration directly in task space, where the task will be performed. A number of task-related kinematic functions are defined and combined with the end-effector coordinates to form a set of configuration variables. An adaptive control scheme is then utilized to ensure that the configuration variables track the desired reference trajectories as closely as possible. Simulation results are presented to illustrate the control scheme. The scheme has also been implemented for direct online control of a PUMA industrial robot, and experimental results are presented. The simulation and experimental results validate the configuration control scheme for performing various realistic tasks.

Experimental and theoretical study of the hyperfine structure in the lower configurations in 45Sc II

International Nuclear Information System (INIS)

Villemoes, P.; van Leeuwen, R.; Arnesen, A.; Heijkenskjoeld, F.; Kastberg, A.; Larsson, M.O.; Kotochigova, S.A.

1992-01-01

We have measured the hyperfine structure (hfs) of 12 levels in the configurations 3d4s, 3d 2 , and 3d4p in singly ionized scandium by collinear fast-ion-beam--laser spectroscopy. The hfs of the four levels in the configuration 3d4s has to our knowledge not been measured before. From these levels the ions were excited to levels in the 3d4p configuration by the frequency-doubled output of a ring dye laser with an intracavity mounted LiIO 3 crystal. Levels in the 3d 2 configuration were excited to levels in the 3d4p configuration with visible laser light. The resulting magnetic dipole (A) and electric quadrupole (B) hfs constants are analyzed in Sandars-Beck effective-operator formalism. The multiconfiguration Dirac-Fock method has been used to calculate the hfs constants for levels in the configurations 3d4s, 3d5s, 3d6s, 3d 2 , and 3d4p. Within the framework of the configuration-interaction method, an approach is presented for the calculation of the core polarization, which uses a virtual basis set localized inside the core. For all levels, this approach gives better results compared to previously published calculations

Configuration interaction effect on open M shell Fe and Ni LTE spectral opacities, Rosseland and Planck means

International Nuclear Information System (INIS)

Gilles, D; Busquet, M; Gilleron, F; Pain, J-C; Klapisch, M

2016-01-01

We have recently shown that iron and nickel open M-shell opacity spectra, up to Δn = 2 are very sensitive to Configuration Interaction (CI) treatments at temperature around 15 eV and for various densities. To do so we had compared extensive CI calculations obtained with two opacity codes HULLAC-v9 and SCO-RCG. In this work we extend these comparisons to a first evaluation of CI effects on Rosseland and Planck means. (paper)

Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH

DEFF Research Database (Denmark)

Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

2010-01-01

We present a parallel implementation of a large-scale relativistic double-group configuration interaction CIprogram. It is applicable with a large variety of two- and four-component Hamiltonians. The parallel algorithm is based on a distributed data model in combination with a static load balanci...

Numerical Study of Traffic Pollutant Dispersion within Different Street Canyon Configurations

Directory of Open Access Journals (Sweden)

Yucong Miao

2014-01-01

Full Text Available The objective of this study is to numerically study flow and traffic exhaust dispersion in urban street canyons with different configurations to find out the urban-planning strategies to ease the air pollution. The Computational Fluid Dynamics (CFD model used in this study—Open Source Field Operation and Manipulation (OpenFOAM software package—was firstly validated against the wind-tunnel experiment data by using three different k-ε turbulence models. And then the patterns of flow and dispersion within three different kinds of street canyon configuration under the perpendicular approaching flow were numerically studied. The result showed that the width and height of building can dramatically affect the pollution level inside the street canyon. As the width or height of building increases, the pollution at the pedestrian level increases. And the asymmetric configuration (step-up or step-down street canyon could provide better ventilation. It is recommended to design a street canyon with nonuniform configurations. And the OpenFOAM software package can be used as a reliable tool to study flows and dispersions around buildings.

Configurational Information as Potentially Negative Entropy: The Triple Helix Model

Directory of Open Access Journals (Sweden)

Loet Leydesdorff

2008-10-01

Full Text Available Configurational information is generated when three or more sources of variance interact. The variations not only disturb each other relationally, but by selecting upon each other, they are also positioned in a configuration. A configuration can be stabilized and/or globalized. Different stabilizations can be considered as second-order variation, and globalization as a second-order selection. The positive manifestations and the negative selections operate upon one another by adding and reducing uncertainty, respectively. Reduction of uncertainty in a configuration can be measured in bits of information. The variables can also be considered as dimensions of the probabilistic entropy in the system(s under study. The configurational information then provides us with a measure of synergy within a complex system. For example, the knowledge base of an economy can be considered as such a synergy in the otherwise virtual (that is, fourth dimension of a regime

A Two-Bladed Teetering Hub configuration for the DTU 10 MW RWT: loads considerations

DEFF Research Database (Denmark)

Bergami, Leonardo; Aagaard Madsen, Helge; Rasmussen, Flemming

2014-01-01

study on an alternative downwind two-bladed rotor configuration. The study is based on a model representative of next generation multi-MW wind turbines: the DTU 10-MW Reference Wind Turbine (RWT). As a first design iteration, the aerodynamic characteristics of the original rotor are maintained......As the size of wind turbine rotors continuously grows, the need for innovative solutions that would yield to lighter rotor configurations becomes more urgent. Traditional wind turbine designs have favored the classic three-bladed upwind rotor configuration. This work presents instead a concept...... in load variations, and hence in fatigue damage, affects the turbine blades, shaft and tower, and originates from the aerodynamic unbalance on the rotor, as well as from aeroelastic interaction with the tower frequency. To mitigate the load amplification caused by the interaction between the tower...

Computational methods for stellerator configurations

International Nuclear Information System (INIS)

Betancourt, O.

1992-01-01

This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings

Local random configuration-tree theory for string repetition and facilitated dynamics of glass

Science.gov (United States)

Lam, Chi-Hang

2018-02-01

We derive a microscopic theory of glassy dynamics based on the transport of voids by micro-string motions, each of which involves particles arranged in a line hopping simultaneously displacing one another. Disorder is modeled by a random energy landscape quenched in the configuration space of distinguishable particles, but transient in the physical space as expected for glassy fluids. We study the evolution of local regions with m coupled voids. At a low temperature, energetically accessible local particle configurations can be organized into a random tree with nodes and edges denoting configurations and micro-string propagations respectively. Such trees defined in the configuration space naturally describe systems defined in two- or three-dimensional physical space. A micro-string propagation initiated by a void can facilitate similar motions by other voids via perturbing the random energy landscape, realizing path interactions between voids or equivalently string interactions. We obtain explicit expressions of the particle diffusion coefficient and a particle return probability. Under our approximation, as temperature decreases, random trees of energetically accessible configurations exhibit a sequence of percolation transitions in the configuration space, with local regions containing fewer coupled voids entering the non-percolating immobile phase first. Dynamics is dominated by coupled voids of an optimal group size, which increases as temperature decreases. Comparison with a distinguishable-particle lattice model (DPLM) of glass shows very good quantitative agreements using only two adjustable parameters related to typical energy fluctuations and the interaction range of the micro-strings.

Evaluation of the Stillinger-Weber classical interaction potential for tetragonal semiconductors in nonideal atomic configurations

International Nuclear Information System (INIS)

Dodson, B.W.

1986-01-01

A classical potential incorporating two- and three-body interaction terms has recently been introduced by Stillinger and Weber (SW) for simulation of the liquefaction transition of silicon. The equilibrium mechanical properties of this potential are determined and found to agree well with experimental values. The potential also seems to be adequate for problems involving computation of defect energies, such as the stability of strained-layer superlattice interfaces. However, inadequate treatment of configurations with low coordination number makes modeling of the epitaxial growth of (111) silicon impossible. Simple modifications of the SW potential form do allow for (111) epitaxial growth, but the earliest stages of growth then become unphysical

Ab initio configuration interaction study on the energetics and electronic structure of the 1-52Σ+ and 1-32Π states of CS+

International Nuclear Information System (INIS)

Honjou, Nobumitsu

2006-01-01

The energetics and electronic structure of the 1-5 2 Σ + and 1-3 2 Π states of CS + at and around the equilibrium internuclear distance R e for the CS X 1 Σ + state are studied by carrying out ab initio configuration interaction (CI) calculations. The spectroscopic constants of T e , ω e , and R e for the 1-4 2 Σ + , 1 2 Π, and 3 2 Π states are evaluated from the CI potential energy curves (PECs). The avoided crossing between the 2-3 2 Σ + PECs causes the 3 2 Σ + minimum and explains the observed high intensities for the photoionization from the CS X 1 Σ + state to both the 2-3 2 Σ + states. The avoided crossing between the 3-4 2 Σ + PECs produces the 3 2 Σ + maximum and 4 2 Σ + well minimum. The avoided crossing between the 2-3 2 Π PECs results in the 3 2 Π minimum and a small minimum spacing (0.14 eV) between the PECs

Calculations of configurations of doubly ionized copper (Cu III)

International Nuclear Information System (INIS)

Sugar, J.; Martin, W.C.

1976-01-01

The energy levels belonging to the configurations 3d 7 4s 2 and 3d 8 nl (nl = 4s, 5s, 4p, 5p, 4d, 5d, 4f, and 5g) have been calculated. The radial energy integrals were treated as parameters and adjusted to give a least-squares fit to the observed levels. Two- and three-body effective electrostatic interactions for equivalent electrons were included, as well as two-body effective interactions for inequivalent electrons. Strong configuration interaction between 3d 7 4s 2 and 3d 8 4d was taken into account. Values of the parameters are given for all the above configurations, and the calculated levels are given for all except 3d 8 4s and 3d 8 4p (for which essentially equivalent results have been published). Leading eigenvector percentages are given in appropriate coupling schemes

Experimental study of a RF plasma source with helicon configuration in the mix Ar/H_2. Application to the chemical etching of carbon materials surfaces in the framework of the plasma-wall interactions studies of ITER's divertor

International Nuclear Information System (INIS)

Bieber, T.

2012-01-01

The issue of the interaction wall-plasma is important in thermonuclear devices. The purpose of this work is to design a very low pressure atomic plasma source in order to study chemical etching of carbon surfaces in the same conditions as edge plasma in tokamaks. The experimental work has consisted in 2 stages: first, the characterisation of the new helicon configuration reactor developed for this research and secondly the atomic hydrogen source used for the chemical etching. The first chapter recalls what thermonuclear fusion is. The helicon configuration reactor as well as its diagnostics (optical emission spectroscopy, laser induced fluorescence - LIF, and Langmuir probe) are described in the second chapter. The third chapter deals with the different coupling modes (RF power and plasma) identified in pure argon plasmas and how they are obtained by setting experimental parameters such as injected RF power, magnetic fields or pressure. The fourth chapter is dedicated to the study of the difference in behavior between the electronic density and the relative density of metastable Ar"+ ions. The last chapter presents the results in terms of mass losses of the carbon material surfaces obtained with the atomic hydrogen source. (A.C.)

Valence configurations in 214Rn

International Nuclear Information System (INIS)

Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Bark, R.A.; Poletti, A.R.

1987-01-01

Excited states of 214 Rn, up to spins of ≅ 24 ℎ have been studied using γ-ray and electron spectroscopy following the 208 Pb( 9 Be,3n) 214 Rn reaction. The level scheme (which differs substantially from earlier work) is compared with the results of a semi-empirical shell model calculation. The availability of high-spin orbitals for the four valence protons and two valence neutrons, and the effect of the attractive proton-neutron interaction, leads to the prediction of high-spin states at an unusually low excitation energy. Experimentally, the high level density leads to difficulties in the level scheme assignments at high spin. Nevertheless, configuration assignments, supported by transition strengths deduced from the measured lifetimes (in the nanosecond region) are suggested for the main yrast states. The decay properties also suggest that configuration mixing is important. The possibility of a gradual transition to octupole deformation, implied by the decay properties of the 11 - and 10 + yrast states is also discussed. (orig.)

Robust and Efficient Spin Purification for Determinantal Configuration Interaction.

Science.gov (United States)

Fales, B Scott; Hohenstein, Edward G; Levine, Benjamin G

2017-09-12

The limited precision of floating point arithmetic can lead to the qualitative and even catastrophic failure of quantum chemical algorithms, especially when high accuracy solutions are sought. For example, numerical errors accumulated while solving for determinantal configuration interaction wave functions via Davidson diagonalization may lead to spin contamination in the trial subspace. This spin contamination may cause the procedure to converge to roots with undesired ⟨Ŝ 2 ⟩, wasting computer time in the best case and leading to incorrect conclusions in the worst. In hopes of finding a suitable remedy, we investigate five purification schemes for ensuring that the eigenvectors have the desired ⟨Ŝ 2 ⟩. These schemes are based on projection, penalty, and iterative approaches. All of these schemes rely on a direct, graphics processing unit-accelerated algorithm for calculating the S 2 c matrix-vector product. We assess the computational cost and convergence behavior of these methods by application to several benchmark systems and find that the first-order spin penalty method is the optimal choice, though first-order and Löwdin projection approaches also provide fast convergence to the desired spin state. Finally, to demonstrate the utility of these approaches, we computed the lowest several excited states of an open-shell silver cluster (Ag 19 ) using the state-averaged complete active space self-consistent field method, where spin purification was required to ensure spin stability of the CI vector coefficients. Several low-lying states with significant multiply excited character are predicted, suggesting the value of a multireference approach for modeling plasmonic nanomaterials.

Control of divertor configuration in JT-60

International Nuclear Information System (INIS)

Yoshino, R.; Kukuchi, M.; Ninomiya, H.; Yoshida, H.; Tsuji, S.; Hosogane, N.; Seki, S.

1985-01-01

The control algorithm of JT-60 divertor configuration is presented. JT-60 has five types of poloidal magnetic field coil with each power supply in order to regulate the control objectives mentioned above. However, if one controls each objective by each coil current independently, there must inevitably occur large interaction between control objectives. Because the relation between control objectives and coil currents is complicated. This situation may be the same with a fusion reactor device. For making it possible to control each objective independently without causing large interaction, the authors adopt the noninteracting control algorithm. Hence, this report demonstrates the availability of this method to the control of JT-60 divertor configuration

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

Science.gov (United States)

Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada

2011-06-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

International Nuclear Information System (INIS)

Zhang Wei; Gan Jie; Li Qian; Gao Kun; Sun Jian; Xu Ning; Ying Zhifeng; Wu Jiada

2011-01-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

Multireference configuration interaction treatment of potential energy surfaces: symmetric dissociation of H/sub 2/O in a double-zeta basis

Energy Technology Data Exchange (ETDEWEB)

Brown, F B; Shavitt, I; Shepard, R

1984-03-23

Multiconfiguration self-consistent fields (SCF) and multireference configurational interaction (CI) calculations have been performed for the H/sub 2/O molecule in a double-zeta basis for four symmetric geometries, for comparison with full CI results. Unlike single-reference results, the energy errors are almost independent of geometry, allowing unbiased treatments of potential energy surfaces. 35 references, 1 figure, 2 tables.

Configuration studies for a small-aspect-ratio tokamak stellarator hybrid

International Nuclear Information System (INIS)

Carreras, B.A.; Lynch, V.E.; Ware, A.

1996-08-01

The use of modulated toroidal coils offers a new path to the tokamak-stellarator hybrids. Low-aspect-ratio configurations can be found with robust vacuum flux surfaces and rotational transform close to the transform of a reverse-shear tokamak. These configurations have clear advantages in minimizing disruptions and their effect and in reducing tokamak current drive needs. They also allow the study of low-aspect-ratio effects on stellarator confinement in small devices

A deterministic alternative to the full configuration interaction quantum Monte Carlo method

Energy Technology Data Exchange (ETDEWEB)

Tubman, Norm M.; Lee, Joonho; Takeshita, Tyler Y.; Head-Gordon, Martin; Whaley, K. Birgitta [University of California, Berkeley, Berkeley, California 94720 (United States)

2016-07-28

Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows exact diagonalization through stochastically sampling determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, along with a stochastic projected wave function, to find the important parts of Hilbert space. However, the stochastic representation of the wave function is not required to search Hilbert space efficiently, and here we describe a highly efficient deterministic method that can achieve chemical accuracy for a wide range of systems, including the difficult Cr{sub 2} molecule. We demonstrate for systems like Cr{sub 2} that such calculations can be performed in just a few cpu hours which makes it one of the most efficient and accurate methods that can attain chemical accuracy for strongly correlated systems. In addition our method also allows efficient calculation of excited state energies, which we illustrate with benchmark results for the excited states of C{sub 2}.

Analysis of the half-projected Hartree--Fock function: density matrix, natural orbitals, and configuration interaction equivalence

International Nuclear Information System (INIS)

Smeyers, Y.G.; Delgado-Barrio, G.

1976-01-01

The half-projected Hartree--Fock function for singlet states (HPHF) is analyzed in terms of natural electronic configurations. For this purpose the HPHF spinless density matrix and its natural orbitals are first deduced. It is found that the HPHF function does not contain any contribution from odd-times excited configurations. It is seen in addition, in the case of the singlet ground states, this function is approximately equivalent to two closed-shell configurations, although the nature of the excited one depends on the nuclear geometry. An example is given in the case of the LiH ground state. Finally, the application of this model for studying systems of more than two atoms is criticized

Configuration study of large wind parks

Energy Technology Data Exchange (ETDEWEB)

Lundberg, Stefan

2003-07-01

In this thesis, layouts of various large-scale wind parks, using both AC as well as DC, are investigated. Loss modelling of the wind park components as well as calculations of the energy capture of the turbines using various electrical systems are performed, and the energy production cost of the various park configurations is determined. The most interesting candidate for a DC transmission based wind park was investigated more in detail, the series DC wind park. Finally, the power quality impact in the PCC (point of common coupling) was studied. It was found that from an energy capture point of view, the difference in energy production between various wind turbine systems is very small. Of all the investigated wind park configurations, the wind park with the series connected DC wind turbines seems to have the best potential to give the lowest energy production cost, if the transmission distance is longer then 10-20 km. Regarding the series DC wind park it was found that it is the most difficult one to control. However, a control algorithm for the series park and its turbines was derived and successfully tested. Still, several more details regarding the control of the series wind park has to be dealt with.

Qualtiy Issues in Project configured Supply Chains

DEFF Research Database (Denmark)

Koch, Christian; Larsen, Casper Schultz

by configuration by project. In such a setting creating value for the customers and the enterprises becomes dependent of the ability to organise and coordinate in the supply chains. That the configuration is not always successful can be demonstrated by studying the emergence of failures occurring in the supply...... observation period. These were compiled and analysed. The economic consequences are calculated to be 8% of the production costs. The analysis of relations in the supply chain both show relations to materials and knowledge chains and their interaction. Most of the failures were generated in the knowledge...... stream and then occasionally transform into the material stream. The paper proposes initiatives to strengthen partnerships in supply chains and especially at engineer to order production. The contradiction between the permanent enterprise organisation potentially capable of handling purchasing...

Characterization of the equilibrium configuration for modulated beams in a plasma wakefield accelerator

CERN Document Server

Martorelli, Roberto

2016-01-01

We analyze the equilibrium configuration for a modulated beam with sharp boundaries exposed to the fields self-generated by the interaction with a plasma. Through a semi-analytical approach we show the presence of multiple equilibrium configurations and we determine the one more suitable for wakefield excitation. Once pointed out the absence of confinement for the front of the beam and the consequently divergence driven by the emittance, we study the evolution of the equilibrium configuration while propagating in the plasma, discarding all the others time-dependencies. We show the onset of a rigid backward drift of the equilibrium configuration and we provide an explanation in the increasing length of the first bunch.

Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

Science.gov (United States)

Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver

2017-08-01

Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.

Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.

Science.gov (United States)

Klinkusch, Stefan; Saalfrank, Peter; Klamroth, Tillmann

2009-09-21

We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H(2) when calculated nonperturbatively by TD-CIS.

Control Configuration Selection for Multivariable Descriptor Systems

DEFF Research Database (Denmark)

Shaker, Hamid Reza; Stoustrup, Jakob

2012-01-01

Control configuration selection is the procedure of choosing the appropriate input and output pairs for the design of SISO (or block) controllers. This step is an important prerequisite for a successful industrial control strategy. In industrial practices it is often the case that the system, whi...... is that it can be used to propose a richer sparse or block diagonal controller structure. The interaction measure is used for control configuration selection of the linearized CSTR model with descriptor from....

Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces

International Nuclear Information System (INIS)

Barbatti, M.; Paier, J.; Lischka, H.

2004-01-01

Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of reference spaces for the MR-CISD calculations have been investigated. The crossing seam between the S 0 and S 1 states has been explored in detail. This seam connects all conical intersections presently known for ethylene. Major emphasis has been laid on the hydrogen-migration path. Starting in the V state of twisted-orthogonal ethylene, a barrierless path to ethylidene was found. The feasibility of ethylidene formation will be important for the explanation of the relative yield of cis and trans H 2 elimination

A nanoscale study of charge extraction in organic solar cells: the impact of interfacial molecular configurations.

Science.gov (United States)

Tang, Fu-Ching; Wu, Fu-Chiao; Yen, Chia-Te; Chang, Jay; Chou, Wei-Yang; Gilbert Chang, Shih-Hui; Cheng, Horng-Long

2015-01-07

In the optimization of organic solar cells (OSCs), a key problem lies in the maximization of charge carriers from the active layer to the electrodes. Hence, this study focused on the interfacial molecular configurations in efficient OSC charge extraction by theoretical investigations and experiments, including small molecule-based bilayer-heterojunction (sm-BLHJ) and polymer-based bulk-heterojunction (p-BHJ) OSCs. We first examined a well-defined sm-BLHJ model system of OSC composed of p-type pentacene, an n-type perylene derivative, and a nanogroove-structured poly(3,4-ethylenedioxythiophene) (NS-PEDOT) hole extraction layer. The OSC with NS-PEDOT shows a 230% increment in the short circuit current density compared with that of the conventional planar PEDOT layer. Our theoretical calculations indicated that small variations in the microscopic intermolecular interaction among these interfacial configurations could induce significant differences in charge extraction efficiency. Experimentally, different interfacial configurations were generated between the photo-active layer and the nanostructured charge extraction layer with periodic nanogroove structures. In addition to pentacene, poly(3-hexylthiophene), the most commonly used electron-donor material system in p-BHJ OSCs was also explored in terms of its possible use as a photo-active layer. Local conductive atomic force microscopy was used to measure the nanoscale charge extraction efficiency at different locations within the nanogroove, thus highlighting the importance of interfacial molecular configurations in efficient charge extraction. This study enriches understanding regarding the optimization of the photovoltaic properties of several types of OSCs by conducting appropriate interfacial engineering based on organic/polymer molecular orientations. The ultimate power conversion efficiency beyond at least 15% is highly expected when the best state-of-the-art p-BHJ OSCs are combined with present arguments.

Operational concepts for the Environmental Restoration and Waste Management Configuration Study

Energy Technology Data Exchange (ETDEWEB)

NONE

1990-12-01

DOE has initiated a planning process in anticipation of upgrading all DOE waste management operations and facilities. The EM Configuration Study examines four areas: (1) planning considerations, (2) system configuration, (3) operational concepts, and (4) resource assessments. Each area is addressed by a different team. Objective of the Operational Concepts Team 3 study is to investigate, identify, define, and evaluate alternative ways to manage DOE waste management facilities, while taking into consideration the information gathered by the other EM Configuration teams. This report provides information and criteria for evaluating the relative effectiveness and efficiency of various organizational alternatives that can be used to operate and manage DOE waste facilities. Intent of this report is not to select one best management alternative but rather to provide recommendations, conclusions, and background information from which decisions will be made at a future date.

Integrating configuration workflows with project management system

International Nuclear Information System (INIS)

Nilsen, Dimitri; Weber, Pavel

2014-01-01

The complexity of the heterogeneous computing resources, services and recurring infrastructure changes at the GridKa WLCG Tier-1 computing center require a structured approach to configuration management and optimization of interplay between functional components of the whole system. A set of tools deployed at GridKa, including Puppet, Redmine, Foreman, SVN and Icinga, provides the administrative environment giving the possibility to define and develop configuration workflows, reduce the administrative effort and improve sustainable operation of the whole computing center. In this presentation we discuss the developed configuration scenarios implemented at GridKa, which we use for host installation, service deployment, change management procedures, service retirement etc. The integration of Puppet with a project management tool like Redmine provides us with the opportunity to track problem issues, organize tasks and automate these workflows. The interaction between Puppet and Redmine results in automatic updates of the issues related to the executed workflow performed by different system components. The extensive configuration workflows require collaboration and interaction between different departments like network, security, production etc. at GridKa. Redmine plugins developed at GridKa and integrated in its administrative environment provide an effective way of collaboration within the GridKa team. We present the structural overview of the software components, their connections, communication protocols and show a few working examples of the workflows and their automation.

Vortex configuration and vortex-vortex interaction in nano-structured superconductors

International Nuclear Information System (INIS)

Kato, Masaru; Niwa, Yuhei; Suematsu, Hisataka; Ishida, Takekazu

2012-01-01

We study the vortex structures and quasi-particle structures in nano-structured superconductors. We used the Bogoliubov-de Gennes equation and the finite element method and obtained stable magnetic flux structures and the quasi-particle states. We found the vortex configurations are affected by the interference of the quasi-particle bound states around the vortices. In order to clarify the interference between the quasi-particle wave-functions around two vortices we have developed a numerical method using the elliptic coordinates and the Mathieu functions. We apply this method to two singly quantized vortex state in a conventional s-wave superconductor and a pair of half-quantum vortices in a chiral p-wave superconductor.

Neutron star equilibrium configurations within a fully relativistic theory with strong, weak, electromagnetic, and gravitational interactions

International Nuclear Information System (INIS)

Belvedere, Riccardo; Pugliese, Daniela; Rueda, Jorge A.; Ruffini, Remo; Xue, She-Sheng

2012-01-01

We formulate the equations of equilibrium of neutron stars taking into account strong, weak, electromagnetic, and gravitational interactions within the framework of general relativity. The nuclear interactions are described by the exchange of the σ, ω, and ρ virtual mesons. The equilibrium conditions are given by our recently developed theoretical framework based on the Einstein–Maxwell–Thomas–Fermi equations along with the constancy of the general relativistic Fermi energies of particles, the “Klein potentials”, throughout the configuration. The equations are solved numerically in the case of zero temperatures and for selected parameterizations of the nuclear models. The solutions lead to a new structure of the star: a positively charged core at supranuclear densities surrounded by an electronic distribution of thickness ∼ℏ/(m e c)∼10 2 ℏ/(m π c) of opposite charge, as well as a neutral crust at lower densities. Inside the core there is a Coulomb potential well of depth ∼m π c 2 /e. The constancy of the Klein potentials in the transition from the core to the crust, imposes the presence of an overcritical electric field ∼(m π /m e ) 2 E c , the critical field being E c =m e 2 c 3 /(eℏ). The electron chemical potential and the density decrease, in the boundary interface, until values μ e crust e core and ρ crust core . For each central density, an entire family of core–crust interface boundaries and, correspondingly, an entire family of crusts with different mass and thickness, exist. The configuration with ρ crust =ρ drip ∼4.3×10 11 gcm −3 separates neutron stars with and without inner crust. We present here the novel neutron star mass–radius for the especial case ρ crust =ρ drip and compare and contrast it with the one obtained from the traditional Tolman–Oppenheimer–Volkoff treatment.

A Comparative Study of Simulated and Measured Gear-Flap Flow Interaction

Science.gov (United States)

Khorrami, Mehdi R.; Mineck, Raymond E.; Yao, Chungsheng; Jenkins, Luther N.; Fares, Ehab

2015-01-01

The ability of two CFD solvers to accurately characterize the transient, complex, interacting flowfield asso-ciated with a realistic gear-flap configuration is assessed via comparison of simulated flow with experimental measurements. The simulated results, obtained with NASA's FUN3D and Exa's PowerFLOW® for a high-fidelity, 18% scale semi-span model of a Gulfstream aircraft in landing configuration (39 deg flap deflection, main landing gear on and off) are compared to two-dimensional and stereo particle image velocimetry measurements taken within the gear-flap flow interaction region during wind tunnel tests of the model. As part of the bench-marking process, direct comparisons of the mean and fluctuating velocity fields are presented in the form of planar contour plots and extracted line profiles at measurement planes in various orientations stationed in the main gear wake. The measurement planes in the vicinity of the flap side edge and downstream of the flap trailing edge are used to highlight the effects of gear presence on tip vortex development and the ability of the computational tools to accurately capture such effects. The present study indicates that both computed datasets contain enough detail to construct a relatively accurate depiction of gear-flap flow interaction. Such a finding increases confidence in using the simulated volumetric flow solutions to examine the behavior of pertinent aer-odynamic mechanisms within the gear-flap interaction zone.

A Comparative Study of Actuator Configurations for Satellite Attitude Control

Directory of Open Access Journals (Sweden)

Raymond Kristiansen

2005-10-01

Full Text Available In this paper a controllability study of different actuator configurations consisting of magnetic torquers, reaction wheels and a gravity boom is presented. The theoretical analysis is performed with use of controllability gramians, and simulation results with the different configurations are presented and compared regarding settling time and power consumption to substantiate the theoretical analysis. A reference model is also introduced to show how the power consumption can he lowered to the same magnitude as when magnetic torquers are used, without degrading the satellite response significantly.

The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods

DEFF Research Database (Denmark)

Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.

2011-01-01

The Rydberg states in the vacuum ultraviolet photoabsorption spectrum of 1,2,3-triazole have been measured and analyzed with the aid of comparison to the UV valence photoelectron ionizations and the results of ab initio configuration interaction (CI) calculations. Calculated electronic ionization...... and excitation energies for singlet, triplet valence, and Rydberg states were obtained using multireference multiroot CI procedures with an aug-cc-pVTZ [5s3p3d1f] basis set and a set of Rydberg [4s3p3d3f] functions. Adiabatic excitation energies obtained for several electronic states using coupled...... are the excitations consistent with an f-series....

Controlling the high frequency response of H{sub 2} by ultra-short tailored laser pulses: A time-dependent configuration interaction study

Energy Technology Data Exchange (ETDEWEB)

Schönborn, Jan Boyke; Saalfrank, Peter; Klamroth, Tillmann, E-mail: klamroth@uni-potsdam.de [Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Str. 24-25, D-14476 Potsdam-Golm (Germany)

2016-01-28

We combine the stochastic pulse optimization (SPO) scheme with the time-dependent configuration interaction singles method in order to control the high frequency response of a simple molecular model system to a tailored femtosecond laser pulse. For this purpose, we use H{sub 2} treated in the fixed nuclei approximation. The SPO scheme, as similar genetic algorithms, is especially suited to control highly non-linear processes, which we consider here in the context of high harmonic generation. Here, we will demonstrate that SPO can be used to realize a “non-harmonic” response of H{sub 2} to a laser pulse. Specifically, we will show how adding low intensity side frequencies to the dominant carrier frequency of the laser pulse and stochastically optimizing their contribution can create a high-frequency spectral signal of significant intensity, not harmonic to the carrier frequency. At the same time, it is possible to suppress the harmonic signals in the same spectral region, although the carrier frequency is kept dominant during the optimization.

Exponentially more precise quantum simulation of fermions in the configuration interaction representation

Science.gov (United States)

Babbush, Ryan; Berry, Dominic W.; Sanders, Yuval R.; Kivlichan, Ian D.; Scherer, Artur; Wei, Annie Y.; Love, Peter J.; Aspuru-Guzik, Alán

2018-01-01

We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in Babbush et al (2016 New Journal of Physics 18, 033032), we employ a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. The algorithm of this paper involves simulation under an oracle for the sparse, first-quantized representation of the molecular Hamiltonian known as the configuration interaction (CI) matrix. We construct and query the CI matrix oracle to allow for on-the-fly computation of molecular integrals in a way that is exponentially more efficient than classical numerical methods. Whereas second-quantized representations of the wavefunction require \\widetilde{{ O }}(N) qubits, where N is the number of single-particle spin-orbitals, the CI matrix representation requires \\widetilde{{ O }}(η ) qubits, where η \\ll N is the number of electrons in the molecule of interest. We show that the gate count of our algorithm scales at most as \\widetilde{{ O }}({η }2{N}3t).

Two-electron states of a group-V donor in silicon from atomistic full configuration interactions

Science.gov (United States)

Tankasala, Archana; Salfi, Joseph; Bocquel, Juanita; Voisin, Benoit; Usman, Muhammad; Klimeck, Gerhard; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.; Rogge, Sven; Rahman, Rajib

2018-05-01

Two-electron states bound to donors in silicon are important for both two-qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multielectron exchange and correlation effects taking into account the full band structure of silicon and the atomic-scale granularity of a nanoscale device. Excited s -like states of A1 symmetry are found to strongly influence the charging energy of a negative donor center. We apply the technique on subsurface dopants subjected to gate electric fields and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the two-electron states in various confinement regimes, may enable engineering electrical control of spins in donor-dot hybrid qubits.

Molecular dynamics simulation of equilibrium configurations of plasmas containing multi-species dusts

International Nuclear Information System (INIS)

Liu, Yanhong; Chew, Lock Yue

2007-01-01

Equilibrium configurations of dusty plasmas with grains of different sizes, which interact through a screened Coulomb force field and confined by a two-dimensional quadratic potential, are studied using molecular dynamics simulation. The system configuration depends on the sizes, masses and charges of the grain species as well as the screening strength of the background plasma. The consideration of the grain size has established a different equilibrium configuration relative to that of point grains. In the new configurations, grains of different species separate into different shells, with the grains of larger mass and charge located away from the system center, forming a shell that surrounds the grains of smaller mass and charge at the system center. This configuration occurs beyond a critical grain radius, and its structure and size are determined by the competing effects between the inter-grain electrostatic repulsive force, the screening effect of the plasma and the mass-dependent confinement force of the quadratic potential

Evaluation of Early Ground Control Station Configurations for Interacting with a UAS Traffic Management (UTM) System

Science.gov (United States)

Dao, Arik-Quang V.; Martin, Lynne; Mohlenbrink, Christoph; Bienert, Nancy; Wolte, Cynthia; Gomez, Ashley; Claudatos, Lauren; Mercer, Joey

2017-01-01

The purpose of this paper is to report on a human factors evaluation of ground control station design concepts for interacting with an unmanned traffic management system. The data collected for this paper comes from recent field tests for NASA's Unmanned Traffic Management (UTM) project, and covers the following topics; workload, situation awareness, as well as flight crew communication, coordination, and procedures. The goal of this evaluation was to determine if the various software implementations for interacting with the UTM system can be described and classified into design concepts to provide guidance for the development of future UTM interfaces. We begin with a brief description of NASA's UTM project, followed by a description of the test range configuration related to a second development phase. We identified (post hoc) two classes in which the ground control stations could be grouped. This grouping was based on level of display integration. The analysis was exploratory and informal. It was conducted to compare ground stations across those two classes and against the aforementioned topics. Herein, we discuss the results.

The Influence of Green Supply Chain Integration on Firm Performance: A Contingency and Configuration Perspective

Directory of Open Access Journals (Sweden)

Yongtao Song

2017-05-01

Full Text Available This study investigates the impacts of three dimensions of green supply chain integration (GSCI on operational and financial performance, from both a contingency and a configuration perspective. From the contingency perspective, we used hierarchical regression to determine the impacts of individual GSCI dimensions (green internal, customer and supplier integration and their interactions on firm performance. From the configuration perspective, we used cluster analysis to develop patterns of GSCI, which were analyzed in terms of GSCI strength and balance. Analysis of variance was used to examine the relationship between GSCI pattern and firm performance. We used data collected from manufacturing firms in Shanxi, Shandong, Beijing, Guangdong and Jiangsu to test hypotheses. The findings from both the contingency and configuration perspective indicate that GSCI was related to both operational and financial performance. Furthermore, the interaction between green internal integration and green customer integration was positively related to both operational and financial performance, while the interaction between green internal integration and green supplier integration was negatively related to financial performance. The interaction between green customer integration and green supplier integration was positively related to financial performance.

Supply strategy configuration in fragmented production systems: An empirical study

Directory of Open Access Journals (Sweden)

Claudia Chackelson

2013-07-01

Full Text Available Purpose: Companies survive in saturated markets trying to be more productive and more efficient. In this context, it becomes critical for companies to manage the entire supply network to optimize overall performance.  Hence, the supply strategy plays an important role because it influences the way in which production and logistics network has to be configured and managed. This paper explores the benefits obtained configuring different supply strategies adapted to customer needs.Design/methodology/approach: For this purpose a case research from a Tier 2 point of view of the supply chain has been conducted. Findings and Originality/value: The case research demonstrates that a higher service level, less holding costs and increase turnovers can be obtained implementing the adequate supply strategy. Originality/value: There is a scarcity of research specifically focused on applied Supply Chain Principles within network configuration processes. Moreover, there are few empirical studies of global Tier 2 with multiple decoupling points into its supply chain network.

A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations

International Nuclear Information System (INIS)

Aktulga, Hasan Metin; Afibuzzaman, Md.; Williams, Samuel; Buluc, Aydin; Shao, Meiyue

2017-01-01

As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. Here, we consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We then present techniques to significantly improve the SpMM and the transpose operation SpMM T by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.

Optimization study for the experimental configuration of CMB-S4

Science.gov (United States)

Barron, Darcy; Chinone, Yuji; Kusaka, Akito; Borril, Julian; Errard, Josquin; Feeney, Stephen; Ferraro, Simone; Keskitalo, Reijo; Lee, Adrian T.; Roe, Natalie A.; Sherwin, Blake D.; Suzuki, Aritoki

2018-02-01

The CMB Stage 4 (CMB-S4) experiment is a next-generation, ground-based experiment that will measure the cosmic microwave background (CMB) polarization to unprecedented accuracy, probing the signature of inflation, the nature of cosmic neutrinos, relativistic thermal relics in the early universe, and the evolution of the universe. CMB-S4 will consist of O(500,000) photon-noise-limited detectors that cover a wide range of angular scales in order to probe the cosmological signatures from both the early and late universe. It will measure a wide range of microwave frequencies to cleanly separate the CMB signals from galactic and extra-galactic foregrounds. To advance the progress towards designing the instrument for CMB-S4, we have established a framework to optimize the instrumental configuration to maximize its scientific output. The framework combines cost and instrumental models with a cosmology forecasting tool, and evaluates the scientific sensitivity as a function of various instrumental parameters. The cost model also allows us to perform the analysis under a fixed-cost constraint, optimizing for the scientific output of the experiment given finite resources. In this paper, we report our first results from this framework, using simplified instrumental and cost models. We have primarily studied two classes of instrumental configurations: arrays of large-aperture telescopes with diameters ranging from 2–10 m, and hybrid arrays that combine small-aperture telescopes (0.5-m diameter) with large-aperture telescopes. We explore performance as a function of telescope aperture size, distribution of the detectors into different microwave frequencies, survey strategy and survey area, low-frequency noise performance, and balance between small and large aperture telescopes for hybrid configurations. Both types of configurations must cover both large (~ degree) and small (~ arcmin) angular scales, and the performance depends on assumptions for performance vs. angular scale

Remembering facial configurations.

Science.gov (United States)

Bruce, V; Doyle, T; Dench, N; Burton, M

1991-02-01

Eight experiments are reported showing that subjects can remember rather subtle aspects of the configuration of facial features to which they have earlier been exposed. Subjects saw several slightly different configurations (formed by altering the relative placement of internal features of the face) of each of ten different faces, and they were asked to rate the apparent age and masculinity-femininity of each. Afterwards, subjects were asked to select from pairs of faces the configuration which was identical to one previously rated. Subjects responded strongly to the central or "prototypical" configuration of each studied face where this was included as one member of each test pair, whether or not it had been studied (Experiments 1, 2 and 4). Subjects were also quite accurate at recognizing one of the previously encountered extremes of the series of configurations that had been rated (Experiment 3), but when unseen prototypes were paired with seen exemplars subjects' performance was at chance (Experiment 5). Prototype learning of face patterns was shown to be stronger than that for house patterns, though both classes of patterns were affected equally by inversion (Experiment 6). The final two experiments demonstrated that preferences for the prototype could be affected by instructions at study and by whether different exemplars of the same face were shown consecutively or distributed through the study series. The discussion examines the implications of these results for theories of the representation of faces and for instance-based models of memory.

Formal Verification Method for Configuration of Integrated Modular Avionics System Using MARTE

Directory of Open Access Journals (Sweden)

Lisong Wang

2018-01-01

Full Text Available The configuration information of Integrated Modular Avionics (IMA system includes almost all details of whole system architecture, which is used to configure the hardware interfaces, operating system, and interactions among applications to make an IMA system work correctly and reliably. It is very important to ensure the correctness and integrity of the configuration in the IMA system design phase. In this paper, we focus on modelling and verification of configuration information of IMA/ARINC653 system based on MARTE (Modelling and Analysis for Real-time and Embedded Systems. Firstly, we define semantic mapping from key concepts of configuration (such as modules, partitions, memory, process, and communications to components of MARTE element and propose a method for model transformation between XML-formatted configuration information and MARTE models. Then we present a formal verification framework for ARINC653 system configuration based on theorem proof techniques, including construction of corresponding REAL theorems according to the semantics of those key components of configuration information and formal verification of theorems for the properties of IMA, such as time constraints, spatial isolation, and health monitoring. After that, a special issue of schedulability analysis of ARINC653 system is studied. We design a hierarchical scheduling strategy with consideration of characters of the ARINC653 system, and a scheduling analyzer MAST-2 is used to implement hierarchical schedule analysis. Lastly, we design a prototype tool, called Configuration Checker for ARINC653 (CC653, and two case studies show that the methods proposed in this paper are feasible and efficient.

Elastic interaction of a crack with a microcrack array. I - Formulation of the problem and general form of the solution. II - Elastic solution for two crack configurations (piecewise constant and linear approximations)

Science.gov (United States)

Chudnovsky, A.; Dolgopolsky, A.; Kachanov, M.

1987-01-01

The elastic interactions of a two-dimensional configuration consisting of a crack with an array of microcracks located near the tip are studied. The general form of the solution is based on the potential representations and approximations of tractions on the microcracks by polynomials. In the second part, the technique is applied to two simple two-dimensional configurations involving one and two microcracks. The problems of stress shielding and stress amplification (the reduction or increase of the effective stress intensity factor due to the presence of microcracks) are discussed, and the refinements introduced by higher order polynomial approximations are illustrated.

The Periodic Table as a Mnemonic Device for Writing Electronic Configurations.

Science.gov (United States)

Mabrouk, Suzanne T.

2003-01-01

Presents an interactive method for using the periodic table as an effective mnemonic for writing electronic configurations. Discusses the intrinsic relevance of configurations to chemistry by building upon past analogies. Addresses pertinent background information, describes the hands-on method, and demonstrates its use. Transforms the traditional…

STUDY OF EXPERIMENTAL SAMPLES WITH DIFFERENT CONFIGURATIONS AT THE JOINTS COMPRESSIVE STRENGTH

Directory of Open Access Journals (Sweden)

E. N. Magomedova

2013-01-01

Full Text Available The article marked the behavior of concrete under the action of water, the effect of moisture and water saturation on the performance and durability of concrete waterproofing; offered special configuration interface, allowing to increase the strength characteristics of the concrete structure, the results of experimental studies; conclusions about the relationship configuration of joints and their strength.

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

International Nuclear Information System (INIS)

Overy, Catherine; Blunt, N. S.; Shepherd, James J.; Booth, George H.; Cleland, Deidre; Alavi, Ali

2014-01-01

Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems

Study of bypass diodes configuration on PV modules

Energy Technology Data Exchange (ETDEWEB)

Silvestre, S.; Boronat, A.; Chouder, A. [Electronics Engineering Department - UPC., C/Jordi Girona 1-3, Modul C4 Campus Nord UPC., 08034 Barcelona (Spain)

2009-09-15

A procedure of simulation and modelling solar cells and PV modules, working partially shadowed in Pspice environment, is presented. Simulation results have been contrasted with real measured data from a commercial PV module of 209 Wp from Siliken. Some cases of study are presented as application examples of this simulation methodology, showing its potential on the design of bypass diodes configuration to include in a PV module and also on the study of PV generators working in partial shading conditions. (author)

Interaction of Fast Ions with Global Plasma Modes in the C-2 Field Reversed Configuration Experiment

Science.gov (United States)

Smirnov, Artem; Dettrick, Sean; Clary, Ryan; Korepanov, Sergey; Thompson, Matthew; Trask, Erik; Tuszewski, Michel

2012-10-01

A high-confinement operating regime [1] with plasma lifetimes significantly exceeding past empirical scaling laws was recently obtained by combining plasma gun edge biasing and tangential Neutral Beam Injection (NBI) in the C-2 field-reversed configuration (FRC) experiment [2, 3]. We present experimental and computational results on the interaction of fast ions with the n=2 rotational and n=1 wobble modes in the C-2 FRC. It is found that the n=2 mode is similar to quadrupole magnetic fields in its detrimental effect on the fast ion transport due to symmetry breaking. The plasma gun generates an inward radial electric field, thus stabilizing the n=2 rotational instability without applying the quadrupole magnetic fields. The resultant FRCs are nearly axisymmetric, which enables fast ion confinement. The NBI further suppresses the n=2 mode, improves the plasma confinement characteristics, and increases the plasma configuration lifetime [4]. The n=1 wobble mode has relatively little effect on the fast ion transport, likely due to the approximate axisymmetry about the displaced plasma column. [4pt] [1] M. Tuszewski et al., Phys. Rev. Lett. 108, 255008 (2012).[0pt] [2] M. Binderbauer et al., Phys. Rev. Lett. 105, 045003 (2010).[0pt] [3] H.Y. Guo et al., Phys. Plasmas 18, 056110 (2011).[0pt] [4] M. Tuszewski et al., Phys. Plasmas 19, 056108 (2012)

A Numerical Study on Hydrodynamic Interactions between Dynamic Positioning Thrusters

Energy Technology Data Exchange (ETDEWEB)

Jin, Doo Hwa; Lee, Sang Wook [University of Ulsan, Ulsan (Korea, Republic of)

2017-06-15

In this study, we conducted computational fluid dynamics (CFD) simulations for the unsteady hydrodynamic interaction of multiple thrusters by solving Reynolds averaged Navier-Stokes equations. A commercial CFD software, STAR-CCM+ was used for all simulations by employing a ducted thruster model with combination of a propeller and No. 19a duct. A sliding mesh technique was used to treat dynamic motion of propeller rotation and non-conformal hexahedral grid system was considered. Four different combinations in tilting and azimuth angles of the thrusters were considered to investigate the effects on the propulsion performance. We could find that thruster-hull and thruster-thruster interactions has significant effect on propulsion performance and further study will be required for the optimal configurations with the best tilting and relative azimuth angle between thrusters.

Experimental study of flow field characteristics on bed configurations in the pebble bed reactor

International Nuclear Information System (INIS)

Jia, Xinlong; Gui, Nan; Yang, Xingtuan; Tu, Jiyuan; Jia, Haijun; Jiang, Shengyao

2017-01-01

Highlights: • PTV study of flow fields of pebble bed reactor with different configurations are carried out. • Some criteria are proposed to quantify vertical velocity field and flow uniformity. • The effect of different pebble bed configurations is also compared by the proposed criteria. • The displacement thickness is used analogically to analyze flow field characteristics. • The effect of mass flow variation in the stagnated region of the funnel flow is measured. - Abstract: The flow field characteristics are of fundamental importance in the design work of the pebble bed high temperature gas cooled reactor (HTGR). The different effects of bed configurations on the flow characteristics of pebble bed are studied through the PTV (Particle Tracking Velocimetry) experiment. Some criteria, e.g. flow uniformity (σ) and mass flow level (α), are proposed to estimate vertical velocity field and compare the bed configurations. The distribution of the Δθ (angle difference between the individual particle velocity and the velocity vector sum of all particles) is also used to estimate the resultant motion consistency level. Moreover, for each bed configuration, the thickness of displacement is analyzed to measure the effect of the funnel flow zone based on the boundary layer theory. Detailed information shows the quantified characteristics of bed configuration effects on flow uniformity and other characteristics; and the sequence of levels of each estimation criterion is obtained for all bed configurations. In addition, a good design of the pebble bed configuration is suggested and these estimation criteria can be also applied and adopted in testing other geometry designs of pebble bed.

A Configuration Model of Organizational Culture

Directory of Open Access Journals (Sweden)

Daniel Dauber

2012-01-01

Full Text Available The article proposes a configuration model of organizational culture, which explores dynamic relationships between organizational culture, strategy, structure, and operations of an organization (internal environment and maps interactions with the external environment (task and legitimization environment. A major feature of the configuration model constitutes its well-defined processes, which connect the elements of the model systematically to each other, such as single- and double-loop learning, operationalization of strategies, legitimization management, and so on. The model is grounded in a large review of literature in different research areas and builds on widely recognized models in the field of organization and culture theory. It constitutes a response to the call for new models, which are able to explain and facilitate the exploration of the empirical complexity that organizations face today. The configuration model of organizational culture is of particular interest to scholars who investigate into cultural phenomena and change over time.

Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations

Energy Technology Data Exchange (ETDEWEB)

Aktulga, Hasan Metin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Buluc, Aydin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2014-08-14

Obtaining highly accurate predictions on the properties of light atomic nuclei using the configuration interaction (CI) approach requires computing a few extremal Eigen pairs of the many-body nuclear Hamiltonian matrix. In the Many-body Fermion Dynamics for nuclei (MFDn) code, a block Eigen solver is used for this purpose. Due to the large size of the sparse matrices involved, a significant fraction of the time spent on the Eigen value computations is associated with the multiplication of a sparse matrix (and the transpose of that matrix) with multiple vectors (SpMM and SpMM-T). Existing implementations of SpMM and SpMM-T significantly underperform expectations. Thus, in this paper, we present and analyze optimized implementations of SpMM and SpMM-T. We base our implementation on the compressed sparse blocks (CSB) matrix format and target systems with multi-core architectures. We develop a performance model that allows us to understand and estimate the performance characteristics of our SpMM kernel implementations, and demonstrate the efficiency of our implementation on a series of real-world matrices extracted from MFDn. In particular, we obtain 3-4 speedup on the requisite operations over good implementations based on the commonly used compressed sparse row (CSR) matrix format. The improvements in the SpMM kernel suggest we may attain roughly a 40% speed up in the overall execution time of the block Eigen solver used in MFDn.

MCTS Microsoft SharePoint 2010 Configuration Study Guide Exam 70-667

CERN Document Server

Pyles, James

2010-01-01

A Sybex study guide for the new SharePoint Server 2010 Configuration examSharePoint holds 55 percent of the collaboration and content management market, with many more companies indicating they plan to join the fold. IT professionals interested in enhancing their marketability with the new Microsoft Certified Technology Specialist: Microsoft SharePoint Server 2010 Configuring exam will find this guide may be their only alternative to costly classroom training.Microsoft SharePoint claims over half the market for collaboration and content management software; IT professionals will boost their ma

Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

Energy Technology Data Exchange (ETDEWEB)

Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

2015-01-13

Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

Speech perception with mono- and quadrupolar electrode configurations: a crossover study.

NARCIS (Netherlands)

Mens, L.H.M.; Berenstein, C.K.

2005-01-01

OBJECTIVE: To study the effect of two multipolar electrode configurations on speech perception, pitch perception, and the intracochlear electrical field. STUDY DESIGN: Crossover design; within subject. SETTING: Tertiary referral center. PATIENTS: Eight experienced adult cochlear implant users.

Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

International Nuclear Information System (INIS)

Thompson, K.; Martinez, T.J.

1999-01-01

We present a new approach to first-principles molecular dynamics that combines a general and flexible interpolation method with ab initio evaluation of the potential energy surface. This hybrid approach extends significantly the domain of applicability of ab initio molecular dynamics. Use of interpolation significantly reduces the computational effort associated with the dynamics over most of the time scale of interest, while regions where potential energy surfaces are difficult to interpolate, for example near conical intersections, are treated by direct solution of the electronic Schroedinger equation during the dynamics. We demonstrate the concept through application to the nonadiabatic dynamics of collisional electronic quenching of Li(2p). Full configuration interaction is used to describe the wave functions of the ground and excited electronic states. The hybrid approach agrees well with full ab initio multiple spawning dynamics, while being more than an order of magnitude faster. copyright 1999 American Institute of Physics

Observed benefits from product configuration systems

DEFF Research Database (Denmark)

Hvam, Lars; Haug, Anders; Mortensen, Niels Henrik

2013-01-01

This article presents a study of the benefits obtained from applying product configuration systems based on a case study in four industry companies. The impacts are described according to main objectives in literature for imple-menting product configuration systems: lead time in the specification...... affected by the use of product configu-ration systems e.g. increased sales, decrease in the number of SKU's, improved ability to introduce new products, and cost reductions.......This article presents a study of the benefits obtained from applying product configuration systems based on a case study in four industry companies. The impacts are described according to main objectives in literature for imple-menting product configuration systems: lead time in the specification...... processes, on-time delivery of the specifica-tions, and resource consumption for making specifications, quality of specifications, optimization of products and services, and other observations. The purpose of the study is partly to identify specific impacts observed from implementing product configuration...

Nanomechanics modeling of carbon nanotubes interacting with surfaces in various configurations

Science.gov (United States)

Wu, Yu-Chiao

Carbon nanotubes (CNTs) have been widely used as potential components in reported nanoelectromechanical (NEM) devices due to their excellent mechanical and electrical properties. This thesis models the experiments by the continuum mechanics in two distinct scenarios. In the first situation, measurements are made of CNT configurations after manipulations. Modeling is then used to determine the interfacial properties during the manipulation which led to the observed configuration. This technique is used to determine the shear stress between a SWNT bundle and other materials. During manipulation, a SWNT bundle slipped on two micro-cantilevers. According to the slack due to the slippage after testing and the device configuration, the shear stress between a SWNT bundle and other materials can be determined. In another model, the work of adhesion was determined on two accidentally fabricated devices. Through the configuration of two SWNT adhered bundles and the force-distance curves measured by an atomic force microscope (AFM), modeling was used to determine the work of adhesion between two bundles and the shear stress at the SWNT-substrate interface. In the second situation, modeling is used in a more traditional fashion to make theoretical predictions as to how a device will operate. Using this technique, the actuation mechanism of a single-trench SWNT-based switch was investigated. During the actuation, the deflection-induced tension causes the SWNT bundle to slip on both platforms and to be partially peeled from two side recessed electrodes. These effects produce a slack which reduces the threshold voltages subsequent to the first actuation. The result shows excellent agreement between the theory and the measurement. Furthermore, the operation of a double-trenched SWNT-based switch was investigated. A slack is produced in the 1st actuated trench region by the slip and peeling effects. This slack reduces the 2nd actuation voltage in the neighbor trench. Finally, the

Field-reversed configuration translation studies in FRX-C/T

International Nuclear Information System (INIS)

Chrien, R.E.; Armstrong, W.T.; Klingner, P.L.; Linford, R.K.; McKenna, K.F.; Rej, D.J.; Sherwood, E.G.; Siemon, R.E.; Tuszewski, M.

1984-01-01

Field-Reversed Configuration (FRC) translation is being studied in the FRX-C/T device. The main goals of this experiment are to demonstrate translation into a dc field region with minimal losses and to study modification of the equilibrium profiles of the FRC by varying x/sub s/, the ratio of separatrix radius (r/sub s/) to conducting wall radius (r/sub w/), through translation. FRC's are formed with a range of densities (1→5 x 10/sup 15/ cm/sup -3/) and x/sub s/ (0.35→0.55) in the FRX-C source, configured as a slightly conical theta pinch coil (r/sub w/ increases from 0.22 m to 0.28 m in four steps over 2 m). In 10→40 μs after formation, the FRC enters a 0.20-m radius stainless steel vessel with a dc field up to 8 kG. The translation velocity varies from 5→12 cm/μs and is typically about one-half the FRC Alfven velocity

Supercritical fluid extraction: spectroscopic study of interactions comparison to solvent extraction

Energy Technology Data Exchange (ETDEWEB)

Rustenholtz Farawila, A

2005-06-15

Supercritical fluid carbon dioxide (SF-CO{sub 2}) was chosen to study Supercritical Fluid Extraction (SFE) of cesium and uranium. At first, crown ethers were considered as chelating agents for the SFE of cesium. The role of water and its interaction with crown ethers were especially studied using Fourier-Transform Infra-Red (FT-IR) spectroscopy in SF-CO{sub 2}. A sandwich configuration between two crown ethers and a water molecule was observed in the SF-CO{sub 2} phase for the first time. The equilibrium between the single and the bridge configurations was defined. The enthalpy of the hydrogen bond formation was also calculated. These results were then compared to the one in different mixtures of chloroform and carbon tetra-chloride using Nuclear Magnetic Resonance (NMR). To conclude this first part and in order to understand the whole picture of the recovery of cesium, I studied the role of water in the equilibrium between the cesium and the di-cyclo-hexano18-crown-6.In a second part, the supercritical fluid extraction of uranium was studied in SF-CO{sub 2}. For this purpose, different complexes of Tributyl Phosphate (TBP), nitric acid and water were used as chelating and oxidizing agents. I first used FT-IR to study the TBP-water interaction in SF-CO{sub 2}. These results were then compared to the one obtained with NMR in chloroform. NMR spectroscopy was also used to understand the TBP-nitric acid-water interaction first alone and then in chloroform. To conclude my research work, I succeeded to improve the efficiency of uranium extraction and stripping into water for a pilot-plant where enriched uranium is extracted from incinerated waste coming from nuclear fuel fabrication. TBP-nitric acid complexes were used in SF-CO{sub 2} for the extraction of uranium from ash. (author)

Supercritical fluid extraction: spectroscopic study of interactions comparison to solvent extraction

International Nuclear Information System (INIS)

Rustenholtz Farawila, A.

2005-06-01

Supercritical fluid carbon dioxide (SF-CO 2 ) was chosen to study Supercritical Fluid Extraction (SFE) of cesium and uranium. At first, crown ethers were considered as chelating agents for the SFE of cesium. The role of water and its interaction with crown ethers were especially studied using Fourier-Transform Infra-Red (FT-IR) spectroscopy in SF-CO 2 . A sandwich configuration between two crown ethers and a water molecule was observed in the SF-CO 2 phase for the first time. The equilibrium between the single and the bridge configurations was defined. The enthalpy of the hydrogen bond formation was also calculated. These results were then compared to the one in different mixtures of chloroform and carbon tetra-chloride using Nuclear Magnetic Resonance (NMR). To conclude this first part and in order to understand the whole picture of the recovery of cesium, I studied the role of water in the equilibrium between the cesium and the di-cyclo-hexano18-crown-6.In a second part, the supercritical fluid extraction of uranium was studied in SF-CO 2 . For this purpose, different complexes of Tributyl Phosphate (TBP), nitric acid and water were used as chelating and oxidizing agents. I first used FT-IR to study the TBP-water interaction in SF-CO 2 . These results were then compared to the one obtained with NMR in chloroform. NMR spectroscopy was also used to understand the TBP-nitric acid-water interaction first alone and then in chloroform. To conclude my research work, I succeeded to improve the efficiency of uranium extraction and stripping into water for a pilot-plant where enriched uranium is extracted from incinerated waste coming from nuclear fuel fabrication. TBP-nitric acid complexes were used in SF-CO 2 for the extraction of uranium from ash. (author)

Relativistic configuration interaction calculation on the ground and excited states of iridium monoxide

International Nuclear Information System (INIS)

Suo, Bingbing; Yu, Yan-Mei; Han, Huixian

2015-01-01

We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with 4 Σ − and 2 Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm −1 above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm −1 of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm −1 , which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths

The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations

International Nuclear Information System (INIS)

Palmer, Michael H.; Ridley, Trevor; Hoffmann, Søren Vrønning; Jones, Nykola C.; Coreno, Marcello; Simone, Monica de; Grazioli, Cesare; Biczysko, Malgorzata; Baiardi, Alberto

2015-01-01

New valence electron photoelectron spectra of iodobenzene obtained using synchrotron radiation have been recorded. Ionization energies (IEs) determined using multi-configuration SCF calculation (MCSCF) procedures confirmed the adiabatic IE order as: X 2 B 1 studies. The calculated Franck-Condon vibrational spectral envelopes, including hot band contributions, for the first four ionic states reproduce the observed peak positions and intensities with reasonable accuracy. In order to simulate the observed spectra, different bandwidths are required for different states. The increase in the required bandwidths for the A 2 A 2 and B 2 B 2 states is attributed to internal conversion to lower-lying states. The presence of relatively high intensity sequence bands leads to asymmetry of each of the X 2 B 1 state bands

A study of the neutrino-gravitation interaction

International Nuclear Information System (INIS)

Soares, I.D.

1976-01-01

A study of the neutrino-gravitation interaction is made in the framework of Einstein-Dirac coupled equations. Two classes of solutions are obtained, corresponding to two specific physical situations. One cosmological model with expansion is obtained, having neutrinos as the only curvature source; their properties and the parameters which can to characterize the solution as a cosmological model are studied. The second class of solutions corresponds to a naive complete model of a spherically symmetric star emitting neutrinos: the inner region is suposed to be built up of a spherically symmetric distribution of a perfect fluid, bounded in space and which emitts neutrinos; the star matter is considered transparent for neutrinos; the outer region contains only neutrinos and gravitational field. The problem of neutrino compatibility with spherically symmetric gravitational fields is examined. The local conservation laws and the function conditions of the inner and outer solutions in the fluid surface are studied and permit to characterize two kinds of solutions. In one case, the solution describes the neutrino emission phase, with consequent configuration contraction, immediately before the fluid to be completely contained in the interior of the schwarzchild radius, when the neutrino emission and the star contraction stop. The other possibility can correspond to a quasi-stationary configuration, with neutrino emission, where the relativistic equation of radiative equilibrium permits to define the equivalent of 'Radiation pressure' for neutrinos, which acts in the same sense of the gravitational pressure. (L.C.) [pt

Vortex lattices in different configurations of periodic pinning line-arrays

International Nuclear Information System (INIS)

Lima, Clessio Leao S.; Cabral, Leonardo R.E.; Souza Silva, Clecio C. de; Aguiar, J. Albino

2006-01-01

The vortex lattice (VL) ground-state configurations are found using Monte Carlo (MC) simulated annealing with a local molecular dynamics (MD) in the London limit. We study the field dependence of the melting temperature for commensurate and incommensurate vortex lattices interacting with different periodic arrays of pinning. We also investigated the proliferation of topological defects and its dependence on the periodic pinning array symmetry and temperature

Business Model Process Configurations

DEFF Research Database (Denmark)

Taran, Yariv; Nielsen, Christian; Thomsen, Peter

2015-01-01

, by developing (inductively) an ontological classification framework, in view of the BM process configurations typology developed. Design/methodology/approach – Given the inconsistencies found in the business model studies (e.g. definitions, configurations, classifications) we adopted the analytical induction...

Depletion interactions in lyotropic nematics

NARCIS (Netherlands)

Schoot, van der P.P.A.M.

2000-01-01

A theoretical study of depletion interactions between pairs of small, globular colloids dispersed in a lyotropic nematic of hard, rodlike particles is presented. We find that both the strength and range of the interaction crucially depends on the configuration of the spheres relative to the nematic

Amino Acid Interaction (INTAA) web server.

Science.gov (United States)

Galgonek, Jakub; Vymetal, Jirí; Jakubec, David; Vondrášek, Jirí

2017-07-03

Large biomolecules-proteins and nucleic acids-are composed of building blocks which define their identity, properties and binding capabilities. In order to shed light on the energetic side of interactions of amino acids between themselves and with deoxyribonucleotides, we present the Amino Acid Interaction web server (http://bioinfo.uochb.cas.cz/INTAA/). INTAA offers the calculation of the residue Interaction Energy Matrix for any protein structure (deposited in Protein Data Bank or submitted by the user) and a comprehensive analysis of the interfaces in protein-DNA complexes. The Interaction Energy Matrix web application aims to identify key residues within protein structures which contribute significantly to the stability of the protein. The application provides an interactive user interface enhanced by 3D structure viewer for efficient visualization of pairwise and net interaction energies of individual amino acids, side chains and backbones. The protein-DNA interaction analysis part of the web server allows the user to view the relative abundance of various configurations of amino acid-deoxyribonucleotide pairs found at the protein-DNA interface and the interaction energies corresponding to these configurations calculated using a molecular mechanical force field. The effects of the sugar-phosphate moiety and of the dielectric properties of the solvent on the interaction energies can be studied for the various configurations. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Interactive baby feeding bottle

NARCIS (Netherlands)

2013-01-01

An interactive baby bottle with an electronic unit is disclosed. The electronic unit comprises a sensor unit configured to sense the heart beat of a person bottle feeding a baby and an actuator unit configured to transmit the sensed heart beat to the baby. The disclosed interactive baby bottle can

Compensation of the long-range beam-beam interactions as a path towards new configurations for the high luminosity LHC

Directory of Open Access Journals (Sweden)

Stéphane Fartoukh

2015-12-01

Full Text Available Colliding bunch trains in a circular collider demands a certain crossing angle in order to separate the two beams transversely after the collision. The magnitude of this crossing angle is a complicated function of the bunch charge, the number of long-range beam-beam interactions, of β^{*} and type of optics (flat or round, and possible compensation or additive effects between several low-β insertions in the ring depending on the orientation of the crossing plane at each interaction point. About 15 years ago, the use of current bearing wires was proposed at CERN in order to mitigate the long-range beam-beam effects [J. P. Koutchouk, CERN Report No. LHC-Project-Note 223, 2000], therefore offering the possibility to minimize the crossing angle with all the beneficial effects this might have: on the luminosity performance by reducing the need for crab-cavities or lowering their voltage, on the required aperture of the final focus magnets, on the strength of the orbit corrector involved in the crossing bumps, and finally on the heat load and radiation dose deposited in the final focus quadrupoles. In this paper, a semianalytical approach is developed for the compensation of the long-range beam-beam interactions with current wires. This reveals the possibility of achieving optimal correction through a careful adjustment of the aspect ratio of the β functions at the wire position. We consider the baseline luminosity upgrade plan of the Large Hadron Collider (HL-LHC project, and compare it to alternative scenarios, or so-called “configurations,” where modifications are applied to optics, crossing angle, or orientation of the crossing plane in the two low-β insertions of the ring. For all these configurations, the beneficial impact of beam-beam compensation devices is then demonstrated on the tune footprint, the dynamical aperture, and/or the frequency map analysis of the nonlinear beam dynamics as the main figures of merit.

Conceptualizing Embedded Configuration

DEFF Research Database (Denmark)

Oddsson, Gudmundur Valur; Hvam, Lars; Lysgaard, Ole

2006-01-01

and services. The general idea can be named embedded configuration. In this article we intend to conceptualize embedded configuration, what it is and is not. The difference between embedded configuration, sales configuration and embedded software is explained. We will look at what is needed to make embedded...... configuration systems. That will include requirements to product modelling techniques. An example with consumer electronics will illuminate the elements of embedded configuration in settings that most can relate to. The question of where embedded configuration would be relevant is discussed, and the current...

Lifestyles, spatial configurations and quality of life in daily travel: an explorative simulation study

NARCIS (Netherlands)

Ritsema van Eck, J.; Burghouwt, G.; Dijst, M.

2005-01-01

The aim of this study is to compare a number of local spatial configurations of land use and transport facilities in a Dutch new town to address the question what impact these configurations have on the quality of life of different population categories. The results suggest that concentrating

Theoretical study of the interparticle interaction of nanoparticles randomly dispersed on a substrate

International Nuclear Information System (INIS)

Horikoshi, S.; Kato, T.

2015-01-01

Metal nanoparticles exhibit the phenomenon of localized surface plasmon resonance (LSPR) due to the collective oscillation of their conduction electrons, which is induced by external electromagnetic radiation. The finite-differential time-domain (FDTD) method is widely used as an electromagnetic field analysis tool for nanoparticles. Although the influence of interparticle interactions is taken into consideration in the FDTD calculation for the plural particles configuration, the FDTD calculation of a random configuration is very difficult, particularly in the case of non-spherical particles. In this study, a theoretical calculation method incorporating interparticle interactions on a substrate with various particle shapes and sizes on a subwavelength scale is developed. The interparticle interaction is incorporated following FDTD calculation with an isolated single particle. This is explained systematically using a signal flow graph. Moreover, the mirror image effect of the substrate and the retardation effect are also taken into account in this method. The validity of this method is verified by calculations for simple arrangements of nanoparticles. In addition, it is confirmed that the method can improve the accuracy of predicted experimental results for Au nanoparticles prepared by the sputtering method, in terms of the plasmon peak wavelength. This method may enable the design of LSPR devices by controlling nanoparticle characteristics, such as the size, shape, and distribution density

Competition between intermolecular interaction and configuration entropy as the structure-determining factor for inclusion compounds

Energy Technology Data Exchange (ETDEWEB)

Subbotin, O.; Belosludov, V.; Adamova, T. [Russian Academy of Science, Novosibirsk (Russian Federation). Nikolaev Inst. of Inorganic Chemistry; Belosludov, R.; Kawazoe, Y. [Tohoku Univ., Aoba-ku, Sendai (Japan). Inst. for Materials Research; Kudoh, J.I. [Tohoku Univ., Aoba-ku, Sendai (Japan). Center for Northeast Asia Studies

2008-07-01

This paper presented a newly developed method to accurately predict the thermodynamic properties of clathrate hydrates, particularly their structural phase transitions under pressure. The method is based on the theory of Van-der-Waals and Platteeuw with some modifications that include the influence of guest molecules on the host lattice. The model was used to explain the exception from the established rule that small guest molecules form structure s1 and large molecules form structure s2 hydrates. In this study, the thermodynamic properties of argon (Ar) hydrate and methane hydrate, each in both cubic structure s1 and s2 were modelled. The model showed that two competing factors play a role in the formation of inclusions, notably the intermolecular interaction of guest molecules with water molecules, and the configuration entropy. Competition of these 2 factors determines the structure of hydrate formed at different pressures. The model provides an accurate description of the thermodynamic properties of gas hydrates and how they behave under pressure. For the argon hydrates, the structural phase transition from structure s2 to s1 at high pressure was predicted, while methane hydrates were predicted to be metastable in the s2 structure. The model can be used for other inclusion compounds with the same type of composition such as clathrate silicon, zeolites, and inclusion compounds of semiconductor elements. 17 refs., 5 figs.

CFD Study of Turbo-Ramjet Interactions in Hypersonic Airbreathing Propulsion System

Science.gov (United States)

Chang, Ing; Hunter, Louis G.

1996-01-01

Advanced airbreathing propulsion systems used in Mach 4-6 mission scenarios, usually involve turbo-ramjet configurations. As the engines transition from turbojet to ramjet, there is an operational envelope where both engines operate simultaneously. In the first phase of our study, an over/under nozzle configuration was analyzed. The two plumes from the turbojet and ramjet interact at the end of a common 2-D cowl, where they both reach an approximate Mach 3.0 condition and then jointly expand to Mach 3.6 at the common nozzle exit plane. For the problem analyzed, the turbojet engine operates at a higher nozzle pressure ratio than the ramjet, causes the turbojet plume overpowers the ramjet plume, deflecting it approximately 12 degrees downward and in turn the turbojet plume is deflected 6 degrees upward. In the process, shocks were formed at the deflections and a shear layer formed at the confluence of the two jets. This particular case was experimentally tested and the data were used to compare with a computational fluid dynamics (CFD) study using the PARC2D code. The CFD results were in good agreement with both static pressure distributions on the cowl separator and on nozzle walls. The thrust coefficients were also in reasonable agreement. In addition, inviscid relationships were developed around the confluence point, where the two exhaust jets meet, and these results compared favorably with the CFD results. In the second phase of our study, a 3-D CFD solution was generated to compare with the 2-D solution. The major difference between the 2-D and 3-D solutions was the interaction of the shock waves, generated by the plume interactions, on the sidewall. When a shock wave interacts with a sidewall and sidewall boundary layer, it is called a glancing shock sidewall interaction. These interactions entrain boundary layer flow down the shockline into a vortical flow pattern. The 3-D plots show the streamlines being entrained down the shockline. The pressure of the flow

A configural dominant account of contextual cueing : configural cues are stronger than colour cues

OpenAIRE

Kunar, Melina A.; Johnston, Rebecca; Sweetman, Hollie

2013-01-01

Previous work has shown that reaction times to find a target in displays that have been repeated are faster than those for displays that have never been seen before. This learning effect, termed “contextual cueing” (CC), has been shown using contexts such as the configuration of the distractors in the display and the background colour. However, it is not clear how these two contexts interact to facilitate search. We investigated this here by comparing the strengths of these two cues when they...

Simulation of steam explosion in stratified melt-coolant configuration

International Nuclear Information System (INIS)

Leskovar, Matjaž; Centrih, Vasilij; Uršič, Mitja

2016-01-01

Highlights: • Strong steam explosions may develop spontaneously in stratified configurations. • Considerable melt-coolant premixed layer formed in subcooled water with hot melts. • Analysis with MC3D code provided insight into stratified steam explosion phenomenon. • Up to 25% of poured melt was mixed with water and available for steam explosion. • Better instrumented experiments needed to determine dominant mixing process. - Abstract: A steam explosion is an energetic fuel coolant interaction process, which may occur during a severe reactor accident when the molten core comes into contact with the coolant water. In nuclear reactor safety analyses steam explosions are primarily considered in melt jet-coolant pool configurations where sufficiently deep coolant pool conditions provide complete jet breakup and efficient premixture formation. Stratified melt-coolant configurations, i.e. a molten melt layer below a coolant layer, were up to now believed as being unable to generate strong explosive interactions. Based on the hypothesis that there are no interfacial instabilities in a stratified configuration it was assumed that the amount of melt in the premixture is insufficient to produce strong explosions. However, the recently performed experiments in the PULiMS and SES (KTH, Sweden) facilities with oxidic corium simulants revealed that strong steam explosions may develop spontaneously also in stratified melt-coolant configurations, where with high temperature melts and subcooled water conditions a considerable melt-coolant premixed layer is formed. In the article, the performed study of steam explosions in a stratified melt-coolant configuration in PULiMS like conditions is presented. The goal of this analytical work is to supplement the experimental activities within the PULiMS research program by addressing the key questions, especially regarding the explosivity of the formed premixed layer and the mechanisms responsible for the melt-water mixing. To

Configuration studies with respect to W VII-X

International Nuclear Information System (INIS)

Harmeyer, E.; Kisslinger, J.; Rau, F.; Wobig, H.

1985-01-01

Configurations with helical axis are studied with the aim to find modular coils instead of interlinked circular coils. For this purpose an analytic winding law describing twisted coils has been defined. Starting from a general helical and closed curve a reference plane put up either by two vectors e Z and e R or by the normal and binormal vector of the axis in defined from where on the warping of the coils is measured. Radius and amplitudes of the coils are represented in a Fourier series

Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

International Nuclear Information System (INIS)

Brooks, B.R.

1979-09-01

The Graphical Unitary Group Approach (GUGA) was cast into an extraordinarily powerful form by restructuring the Hamiltonian in terms of loop types. This restructuring allows the adoption of the loop-driven formulation which illuminates vast numbers of previously unappreciated relationships between otherwise distinct Hamiltonian matrix elements. The theoretical/methodological contributions made here include the development of the loop-driven formula generation algorithm, a solution of the upper walk problem used to develop a loop breakdown algorithm, the restriction of configuration space employed to the multireference interacting space, and the restructuring of the Hamiltonian in terms of loop types. Several other developments are presented and discussed. Among these developments are the use of new segment coefficients, improvements in the loop-driven algorithm, implicit generation of loops wholly within the external space adapted within the framework of the loop-driven methodology, and comparisons of the diagonalization tape method to the direct method. It is also shown how it is possible to implement the GUGA method without the time-consuming full (m 5 ) four-index transformation. A particularly promising new direction presented here involves the use of the GUGA methodology to obtain one-electron and two-electron density matrices. Once these are known, analytical gradients (first derivatives) of the CI potential energy are easily obtained. Several test calculations are examined in detail to illustrate the unique features of the method. Also included is a calculation on the asymmetric 2 1 A' state of SO 2 with 23,613 configurations to demonstrate methods for the diagonalization of very large matrices on a minicomputer. 6 figures, 6 tables

Offshore Vendors’ Software Development Team Configurations

DEFF Research Database (Denmark)

Chakraborty, Suranjan; Sarker, Saonee; Rai, Sudhanshu

2012-01-01

This research uses configuration theory and data collected from a major IT vendor organization to examine primary configurations of distributed teams in a global off-shoring context. The study indicates that off-shoring vendor organizations typically deploy three different types of configurations...

Integration, Configuration and Coordination: from Project to Reality, at CERN

CERN Document Server

Barberan Marin, Maria; Bernardini, Marzia; Birtwistle, Thomas; Chemli, Samy; Corso, Jean-Pierre; Coupard, Julie; Foraz, Katy; Grillot, Serge; Muttoni, Yvon; Perrot, Anne-Laure

2016-01-01

The rigorous process in place at CERN to approve and follow-up the implementation of any modification of the LHC machine and its Injectors is presented in this paper. Our methodology implies the support of three teams, in charge of the configuration management, the scheduling and safety coordination, and the 3D integration studies. At each stage of the project the support of the three teams evolves, to provide the adequate support in the preparation phase and during the technical stops and long shutdowns. The formal roles and the processes used to govern the interaction of the Integration, Configuration and Coordination teams, and their relation to the project teams during the preparation and implementation phases, for activities to be performed in LHC and its injector chain are described and discussed.

Reactor Configuration Development for ARIES-CS

International Nuclear Information System (INIS)

Ku LP

2005-01-01

New compact, quasi-axially symmetric stellarator configurations have been developed as part of the ARIES-CS reactor studies. These new configurations have good plasma confinement and transport properties, including low losses of α particles and good integrity of flux surfaces at high β. We summarize the recent progress by showcasing two attractive classes of configurations--configurations with judiciously chosen rotational transforms to avoid undesirable effects of low order resonances on the flux surface integrity and configurations with very small aspect ratios (∼2.5) that have excellent quasi-axisymmetry and low field ripples

Theoretical study of the generation of terahertz radiation by the interaction of two laser beams with graphite nanoparticles

Science.gov (United States)

Sepehri Javan, N.; Rouhi Erdi, F.

2017-12-01

In this theoretical study, we investigate the generation of terahertz radiation by considering the beating of two similar Gaussian laser beams with different frequencies of ω1 and ω2 in a spatially modulated medium of graphite nanoparticles. The medium is assumed to contain spherical graphite nanoparticles of two different configurations: in the first configuration, the electric fields of the laser beams are parallel to the normal vector of the basal plane of the graphite structure, whereas in the second configuration, the electric fields are perpendicular to the normal vector of the basal plane. The interaction of the electric fields of lasers with the electronic clouds of the nanoparticles generates a ponderomotive force that in turn leads to the creation of a macroscopic electron current in the direction of laser polarizations and at the beat frequency ω1-ω2 , which can generate terahertz radiation. We show that, when the beat frequency lies near the effective plasmon frequency of the nanoparticles and the electric fields are parallel to the basal-plane normal, a resonant interaction of the laser beams causes intense terahertz radiation.

The Study of Spherical Cores with a Toroidal Magnetic Field Configuration

Energy Technology Data Exchange (ETDEWEB)

Gholipour, Mahmoud [Research Institute for Astronomy and Astrophysics of Maragha (RIAAM)—Maragha, P.O. Box 55134-441 (Iran, Islamic Republic of)

2017-04-01

Observational studies of the magnetic fields in molecular clouds have significantly improved the theoretical models developed for the structure and evolution of dense clouds and for the star formation process as well. The recent observational analyses on some cores indicate that there is a power-law relationship between magnetic field and density in the molecular clouds. In this study, we consider the stability of spherical cores with a toroidal magnetic field configuration in the molecular clouds. For this purpose, we model a spherical core that is in magnetostatic equilibrium. Herein, we propose an equation of density structure, which is a modified form of the isothermal Lane–Emden equation in the presence of the toroidal magnetic field. The proposed equation describes the effect of the toroidal magnetic field on the cloud structure and the mass cloud. Furthermore, we found an upper limit for this configuration of magnetic field in the molecular clouds. Then, the virial theorem is used to consider the cloud evolution leading to an equation in order to obtain the lower limit of the field strength in the molecular cloud. However, the results show that the field strength of the toroidal configuration has an important effect on the cloud structure, whose upper limit is related to the central density and field gradient. The obtained results address some regions of clouds where the cloud decomposition or star formation can be seen.

Software configuration management

International Nuclear Information System (INIS)

Arribas Peces, E.; Martin Faraldo, P.

1993-01-01

Software Configuration Management is directed towards identifying system configuration at specific points of its life cycle, so as to control changes to the configuration and to maintain the integrity and traceability of the configuration throughout its life. SCM functions and tasks are presented in the paper

Comparison between four dissimilar solar panel configurations

Science.gov (United States)

Suleiman, K.; Ali, U. A.; Yusuf, Ibrahim; Koko, A. D.; Bala, S. I.

2017-12-01

Several studies on photovoltaic systems focused on how it operates and energy required in operating it. Little attention is paid on its configurations, modeling of mean time to system failure, availability, cost benefit and comparisons of parallel and series-parallel designs. In this research work, four system configurations were studied. Configuration I consists of two sub-components arranged in parallel with 24 V each, configuration II consists of four sub-components arranged logically in parallel with 12 V each, configuration III consists of four sub-components arranged in series-parallel with 8 V each, and configuration IV has six sub-components with 6 V each arranged in series-parallel. Comparative analysis was made using Chapman Kolmogorov's method. The derivation for explicit expression of mean time to system failure, steady state availability and cost benefit analysis were performed, based on the comparison. Ranking method was used to determine the optimal configuration of the systems. The results of analytical and numerical solutions of system availability and mean time to system failure were determined and it was found that configuration I is the optimal configuration.

Vortex configuration in the presence of local magnetic field and locally applied stress

Energy Technology Data Exchange (ETDEWEB)

Wissberg, Shai; Kremen, Anna; Shperber, Yishai; Kalisky, Beena, E-mail: beena@biu.ac.il

2017-02-15

Highlights: • We discuss different ways to determine vortex configuration using a scanning SQUID. • We determined the vortex configuration by approaching the sample during cooling. • We observed an accumulation of vortices when contact was made with the sample. • We show how we can manipulate local vortex configuration using contact. - Abstract: Vortex configuration is determined by the repulsive interaction, which becomes dominant with increasing vortex density, by the pinning potential, and by other considerations such as the local magnetic fields, currents flowing in the sample, or as we showed recently, by local stress applied on the sample. In this work we describe different ways to control vortex configuration using scanning SQUID microscopy.

Vortex configuration in the presence of local magnetic field and locally applied stress

International Nuclear Information System (INIS)

Wissberg, Shai; Kremen, Anna; Shperber, Yishai; Kalisky, Beena

2017-01-01

Highlights: • We discuss different ways to determine vortex configuration using a scanning SQUID. • We determined the vortex configuration by approaching the sample during cooling. • We observed an accumulation of vortices when contact was made with the sample. • We show how we can manipulate local vortex configuration using contact. - Abstract: Vortex configuration is determined by the repulsive interaction, which becomes dominant with increasing vortex density, by the pinning potential, and by other considerations such as the local magnetic fields, currents flowing in the sample, or as we showed recently, by local stress applied on the sample. In this work we describe different ways to control vortex configuration using scanning SQUID microscopy.

Simultaneous EEG–fMRI: evaluating the effect of the cabling configuration on the gradient artefact

International Nuclear Information System (INIS)

Chowdhury, M E H; Mullinger, Karen J; Bowtell, Richard

2015-01-01

EEG recordings made in combined EEG–fMRI studies are corrupted by gradient artefacts (GAs) resulting from the interaction of the EEG system with the time-varying magnetic field gradients used in MRI. The dominant contribution to the GA arises from interaction with the leads of the EEG cap and the human head, but artefacts are also produced in the cables used to connect the EEG cap to the amplifier. The aim of this study is to measure the effects of the connecting cable configuration on the characteristics of the GA. We measured the GA produced on two different cable configurations (a ribbon cable and a cable consisting of wires that are twisted together to form a cylindrical bundle) by gradient pulses applied on three orthogonal axes and also characterized the effect of each cable configuration on the GA generated by a multi-slice echo planar imaging sequence, as employed in typical EEG–fMRI studies. The results demonstrate that the cabling that connects the EEG cap to the amplifier can make a significant contribution to the GA recorded during EEG–fMRI studies. In particular, we demonstrate that the GA generated by a ribbon cable is larger than that produced using a twisted cable arrangement and that changes in the GA resulting from variation in the cable position are also greater for the ribbon cable. (note)

Simultaneous EEG-fMRI: evaluating the effect of the cabling configuration on the gradient artefact

Science.gov (United States)

Chowdhury, M. E. H.; Mullinger, Karen J.; Bowtell, Richard

2015-06-01

EEG recordings made in combined EEG-fMRI studies are corrupted by gradient artefacts (GAs) resulting from the interaction of the EEG system with the time-varying magnetic field gradients used in MRI. The dominant contribution to the GA arises from interaction with the leads of the EEG cap and the human head, but artefacts are also produced in the cables used to connect the EEG cap to the amplifier. The aim of this study is to measure the effects of the connecting cable configuration on the characteristics of the GA. We measured the GA produced on two different cable configurations (a ribbon cable and a cable consisting of wires that are twisted together to form a cylindrical bundle) by gradient pulses applied on three orthogonal axes and also characterized the effect of each cable configuration on the GA generated by a multi-slice echo planar imaging sequence, as employed in typical EEG-fMRI studies. The results demonstrate that the cabling that connects the EEG cap to the amplifier can make a significant contribution to the GA recorded during EEG-fMRI studies. In particular, we demonstrate that the GA generated by a ribbon cable is larger than that produced using a twisted cable arrangement and that changes in the GA resulting from variation in the cable position are also greater for the ribbon cable.

Specificity of molecular interactions in transient protein-protein interaction interfaces.

Science.gov (United States)

Cho, Kyu-il; Lee, KiYoung; Lee, Kwang H; Kim, Dongsup; Lee, Doheon

2006-11-15

In this study, we investigate what types of interactions are specific to their biological function, and what types of interactions are persistent regardless of their functional category in transient protein-protein heterocomplexes. This is the first approach to analyze protein-protein interfaces systematically at the molecular interaction level in the context of protein functions. We perform systematic analysis at the molecular interaction level using classification and feature subset selection technique prevalent in the field of pattern recognition. To represent the physicochemical properties of protein-protein interfaces, we design 18 molecular interaction types using canonical and noncanonical interactions. Then, we construct input vector using the frequency of each interaction type in protein-protein interface. We analyze the 131 interfaces of transient protein-protein heterocomplexes in PDB: 33 protease-inhibitors, 52 antibody-antigens, 46 signaling proteins including 4 cyclin dependent kinase and 26 G-protein. Using kNN classification and feature subset selection technique, we show that there are specific interaction types based on their functional category, and such interaction types are conserved through the common binding mechanism, rather than through the sequence or structure conservation. The extracted interaction types are C(alpha)-- H...O==C interaction, cation...anion interaction, amine...amine interaction, and amine...cation interaction. With these four interaction types, we achieve the classification success rate up to 83.2% with leave-one-out cross-validation at k = 15. Of these four interaction types, C(alpha)--H...O==C shows binding specificity for protease-inhibitor complexes, while cation-anion interaction is predominant in signaling complexes. The amine ... amine and amine...cation interaction give a minor contribution to the classification accuracy. When combined with these two interactions, they increase the accuracy by 3.8%. In the case of

Parallel multireference configuration interaction calculations on mini-beta-carotenes and beta-carotene.

Science.gov (United States)

Kleinschmidt, Martin; Marian, Christel M; Waletzke, Mirko; Grimme, Stefan

2009-01-28

We present a parallelized version of a direct selecting multireference configuration interaction (MRCI) code [S. Grimme and M. Waletzke, J. Chem. Phys. 111, 5645 (1999)]. The program can be run either in ab initio mode or as semiempirical procedure combined with density functional theory (DFT/MRCI). We have investigated the efficiency of the parallelization in case studies on carotenoids and porphyrins. The performance is found to depend heavily on the cluster architecture. While the speed-up on the older Intel Netburst technology is close to linear for up to 12-16 processes, our results indicate that it is not favorable to use all cores of modern Intel Dual Core or Quad Core processors simultaneously for memory intensive tasks. Due to saturation of the memory bandwidth, we recommend to run less demanding tasks on the latter architectures in parallel to two (Dual Core) or four (Quad Core) MRCI processes per node. The DFT/MRCI branch has been employed to study the low-lying singlet and triplet states of mini-n-beta-carotenes (n=3, 5, 7, 9) and beta-carotene (n=11) at the geometries of the ground state, the first excited triplet state, and the optically bright singlet state. The order of states depends heavily on the conjugation length and the nuclear geometry. The (1)B(u) (+) state constitutes the S(1) state in the vertical absorption spectrum of mini-3-beta-carotene but switches order with the 2 (1)A(g) (-) state upon excited state relaxation. In the longer carotenes, near degeneracy or even root flipping between the (1)B(u) (+) and (1)B(u) (-) states is observed whereas the 3 (1)A(g) (-) state is found to remain energetically above the optically bright (1)B(u) (+) state at all nuclear geometries investigated here. The DFT/MRCI method is seen to underestimate the absolute excitation energies of the longer mini-beta-carotenes but the energy gaps between the excited states are reproduced well. In addition to singlet data, triplet-triplet absorption energies are

Parallel multireference configuration interaction calculations on mini-β-carotenes and β-carotene

Science.gov (United States)

Kleinschmidt, Martin; Marian, Christel M.; Waletzke, Mirko; Grimme, Stefan

2009-01-01

We present a parallelized version of a direct selecting multireference configuration interaction (MRCI) code [S. Grimme and M. Waletzke, J. Chem. Phys. 111, 5645 (1999)]. The program can be run either in ab initio mode or as semiempirical procedure combined with density functional theory (DFT/MRCI). We have investigated the efficiency of the parallelization in case studies on carotenoids and porphyrins. The performance is found to depend heavily on the cluster architecture. While the speed-up on the older Intel Netburst technology is close to linear for up to 12-16 processes, our results indicate that it is not favorable to use all cores of modern Intel Dual Core or Quad Core processors simultaneously for memory intensive tasks. Due to saturation of the memory bandwidth, we recommend to run less demanding tasks on the latter architectures in parallel to two (Dual Core) or four (Quad Core) MRCI processes per node. The DFT/MRCI branch has been employed to study the low-lying singlet and triplet states of mini-n-β-carotenes (n =3, 5, 7, 9) and β-carotene (n =11) at the geometries of the ground state, the first excited triplet state, and the optically bright singlet state. The order of states depends heavily on the conjugation length and the nuclear geometry. The B1u+ state constitutes the S1 state in the vertical absorption spectrum of mini-3-β-carotene but switches order with the 2 A1g- state upon excited state relaxation. In the longer carotenes, near degeneracy or even root flipping between the B1u+ and B1u- states is observed whereas the 3 A1g- state is found to remain energetically above the optically bright B1u+ state at all nuclear geometries investigated here. The DFT/MRCI method is seen to underestimate the absolute excitation energies of the longer mini-β-carotenes but the energy gaps between the excited states are reproduced well. In addition to singlet data, triplet-triplet absorption energies are presented. For β-carotene, where these transition

Shapes of nuclear configurations in a cranked harmonic oscillator model

International Nuclear Information System (INIS)

Troudet, T.; Arvieu, R.

1980-05-01

The shapes of nuclear configurations are calculated using Slater determinants built with cranked harmonic oscillator single particle states. The nuclear forces role is played by a volume conservation condition (of the potential or of the density) in a first part. In a second part, we have used the finite range, density dependent interaction of Cogny. A very simple classification of configurations emerges in the first part, the relevant parameter being the equatorial eccentricity of the nuclear density. A critical equatorial eccentricity is obtained which governs the accession to the case for which the nucleus is oblate and symmetric around its axis of rotation. Nuclear configurations calculated in the second part observe remarkably well these behaviors

Initial DEMO tokamak design configuration studies

Energy Technology Data Exchange (ETDEWEB)

Bachmann, Christian, E-mail: christian.bachmann@efda.org [EFDA, Boltzmannstraße 2, 85748 Garching (Germany); Aiello, G. [CEA-Saclay, DEN, DM2S, SEMT, F-91191 Gif-Sur-Yvette (France); Albanese, R.; Ambrosino, R. [ENEA/CREATE, Universita di Napoli Federico II, Naples (Italy); Arbeiter, F. [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany); Aubert, J. [CEA-Saclay, DEN, DM2S, SEMT, F-91191 Gif-Sur-Yvette (France); Boccaccini, L.; Carloni, D. [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany); Federici, G. [EFDA, Boltzmannstraße 2, 85748 Garching (Germany); Fischer, U. [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany); Kovari, M. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); Li Puma, A. [CEA-Saclay, DEN, DM2S, SEMT, F-91191 Gif-Sur-Yvette (France); Loving, A. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); Maione, I. [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany); Mattei, M. [ENEA/CREATE, Universita di Napoli Federico II, Naples (Italy); Mazzone, G. [ENEA C.R. Frascati, via E. Fermi 45, 00044 Frascati, Roma (Italy); Meszaros, B. [EFDA, Boltzmannstraße 2, 85748 Garching (Germany); Palermo, I. [Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas (CIEMAT), Madrid (Spain); Pereslavtsev, P. [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany); Riccardo, V. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); and others

2015-10-15

Highlights: • A definition of main DEMO requirements. • A description of the DEMO tokamak design configuration. • A description of issues yet to be solved. - Abstract: To prepare the DEMO conceptual design phase a number of physics and engineering assessments were carried out in recent years in the frame of EFDA concluding in an initial design configuration of a DEMO tokamak. This paper gives an insight into the identified engineering requirements and constraints and describes their impact on the selection of the technologies and design principles of the main tokamak components. The EU DEMO program aims at making best use of the technologies developed for ITER (e.g., magnets, vessel, cryostat, and to some degree also the divertor). However, other systems in particular the breeding blanket require design solutions and advanced technologies that will only partially be tested in ITER. The main differences from ITER include the requirement to breed, to extract, to process and to recycle the tritium needed for plasma operation, the two orders of magnitude larger lifetime neutron fluence, the consequent radiation dose levels, which limit remote maintenance options, and the requirement to use low-activation steel for in-vessel components that also must operate at high temperature for efficient energy conversion.

Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths

International Nuclear Information System (INIS)

Savukov, I. M.; Filin, D. V.

2014-01-01

Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. As a result, the demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions

Isobar configurations in nuclei and short range correlations

CERN Document Server

Weber, H J

1979-01-01

Recent results on short range correlations and isobar configurations are reviewed, and in particular a unitary version of the isobar model, coupling constants and rho -meson transition potentials, a comparison with experiments, the CERN N*-knockout from /sup 4/He, QCD and the NN interaction of short range. (42 refs).

An atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations

Science.gov (United States)

Bernal, M. A.; Sikansi, D.; Cavalcante, F.; Incerti, S.; Champion, C.; Ivanchenko, V.; Francis, Z.

2013-12-01

In this paper, an atomistic geometrical model for the B-DNA configuration is explained. This model accounts for five organization levels of the DNA, up to the 30 nm chromatin fiber. However, fragments of this fiber can be used to construct the whole genome. The algorithm developed in this work is capable to determine which is the closest atom with respect to an arbitrary point in space. It can be used in any application in which a DNA geometrical model is needed, for instance, in investigations related to the effects of ionizing radiations on the human genetic material. Successful consistency checks were carried out to test the proposed model. Catalogue identifier: AEPZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEPZ_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1245 No. of bytes in distributed program, including test data, etc.: 6574 Distribution format: tar.gz Programming language: FORTRAN. Computer: Any. Operating system: Multi-platform. RAM: 2 Gb Classification: 3. Nature of problem: The Monte Carlo method is used to simulate the interaction of ionizing radiation with the human genetic material in order to determine DNA damage yields per unit absorbed dose. To accomplish this task, an algorithm to determine if a given energy deposition lies within a given target is needed. This target can be an atom or any other structure of the genetic material. Solution method: This is a stand-alone subroutine describing an atomic-resolution geometrical model of the B-DNA configuration. It is able to determine the closest atom to an arbitrary point in space. This model accounts for five organization levels of the human genetic material, from the nucleotide pair up to the 30 nm chromatin fiber. This subroutine carries out a series of coordinate transformations

Software control and system configuration management - A process that works

Science.gov (United States)

Petersen, K. L.; Flores, C., Jr.

1983-01-01

A comprehensive software control and system configuration management process for flight-crucial digital control systems of advanced aircraft has been developed and refined to insure efficient flight system development and safe flight operations. Because of the highly complex interactions among the hardware, software, and system elements of state-of-the-art digital flight control system designs, a systems-wide approach to configuration control and management has been used. Specific procedures are implemented to govern discrepancy reporting and reconciliation, software and hardware change control, systems verification and validation testing, and formal documentation requirements. An active and knowledgeable configuration control board reviews and approves all flight system configuration modifications and revalidation tests. This flexible process has proved effective during the development and flight testing of several research aircraft and remotely piloted research vehicles with digital flight control systems that ranged from relatively simple to highly complex, integrated mechanizations.

Software control and system configuration management: A systems-wide approach

Science.gov (United States)

Petersen, K. L.; Flores, C., Jr.

1984-01-01

A comprehensive software control and system configuration management process for flight-crucial digital control systems of advanced aircraft has been developed and refined to insure efficient flight system development and safe flight operations. Because of the highly complex interactions among the hardware, software, and system elements of state-of-the-art digital flight control system designs, a systems-wide approach to configuration control and management has been used. Specific procedures are implemented to govern discrepancy reporting and reconciliation, software and hardware change control, systems verification and validation testing, and formal documentation requirements. An active and knowledgeable configuration control board reviews and approves all flight system configuration modifications and revalidation tests. This flexible process has proved effective during the development and flight testing of several research aircraft and remotely piloted research vehicles with digital flight control systems that ranged from relatively simple to highly complex, integrated mechanizations.

Dissecting the role of distinct OCT4-SOX2 heterodimer configurations in pluripotency

Science.gov (United States)

Tapia, Natalia; MacCarthy, Caitlin; Esch, Daniel; Gabriele Marthaler, Adele; Tiemann, Ulf; Araúzo-Bravo, Marcos J.; Jauch, Ralf; Cojocaru, Vlad; Schöler, Hans R.

2015-01-01

The transcription factors OCT4 and SOX2 are required for generating induced pluripotent stem cells (iPSCs) and for maintaining embryonic stem cells (ESCs). OCT4 and SOX2 associate and bind to DNA in different configurations depending on the arrangement of their individual DNA binding elements. Here we have investigated the role of the different OCT4-SOX2-DNA assemblies in regulating and inducing pluripotency. To this end, we have generated SOX2 mutants that interfere with specific OCT4-SOX2 heterodimer configurations and assessed their ability to generate iPSCs and to rescue ESC self-renewal. Our results demonstrate that the OCT4-SOX2 configuration that dimerizes on a Hoxb1-like composite, a canonical element with juxtaposed individual binding sites, plays a more critical role in the induction and maintenance of pluripotency than any other OCT4-SOX2 configuration. Overall, the results of this study provide new insight into the protein interactions required to establish a de novo pluripotent network and to maintain a true pluripotent cell fate. PMID:26314899

Molecular dynamics study of interstitial-solute interactions in irradiated alloys

International Nuclear Information System (INIS)

Lam, N.Q.; Doan, N.V.; Adda, Y.

1980-01-01

The molecular dynamics technique has been used, in conjunction with the interionic potentials of Dagens et al, to study the stability, configuration, binding, and induced migration of mixed dumbbells in an irradiated Al-Zn alloy. For the purpose of comparisons, self-interstitials in pure Al were also investigated. The Al-Al and Al-Zn interactions were described by pair potentials which extended to ninth-neighbour distances. Both the self-interstitial dumbbell and the mixed dumbbell were found to be stable in the configuration. The formation energy of the self-interstitial is 2.89 eV and the mixed-dumbbell binding energy is 0.38 eV. As a result of this strong binding, the threshold energy required to induce the migration of the mixed dumbbell is about 1.2 eV, which is significantly larger than the minimum energy of about 0.15 eV transferred to a self-interstitial to induce its jumps in pure Al. Caging motions of the mixed dumbbell were observed. The present computer-simulation results are compared with experimental measurements. (author)

Free electrons and ionic liquids: study of excited states by means of electron-energy loss spectroscopy and the density functional theory multireference configuration interaction method.

Science.gov (United States)

Regeta, Khrystyna; Bannwarth, Christoph; Grimme, Stefan; Allan, Michael

2015-06-28

The technique of low energy (0-30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0-2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes. EEL spectra recorded by collecting 10 eV electrons show predominantly discrete vibrational and electronic bands. The vibrational energy-loss spectra correspond well to IR spectra except for a broadening (∼0.04 eV) caused by the liquid surroundings, and enhanced overtone activity indicating a contribution from resonant excitation mechanism. The spectra of four representative ILs were recorded in the energy range of electronic excitations and compared to density functional theory multireference configuration interaction (DFT/MRCI) calculations, with good agreement. The spectra up to about 8 eV are dominated by π-π* transitions of the aromatic cations. The lowest bands were identified as triplet states. The spectral region 2-8 eV was empty in the case of a cation without π orbitals. The EEL spectrum of a saturated solution of methylene green in an IL band showed the methylene green EEL band at 2 eV, indicating that ILs may be used as a host to study nonvolatile compounds by this technique in the future.

Geometry of coexistence in the interacting boson model

International Nuclear Information System (INIS)

Van Isacker, P.; Frank, A.; Vargas, C.E.

2004-01-01

The Interacting Boson Model (IBM) with configuration mixing is applied to describe the phenomenon of coexistence in nuclei. The analysis suggests that the IBM with configuration mixing, used in conjunction with a (matrix) coherent-state method, may be a reliable tool for the study of geometric aspects of shape coexistence in nuclei

MAP, MAC, and vortex-rings configurations in the Weinberg-Salam model

Science.gov (United States)

Teh, Rosy; Ng, Ban-Loong; Wong, Khai-Ming

2015-11-01

We report on the presence of new axially symmetric monopoles, antimonopoles and vortex-rings solutions of the SU(2)×U(1) Weinberg-Salam model of electromagnetic and weak interactions. When the ϕ-winding number n = 1, and 2, the configurations are monopole-antimonopole pair (MAP) and monopole-antimonopole chain (MAC) with poles of alternating sign magnetic charge arranged along the z-axis. Vortex-rings start to appear from the MAP and MAC configurations when the winding number n = 3. The MAP configurations possess zero net magnetic charge whereas the MAC configurations possess net magnetic charge of 4 πn / e. In the MAP configurations, the monopole-antimonopole pair is bounded by the Z0 field flux string and there is an electromagnetic current loop encircling it. The monopole and antimonopole possess magnetic charges ± 4πn/e sin2θW respectively. In the MAC configurations there is no string connecting the monopole and the adjacent antimonopole and they possess magnetic charges ± 4 πn/e respectively. The MAC configurations possess infinite total energy and zero magnetic dipole moment whereas the MAP configurations which are actually sphalerons possess finite total energy and magnetic dipole moment. The configurations were investigated for varying values of Higgs self-coupling constant 0 ≤ λ ≤ 40 at Weinberg angle θW = π/4.

CONFIGURATION GENERATOR MODEL

International Nuclear Information System (INIS)

Alsaed, A.

2004-01-01

''The Disposal Criticality Analysis Methodology Topical Report'' prescribes an approach to the methodology for performing postclosure criticality analyses within the monitored geologic repository at Yucca Mountain, Nevada. An essential component of the methodology is the ''Configuration Generator Model for In-Package Criticality'' that provides a tool to evaluate the probabilities of degraded configurations achieving a critical state. The configuration generator model is a risk-informed, performance-based process for evaluating the criticality potential of degraded configurations in the monitored geologic repository. The method uses event tree methods to define configuration classes derived from criticality scenarios and to identify configuration class characteristics (parameters, ranges, etc.). The probabilities of achieving the various configuration classes are derived in part from probability density functions for degradation parameters. The NRC has issued ''Safety Evaluation Report for Disposal Criticality Analysis Methodology Topical Report, Revision 0''. That report contained 28 open items that required resolution through additional documentation. Of the 28 open items, numbers 5, 6, 9, 10, 18, and 19 were concerned with a previously proposed software approach to the configuration generator methodology and, in particular, the k eff regression analysis associated with the methodology. However, the use of a k eff regression analysis is not part of the current configuration generator methodology and, thus, the referenced open items are no longer considered applicable and will not be further addressed

Numerical Investigations on the Aerodynamic Performance of Wind Turbine：Downwind Versus Upwind Configuration

Institute of Scientific and Technical Information of China (English)

Hu Zhou; Decheng Wan

2015-01-01

Although the upwind configuration is more popular in the field of wind energy, the downwind one is a promising type for the offshore wind energy due to its special advantages. Different configurations have different aerodynamic performance and it is important to predict the performance of both downwind and upwind configurations accurately for designing and developing more reliable wind turbines. In this paper, a numerical investigation on the aerodynamic performance of National Renewable Energy Laboratory (NREL) phase VI wind turbine in downwind and upwind configurations is presented. The open source toolbox OpenFOAM coupled with arbitrary mesh interface (AMI) method is applied to tackle rotating problems of wind turbines. Two 3D numerical models of NREL phase VI wind turbine with downwind and upwind configurations under four typical working conditions of incoming wind velocities are set up for the study of different unsteady characteristics of the downwind and upwind configurations, respectively. Numerical results of wake vortex structure, time histories of thrust, pressure distribution on the blade and limiting streamlines which can be used to identify points of separation in a 3D flow are presented. It can be concluded that thrust reduction due to blade-tower interaction is small for upwind wind turbines but relatively large for downwind wind turbines and attention should be paid to the vibration at a certain frequency induced by the cyclic reduction for both configurations. The results and conclusions are helpful to analyze the different aerodynamic performance of wind turbines between downwind and upwind configurations, providing useful references for practical design of wind turbine.

Overview of homogeneous versus heterogeneous core configuration trade-off studies

International Nuclear Information System (INIS)

Chang, Y.I.

1982-01-01

The most significant development in core design trend in the U.S. LMFBR program has been the increased attention given to the heterogeneous core design concept. In recent years, numerous core configuration trade-off studies have been carried out to quantify advantages and disadvantages of the heterogeneous concept relative to the homogeneous concept, and a consensus is emerging among the U.S. core designers. It appears that the technical and economic performance differences between homogeneous and heterogeneous core designs are very small; however, the heterogeneous concept provides a definite safety/licensing advantage. he technical and economic performance comparison between homogeneous and heterogeneous core configurations is difficult to quantify. In fact, in most cases, the perceived advantages and/or disadvantages are dictated by the consistency in the comparison (optimized for one concept versus non-optimized for the other, etc.) rather than by any inherent differences. Some of the technical and economic issues relevant to the homogeneous versus heterogeneous comparison are summarized

Overview of homogeneous versus heterogeneous core configuration trade-off studies

Energy Technology Data Exchange (ETDEWEB)

Chang, Y I [Applied Physics Division, Argonne National Laboratory, Argonne, IL (United States)

1982-01-01

The most significant development in core design trend in the U.S. LMFBR program has been the increased attention given to the heterogeneous core design concept. In recent years, numerous core configuration trade-off studies have been carried out to quantify advantages and disadvantages of the heterogeneous concept relative to the homogeneous concept, and a consensus is emerging among the U.S. core designers. It appears that the technical and economic performance differences between homogeneous and heterogeneous core designs are very small; however, the heterogeneous concept provides a definite safety/licensing advantage. he technical and economic performance comparison between homogeneous and heterogeneous core configurations is difficult to quantify. In fact, in most cases, the perceived advantages and/or disadvantages are dictated by the consistency in the comparison (optimized for one concept versus non-optimized for the other, etc.) rather than by any inherent differences. Some of the technical and economic issues relevant to the homogeneous versus heterogeneous comparison are summarized.

New developments in multireference and complete configuration interaction calculations

International Nuclear Information System (INIS)

Knowles, P.J.; Werner, H.J.

1987-01-01

Some recently developed techniques for the calculation of Hamiltonian matrix elements in molecular electronic structure calculations are described. These techniques allow the very rapid calculation, in any desired order, of one particle coupling coefficients between spin symmetry adapted basis functions of arbitrary structure. The matrix elements that are required, for either internally contracted multireference CI calculations, or full CI calculations, are then obtainable from suitable summations over resolutions of the identity, which has been shown previously to be rather efficient; this is especially true on vector computers, since all arithmetic can be formulated as matrix multiplications. These ideas have culminated in the preparation of a new multireference CI program which is capable of handling very large numbers of reference configurations. Application of the new techniques to full CI calculations are also presented

Wavefunction and energy of the 1s22sns configuration in a beryllium atom

International Nuclear Information System (INIS)

Huang Shizhong; Ma Kun; Yu Jiaming; Liu Fen

2008-01-01

A new set of trial functions for 1s 2 2sns configurations in a beryllium atom is suggested. A Mathematica program based on the variational method is developed to calculate the wavefunctions and energies of 1s 2 2sns (n = 3–6) configurations in a beryllium atom. Non-relativistic energy, polarization correction and relativistic correction which include mass correction, one-and two-body Darwin corrections, spin-spin contact interaction and orbit-orbit interaction, are calculated respectively. The results are in good agreement with experimental data. (atomic and molecular physics)

Study of evaluation techniques of software configuration management and reliability

Energy Technology Data Exchange (ETDEWEB)

Youn, Cheong; Baek, Y. W.; Kim, H. C.; Han, H. C.; Choi, C. R. [Chungnam National Univ., Taejon (Korea, Republic of)

2001-03-15

The Study of activities to solve software safety and quality must be executed in base of establishing software development process for digitalized nuclear plant. Especially study of software testing and Verification and Validation must executed. For this purpose methodologies and tools which can improve software qualities are evaluated and software Testing, V and V and Configuration Management which can be applied to software life cycle are investigated. This study establish a guideline that can be used to assure software safety and reliability requirements in digitalized nuclear plant systems.

Onset of pseudo-thermal equilibrium within configurations and super-configurations

International Nuclear Information System (INIS)

Busquet, Michel

2006-01-01

Level populations within a configuration and configuration populations within super-configuration or within one ion are shown to follow a Boltzmann law at some effective temperature different from the actual electron temperature (as it would be when Griem criterion is valid). Origin of this pseudo-thermal equilibrium is discussed and basis of a model are presented

Onset of pseudo-thermal equilibrium within configurations and super-configurations

Energy Technology Data Exchange (ETDEWEB)

Busquet, Michel [ARTEP Inc., 2922 Excelsior Springs Court, Elicott City, MD 21042 (United States)]. E-mail: busquet@this.nrl.navy.mil

2006-05-15

Level populations within a configuration and configuration populations within super-configuration or within one ion are shown to follow a Boltzmann law at some effective temperature different from the actual electron temperature (as it would be when Griem criterion is valid). Origin of this pseudo-thermal equilibrium is discussed and basis of a model are presented.

Stable configurations in social networks

Science.gov (United States)

Bronski, Jared C.; DeVille, Lee; Ferguson, Timothy; Livesay, Michael

2018-06-01

We present and analyze a model of opinion formation on an arbitrary network whose dynamics comes from a global energy function. We study the global and local minimizers of this energy, which we call stable opinion configurations, and describe the global minimizers under certain assumptions on the friendship graph. We show a surprising result that the number of stable configurations is not necessarily monotone in the strength of connection in the social network, i.e. the model sometimes supports more stable configurations when the interpersonal connections are made stronger.

Evolving shape coexistence in the lead isotopes: The geometry of configuration mixing in nuclei

International Nuclear Information System (INIS)

Frank, Alejandro; Isacker, Piet van; Vargas, Carlos E.

2004-01-01

A matrix coherent-state approach is applied to the interacting boson model (IBM) with configuration mixing to describe the evolving geometry of neutron-deficient Pb isotopes. It is found that for small mixing with parameters determined previously, the potential energy surface of 186 Pb has three minima, which correspond to spherical, oblate, and prolate shapes, in agreement with recent measurements and mean-field calculations. Away from midshell, in the heavier Pb isotopes, no deformed minima occur. Our analysis suggests that the configuration-mixing IBM, used in conjunction with a matrix coherent-state method, may be a reliable tool for the study of geometric aspects of shape coexistence in nuclei

Operational Dynamic Configuration Analysis

Science.gov (United States)

Lai, Chok Fung; Zelinski, Shannon

2010-01-01

Sectors may combine or split within areas of specialization in response to changing traffic patterns. This method of managing capacity and controller workload could be made more flexible by dynamically modifying sector boundaries. Much work has been done on methods for dynamically creating new sector boundaries [1-5]. Many assessments of dynamic configuration methods assume the current day baseline configuration remains fixed [6-7]. A challenging question is how to select a dynamic configuration baseline to assess potential benefits of proposed dynamic configuration concepts. Bloem used operational sector reconfigurations as a baseline [8]. The main difficulty is that operational reconfiguration data is noisy. Reconfigurations often occur frequently to accommodate staff training or breaks, or to complete a more complicated reconfiguration through a rapid sequence of simpler reconfigurations. Gupta quantified a few aspects of airspace boundary changes from this data [9]. Most of these metrics are unique to sector combining operations and not applicable to more flexible dynamic configuration concepts. To better understand what sort of reconfigurations are acceptable or beneficial, more configuration change metrics should be developed and their distribution in current practice should be computed. This paper proposes a method to select a simple sequence of configurations among operational configurations to serve as a dynamic configuration baseline for future dynamic configuration concept assessments. New configuration change metrics are applied to the operational data to establish current day thresholds for these metrics. These thresholds are then corroborated, refined, or dismissed based on airspace practitioner feedback. The dynamic configuration baseline selection method uses a k-means clustering algorithm to select the sequence of configurations and trigger times from a given day of operational sector combination data. The clustering algorithm selects a simplified

Ansible configuration management

CERN Document Server

Hall, Daniel

2013-01-01

Ansible Configuration Management"" is a step-by-step tutorial that teaches the use of Ansible for configuring Linux machines.This book is intended for anyone looking to understand the basics of Ansible. It is expected that you will have some experience of how to set up and configure Linux machines. In parts of the book we cover configuration files of BIND, MySQL, and other Linux daemons, therefore a working knowledge of these would be helpful but are certainly not required.

Quantum communication in spin star configuration

International Nuclear Information System (INIS)

Deng Hongliang; Fang Ximing

2008-01-01

This paper considers a generalized spin star system which can be solved exactly, with the central spin-½ system embedded in an outer ring of N spin-½ particles(denoted as spin bath). In this model, in addition to the central-outer interaction, each pair of nearest neighbour of the bath interacts within themselves. The general expressions of the eigenstates as well as the eigenvalues of the model are derived with the use of the symmetries of system. It analyses the quantum state transfer and the dynamical behaviour of entanglement created during quantum communication. It also analyses the efficiency of the configuration regarded as quantum phase covariant clone or decoherence model. Some interesting results are discovered concerning the properties of quantum communication in this model

The Broader Spectrum of Magnetic Configurations for Fusion

Energy Technology Data Exchange (ETDEWEB)

Prager, S C [Princeton Plasma Physics Laboratory, Princeton, NJ (United States); Ryutov, D D [Lawrence Livermore National Laboratory, Livermore, CA (United States)

2012-09-15

Over the decades, a large array of magnetic configurations has been studied, producing a huge amount of fusion plasma science. As configurations are developed, information and techniques learned through one configuration influence the development of other configurations. In this way, configurations evolve unexpectedly in response to new information. Configurations that were at a pause can become unstuck by new discoveries, and configurations that appeared promising for fusion energy can become unattractive as new limits are uncovered. The plasma science of fusion energy is sufficiently complex that, as we approach ever closer to practical fusion power, the need for potential contributions of broad research of multiple magnetic configurations remains strong. (author)

Risk-based configuration control

International Nuclear Information System (INIS)

Szikszai, T.

1997-01-01

The presentation discusses the following issues: The Configuration Control; The Risk-based Configuration Control (during power operation mode, and during shutdown mode). PSA requirements. Use of Risk-based Configuration Control System. Configuration Management (basic elements, benefits, information requirements)

Light-matter interaction in the strong coupling regime: configurations, conditions, and applications.

Science.gov (United States)

Dovzhenko, D S; Ryabchuk, S V; Rakovich, Yu P; Nabiev, I R

2018-02-22

Resonance interaction between a molecular transition and a confined electromagnetic field can reach the coupling regime where coherent exchange of energy between light and matter becomes reversible. In this case, two new hybrid states separated in energy are formed instead of independent eigenstates, which is known as Rabi splitting. This modification of the energy spectra of the system offers new possibilities for controlled impact on various fundamental properties of coupled matter (such as the rate of chemical reactions and the conductivity of organic semiconductors). To date, the strong coupling regime has been demonstrated in many configurations under different ambient conditions. However, there is still no comprehensive approach to determining parameters for achieving the strong coupling regime for a wide range of practical applications. In this review, a detailed analysis of various systems and corresponding conditions for reaching strong coupling is carried out and their advantages and disadvantages, as well as the prospects for application, are considered. The review also summarizes recent experiments in which the strong coupling regime has led to new interesting results, such as the possibility of collective strong coupling between X-rays and matter excitation in a periodic array of Fe isotopes, which extends the applications of quantum optics; a strong amplification of the Raman scattering signal from a coupled system, which can be used in surface-enhanced and tip-enhanced Raman spectroscopy; and more efficient second-harmonic generation from the low polaritonic state, which is promising for nonlinear optics. The results reviewed demonstrate great potential for further practical applications of strong coupling in the fields of photonics (low-threshold lasers), quantum communications (switches), and biophysics (molecular fingerprinting).

Pair creation by dynamic field configurations

International Nuclear Information System (INIS)

Aoyama, H.

1982-01-01

This thesis deals with the dynamics of the classical configuration of a quantum field unstable due to pair creation. The effective action method is developed first to treat such problems for a simple two-field model. Physical quantities such as pair creation probabilities are related to a complex function called the effective configuration, which is defined to minimize the effective action. Unitarity of the S-matrix is verified at the lowest order of the weak-field approximation. At the same order, the real valued vacuum expectation value of the quantum field, named the real configuration, is constructed in terms of the effective configuration. An integro-differential equation for the real configuration is given and is used to show that the real configuration is causal, while the effective configuration is not. Two practical applications of the effective action method are discussed. The first deals with pair creation in an anisotropic universe, and the real geometry is given in terms of the effective geometry in the samll anisotropy limit. The second deals with expanding vacuum bubbles. Corresponding to three possible situations, three kinds of field equations of each of the effective configuration and the real configuration are obtained. The behavior of the bubble is also studied by a semi-classical method, and one of the three situations is suggested to be plausible

BPHZ renormalization in configuration space for the A4-model

Science.gov (United States)

Pottel, Steffen

2018-02-01

Recent developments for BPHZ renormalization performed in configuration space are reviewed and applied to the model of a scalar quantum field with quartic self-interaction. An extension of the results regarding the short-distance expansion and the Zimmermann identity is shown for a normal product, which is quadratic in the field operator. The realization of the equation of motion is computed for the interacting field and the relation to parametric differential equations is indicated.

Configurations and level structure of 219Rn

International Nuclear Information System (INIS)

Sheline, R.K.; Liang, C.F.; Paris, P.

1998-01-01

The level structure of 219 Rn has been studied using the alpha decay of 223 Ra and coincident gamma rays. While only modest changes are required in the level structure, and only above 342.8 keV, severe changes are required throughout the level scheme in the spin assigments. These changes allow the assignment of two sets of anomalous bands with K=5/2 ± and K=3/2 ± . The K=5/2 ± bands have configurations intermediate between the reflection asymmetric configuration and the g 9/2 shell model configuration, while the K=3/2 ± bands have configurations intermediate between the mixed reflection asymmetric configuration and the i 11/2 shell model configuration. Comparison of the systematics of 219 Rn with neighboring isotones, isobars, and isotopes shows clearly the collapse of the quadrupole-octupole-type configurations into the less degenerate shell model configurations. copyright 1998 The American Physical Society

Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format.

Science.gov (United States)

Böhm, Karl-Heinz; Auer, Alexander A; Espig, Mike

2016-06-28

In this proof-of-principle study, we apply tensor decomposition techniques to the Full Configuration Interaction (FCI) wavefunction in order to approximate the wavefunction parameters efficiently and to reduce the overall computational effort. For this purpose, the wavefunction ansatz is formulated in an occupation number vector representation that ensures antisymmetry. If the canonical product format tensor decomposition is then applied, the Hamiltonian and the wavefunction can be cast into a multilinear product form. As a consequence, the number of wavefunction parameters does not scale to the power of the number of particles (or orbitals) but depends on the rank of the approximation and linearly on the number of particles. The degree of approximation can be controlled by a single threshold for the rank reduction procedure required in the algorithm. We demonstrate that using this approximation, the FCI Hamiltonian matrix can be stored with N(5) scaling. The error of the approximation that is introduced is below Millihartree for a threshold of ϵ = 10(-4) and no convergence problems are observed solving the FCI equations iteratively in the new format. While promising conceptually, all effort of the algorithm is shifted to the required rank reduction procedure after the contraction of the Hamiltonian with the coefficient tensor. At the current state, this crucial step is the bottleneck of our approach and even for an optimistic estimate, the algorithm scales beyond N(10) and future work has to be directed towards reduction-free algorithms.

Supply chain configuration concepts, solutions, and applications

CERN Document Server

Chandra, Charu

2016-01-01

This book discusses the models and tools available for solving configuration problems, emphasizes the value of model integration to obtain comprehensive and robust configuration decisions, proposes solutions for supply chain configuration in the presence of stochastic and dynamic factors, and illustrates application of the techniques discussed in applied studies. It is divided into four parts, which are devoted to defining the supply chain configuration problem and identifying key issues, describing solutions to various problems identified, proposing technologies for enabling supply chain confirmations, and discussing applied supply chain configuration problems. Its distinguishing features are: an explicit focus on the configuration problem an in-depth coverage of configuration models an emphasis on model integration and application of information modeling techniques in decision-making New to this edition is Part II: Technologies, which introduces readers to various technologies being utilized for supply chai...

Experimental Study of Fillets to Reduce Corner Effects in an Oblique Shock-Wave/Boundary Layer Interaction

Science.gov (United States)

Hirt, Stefanie M.

2015-01-01

A test was conducted in the 15 cm x 15 cm supersonic wind tunnel at NASA Glenn Research Center that focused on corner effects of an oblique shock-wave/boundary-layer interaction. In an attempt to control the interaction in the corner region, eight corner fillet configurations were tested. Three parameters were considered for the fillet configurations: the radius, the fillet length, and the taper length from the square corner to the fillet radius. Fillets effectively reduced the boundary-layer thickness in the corner; however, there was an associated penalty in the form of increased boundary-layer thickness at the tunnel centerline. Larger fillet radii caused greater reductions in boundary-layer thickness along the corner bisector. To a lesser, but measureable, extent, shorter fillet lengths resulted in thinner corner boundary layers. Overall, of the configurations tested, the largest radius resulted in the best combination of control in the corner, evidenced by a reduction in boundary-layer thickness, coupled with minimal impacts at the tunnel centerline.

Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W

Energy Technology Data Exchange (ETDEWEB)

Setyawan, Wahyu, E-mail: wahyu.setyawan@pnnl.gov; Nandipati, Giridhar; Kurtz, Richard J.

2017-02-15

The stability of tungsten self-interstitial atom (SIA) clusters is studied using first-principles methods. Clusters from one to seven SIAs are systematically explored from 1264 unique configurations. Finite-size effect of the simulation cell is corrected based on the scaling of formation energy versus inverse volume cell. Furthermore, the accuracy of the calculations is improved by treating the 5p semicore states as valence states. Configurations of the three most stable clusters in each cluster size n are presented, which consist of parallel [111] dumbbells. The evolution of these clusters leading to small dislocation loops is discussed. The binding energy of size-n clusters is analyzed relative to an n → (n-1) + 1 dissociation and is shown to increase with size. Extrapolation for n > 7 is presented using a dislocation loop model. In addition, the interaction of these clusters with a substitutional Re, Os, or Ta solute is explored by replacing one of the dumbbells with the solute. Re and Os strongly attract these clusters, but Ta strongly repels. The strongest interaction is found when the solute is located on the periphery of the cluster rather than in the middle. The magnitude of this interaction decreases with cluster size. Empirical fits to describe the trend of the solute binding energy are presented. - Highlights: • Systematic DFT exploration of tungsten SIA clusters from 1264 configurations. • Detailed structures of several most stable clusters are presented. • Novel finding of the trend of solute binding of Re, Os, and Ta with SIA clusters. • Empirical models that describe the trends of the solute binding energies.

Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W

International Nuclear Information System (INIS)

Setyawan, Wahyu; Nandipati, Giridhar; Kurtz, Richard J.

2017-01-01

The stability of tungsten self-interstitial atom (SIA) clusters is studied using first-principles methods. Clusters from one to seven SIAs are systematically explored from 1264 unique configurations. Finite-size effect of the simulation cell is corrected based on the scaling of formation energy versus inverse volume cell. Furthermore, the accuracy of the calculations is improved by treating the 5p semicore states as valence states. Configurations of the three most stable clusters in each cluster size n are presented, which consist of parallel [111] dumbbells. The evolution of these clusters leading to small dislocation loops is discussed. The binding energy of size-n clusters is analyzed relative to an n → (n-1) + 1 dissociation and is shown to increase with size. Extrapolation for n > 7 is presented using a dislocation loop model. In addition, the interaction of these clusters with a substitutional Re, Os, or Ta solute is explored by replacing one of the dumbbells with the solute. Re and Os strongly attract these clusters, but Ta strongly repels. The strongest interaction is found when the solute is located on the periphery of the cluster rather than in the middle. The magnitude of this interaction decreases with cluster size. Empirical fits to describe the trend of the solute binding energy are presented. - Highlights: • Systematic DFT exploration of tungsten SIA clusters from 1264 configurations. • Detailed structures of several most stable clusters are presented. • Novel finding of the trend of solute binding of Re, Os, and Ta with SIA clusters. • Empirical models that describe the trends of the solute binding energies.

Configurational entropy of glueball states

Energy Technology Data Exchange (ETDEWEB)

Bernardini, Alex E., E-mail: alexeb@ufscar.br [Departamento de Física, Universidade Federal de São Carlos, PO Box 676, 13565-905, São Carlos, SP (Brazil); Braga, Nelson R.F., E-mail: braga@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, RJ 21941-972 (Brazil); Rocha, Roldão da, E-mail: roldao.rocha@ufabc.edu.br [CMCC, Universidade Federal do ABC, UFABC, 09210-580, Santo André (Brazil)

2017-02-10

The configurational entropy of glueball states is calculated using a holographic description. Glueball states are represented by a supergravity dual picture, consisting of a 5-dimensional graviton–dilaton action of a dynamical holographic AdS/QCD model. The configurational entropy is studied as a function of the glueball spin and of the mass, providing information about the stability of the glueball states.

Numerical Study of Traffic Pollutant Dispersion within Different Street Canyon Configurations

OpenAIRE

Yucong Miao; Shuhua Liu; Yijia Zheng; Shu Wang; Yuan Li

2014-01-01

The objective of this study is to numerically study flow and traffic exhaust dispersion in urban street canyons with different configurations to find out the urban-planning strategies to ease the air pollution. The Computational Fluid Dynamics (CFD) model used in this study—Open Source Field Operation and Manipulation (OpenFOAM) software package—was firstly validated against the wind-tunnel experiment data by using three different k-ε turbulence models. And then the patterns of flow and dispe...

CFD study of liquid-cooled heat sinks with microchannel flow field configurations for electronics, fuel cells, and concentrated solar cells

International Nuclear Information System (INIS)

Ramos-Alvarado, Bladimir; Li Peiwen; Liu Hong; Hernandez-Guerrero, Abel

2011-01-01

A study of the heat transfer performance of liquid-cooled heat sinks with conventional and novel micro-channel flow field configurations for application in electronic devices, fuel cells, and concentrated solar cells is presented in this paper. The analyses were based on computations using the CFD software ANSYS FLUENT. The flow regime in heat sinks is constrained to laminar flow in the study. Details of the heat transfer performance, particularly, the uniformity of temperature distribution on the heating surface, as well as the pressure losses and pumping power in the operation of the studied heat sinks were obtained. Comparisons of the flow distribution uniformity in multiple flow channels, temperature uniformity on heating surfaces, and pumping power consumption of heat sinks with novel flow field configurations and conventional flow field configurations were conducted. It was concluded that the novel flow field configurations studied in this work exhibit appreciable benefits for application in heat sinks. - Highlights: → We present novel designs of flow channel configurations in liquid cooled heat sinks. → The flow and heat transfer in heat sinks were simulated using CFD tool. → The temperature and pressure loss in novel and conventional heat sinks were studied. → Figure of merit of heat sinks in different flow channel configurations was presented. → The heat sinks having our novel design of flow channel configurations are excellent.

Multi-configuration time-dependent density-functional theory based on range separation

DEFF Research Database (Denmark)

Fromager, E.; Knecht, S.; Jensen, Hans Jørgen Aagaard

2013-01-01

Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range Multi-Configuration- Self-Consistent Field (MCSCF) treatment with an adiabatic short...... (srGGA) approximations. As expected, when modeling long-range interactions with the MCSCF model instead of the adiabatic Buijse-Baerends density-matrix functional as recently proposed by Pernal [J. Chem. Phys. 136, 184105 (2012)10.1063/1.4712019], the description of both the 1D doubly-excited state...

A Comparative case study of remote area power supply systems using photovoltaic-battery vs thermoelectric-battery configuration

NARCIS (Netherlands)

Tan, Lippong; Date, Abhijit; Zhang, Bingjie; Singh, Baljit; Ganguly, Sayantan

The paper presents a comparative study of two types of remote area power supply (RAPS) systems, which are the existing photovoltaic-based (PV) configuration and the proposed thermoelectric-based (TE) configuration. Both RAPS systems are solar-based power generators and sized according to Melbourne

Snowflake divertor configuration studies for NSTX-Upgrade

International Nuclear Information System (INIS)

Soukhanovskii, V.A.

2011-01-01

Snowflake divertor experiments in NSTX provide basis for PMI development toward NSTX-Upgrade. Snowflake configuration formation was followed by radiative detachment. Significant reduction of steady-state divertor heat flux observed in snowflake divertor. Impulsive heat loads due to Type I ELMs are partially mitigated in snowflake divertor. Magnetic control of snowflake divertor configuration is being developed. Plasma material interface development is critical for NSTX-U success. Four divertor coils should enable flexibility in boundary shaping and control in NSTX-U. Snowflake divertor experiments in NSTX provide good basis for PMI development in NSTX-Upgrade. FY 2009-2010 snowflake divertor experiments in NSTX: (1) Helped understand control of magnetic properties; (2) Core H-mode confinement unchanged; (3) Core and edge carbon concentration reduced; and (4) Divertor heat flux significantly reduced - (a) Steady-state reduction due to geometry and radiative detachment, (b) Encouraging results for transient heat flux handling, (c) Combined with impurity-seeded radiative divertor. Outlook for snowflake divertor in NSTX-Upgrade: (1) 2D fluid modeling of snowflake divertor properties scaling - (a) Edge and divertor transport, radiation, detachment threshold, (b) Compatibility with cryo-pump and lithium conditioning; (2) Magnetic control development; and (3) PFC development - PFC alignment and PFC material choice.

Asymmetrical Polyhedral Configuration of Giant Vesicles Induced by Orderly Array of Encapsulated Colloidal Particles.

Science.gov (United States)

Natsume, Yuno; Toyota, Taro

2016-01-01

Giant vesicles (GVs) encapsulating colloidal particles by a specific volume fraction show a characteristic configuration under a hypertonic condition. Several flat faces were formed in GV membrane with orderly array of inner particles. GV shape changed from the spherical to the asymmetrical polyhedral configuration. This shape deformation was derived by entropic interaction between inner particles and GV membrane. Because a part of inner particles became to form an ordered phase in the region neighboring the GV membrane, free volume for the other part of particles increased. Giant vesicles encapsulating colloidal particles were useful for the model of "crowding effect" which is the entropic interaction in the cell.

Experimental and numerical studies on pressure drop in reverse electrodialysis: Effect of unit cell configuration

Energy Technology Data Exchange (ETDEWEB)

Hong, Sung Kook; Choi, Kyung Soo [Advanced Combustion Laboratory, Korea Institute of Energy Research, Daejeon (Korea, Republic of); Kim, Chan Soo; Hwang, Kyo Sik; Han, Ji Hyung; Kim, Han Ki; Jeong, Nam Jo [Jeju Global Research Center, Korea Institute of Energy Research, Jeju (Korea, Republic of)

2016-11-15

Experimental and numerical studies on pressure drop in Reverse electrodialysis (RED) were performed. In this study, a module with 200 unit cells is considered for the demonstration of bench-scale RED module and two different unit cell configurations are utilized. Pressure drop through the module is measured by varying flow rates. For evaluating the hydrodynamic characteristics in the unit cell, a numerical simulation is also conducted and the simplified method using a porous media model is employed to simulate the channel filled with spacer. Due to the insertion of spacer and narrow channel, great pressure loss occurs along the unit cell. Based on estimated pressure data, high pressure difference between seawater and fresh water channel takes place locally in the unit cell configuration with crossflow direction, leading to a leakage problem through the membrane and finally degradation in the output power. Consequently, it is confirmed that the unit cell configuration is one of the important design parameters in a RED module.

Study of blade-tower interaction using a 2D Navier-Stokes solver

Energy Technology Data Exchange (ETDEWEB)

Bertagnolio, F [Risoe National Lab., Wind Energy and Atmospheric Physics Dept., Roskilde (Denmark)

1999-03-01

The aim of this work is to model and study the dynamic interaction of the fluid flow with the structure which occurs when the blades of a wind turbine are passing in front of (or possibly behind) the tower. In order to capture the whole complexity of this phenomenon, the full unsteady Navier-Stokes equations for an incompressible fluid are used as a model. A new computational technique is described. For the sake of simplicity, we restrict ourselves to two-dimensional cases. The present methodology is illustrated by the computation of a wind turbine-like configuration in a periodic domain. (au)

Improved superposition schemes for approximate multi-caloron configurations

International Nuclear Information System (INIS)

Gerhold, P.; Ilgenfritz, E.-M.; Mueller-Preussker, M.

2007-01-01

Two improved superposition schemes for the construction of approximate multi-caloron-anti-caloron configurations, using exact single (anti-)caloron gauge fields as underlying building blocks, are introduced in this paper. The first improvement deals with possible monopole-Dirac string interactions between different calorons with non-trivial holonomy. The second one, based on the ADHM formalism, improves the (anti-)selfduality in the case of small caloron separations. It conforms with Shuryak's well-known ratio-ansatz when applied to instantons. Both superposition techniques provide a higher degree of (anti-)selfduality than the widely used sum-ansatz, which simply adds the (anti)caloron vector potentials in an appropriate gauge. Furthermore, the improved configurations (when discretized onto a lattice) are characterized by a higher stability when they are exposed to lattice cooling techniques

HLT configuration management system

CERN Document Server

Daponte, Vincenzo

2015-01-01

The CMS High Level Trigger (HLT) is implemented running a streamlined version of the CMS offline reconstruction software running on thousands of CPUs. The CMS software is written mostly in C++, using Python as its configuration language through an embedded CPython interpreter. The configuration of each process is made up of hundreds of modules, organized in sequences and paths. As an example, the HLT configurations used for 2011 data taking comprised over 2200 different modules, organized in more than 400 independent trigger paths. The complexity of the HLT configurations and the large number of configuration produced require the design of a suitable data management system. The present work describes the designed solution to manage the considerable number of configurations developed and to assist the editing of new configurations. The system is required to be remotely accessible and OS-independent as well as easly maintainable easy to use. To meet these requirements a three-layers architecture has been choose...

Deformed configurations, band structures and spectroscopic ...

Indian Academy of Sciences (India)

2014-03-20

Mar 20, 2014 ... The deformed configurations and rotational band structures in =50 Ge and Se nuclei are studied by deformed Hartree–Fock with quadrupole constraint and angular momentum projection. Apart from the `almost' spherical HF solution, a well-deformed configuration occurs at low excitation. A deformed ...

Status Configurations, Military Service and Higher Education.

Science.gov (United States)

Wang, Lin; Elder, Glen H; Spence, Naomi J

2012-12-01

The U.S. Armed Forces offer educational and training benefits as incentives for service. This study investigates the influence of status configurations on military enlistment and their link to greater educational opportunity. Three statuses (socioeconomic status of origin, cognitive ability and academic performance) have particular relevance for life course options. We hypothesize that young men with inconsistent statuses are more likely to enlist than men with consistent status profiles, and that military service improves access to college for certain configurations. Analyses of the National Longitudinal Study of Adolescent Health (Add Health) show (1. that several status configurations markedly increased the likelihood of military enlistment and (2. within status configurations, recruits were generally more likely to enroll in higher education than nonveterans, with associate degrees being more likely.

Empirical study of self-configuring genetic programming algorithm performance and behaviour

International Nuclear Information System (INIS)

KrasnoyarskiyRabochiy prospect, Krasnoyarsk, 660014 (Russian Federation))" data-affiliation=" (Siberian State Aerospace University named after Academician M.F. Reshetnev 31 KrasnoyarskiyRabochiy prospect, Krasnoyarsk, 660014 (Russian Federation))" >Semenkin, E; KrasnoyarskiyRabochiy prospect, Krasnoyarsk, 660014 (Russian Federation))" data-affiliation=" (Siberian State Aerospace University named after Academician M.F. Reshetnev 31 KrasnoyarskiyRabochiy prospect, Krasnoyarsk, 660014 (Russian Federation))" >Semenkina, M

2015-01-01

The behaviour of the self-configuring genetic programming algorithm with a modified uniform crossover operator that implements a selective pressure on the recombination stage, is studied over symbolic programming problems. The operator's probabilistic rates interplay is studied and the role of operator variants on algorithm performance is investigated. Algorithm modifications based on the results of investigations are suggested. The performance improvement of the algorithm is demonstrated by the comparative analysis of suggested algorithms on the benchmark and real world problems

Interaction, coalescence, and collapse of localized patterns in a quasi-one-dimensional system of interacting particles

Science.gov (United States)

Dessup, Tommy; Coste, Christophe; Saint Jean, Michel

2017-01-01

We study the path toward equilibrium of pairs of solitary wave envelopes (bubbles) that modulate a regular zigzag pattern in an annular channel. We evidence that bubble pairs are metastable states, which spontaneously evolve toward a stable single bubble. We exhibit the concept of topological frustration of a bubble pair. A configuration is frustrated when the particles between the two bubbles are not organized in a modulated staggered row. For a nonfrustrated (NF) bubble pair configuration, the bubbles interaction is attractive, whereas it is repulsive for a frustrated (F) configuration. We describe a model of interacting solitary wave that provides all qualitative characteristics of the interaction force: It is attractive for NF systems and repulsive for F systems and decreases exponentially with the bubbles distance. Moreover, for NF systems, the bubbles come closer and eventually merge as a single bubble, in a coalescence process. We also evidence a collapse process, in which one bubble shrinks in favor of the other one, overcoming an energetic barrier in phase space. This process is relevant for both NF systems and F systems. In NF systems, the coalescence prevails at low temperature, whereas thermally activated jumps make the collapse prevail at high temperature. In F systems, the path toward equilibrium involves a collapse process regardless of the temperature.

Configuration by Modularisation

DEFF Research Database (Denmark)

Riitahuhta, Asko; Andreasen, Mogens Myrup

1998-01-01

Globally operating companies have realized that locally customized products and services are today the prerequisite for the success. The capability or the paradigm to act locally in global markets is called Mass Customization [Victor 1997]. The prerequisite for Mass Customization is Configuration...... Management and i Configuration Management the most important means is Modularisation.The goal of this paper is to show Configuration Management as a contribution to the Mass Customisation and Modularisation as a contribution to the industrialisation of the design area [Andreasen 1997]. A basic model...... for the creation of a structured product family is presented and examples are given. The concepts of a novel Dynamic Modularisation method, Metrics for Modularisation and Design for Configurability are presented....

Risk-based configuration control system: Analysis and approaches

International Nuclear Information System (INIS)

Samanta, P.K.; Kim, I.S.; Lofgren, E.V.; Vesely, W.E.

1990-01-01

This paper presents an analysis of risks associated with component outage configurations during power operation of a nuclear power plant and discusses approaches and strategies for developing a risk-based configuration control system. A configuration, as used here, is a set of component states. The objective of risk-based configuration control is to detect and control plant configurations using a risk-perspective. The configuration contributions to core-melt frequency and core-melt probability are studied for two plants. Large core-melt frequency can be caused by configurations and there are a number of such configurations that are not currently controlled by technical specifications. However, the expected frequency of occurrence of the impacting configurations is small and the actual core-melt probability contributions are also generally small. Effective strategies and criteria for controlling configuration risks are presented. Such control strategies take into consideration the risks associated with configurations, the nature and characteristics of the configuration risks, and also the practical considerations such as adequate repair times and/or options to transfer to low risk configurations. Alternative types of criteria are discussed that are not overly restrictive to result in unnecessary plant shutdown, but rather motivates effective test and maintenance practices that control risk-significant configurations to allow continued operation with an adequate margin to meet challenges to safety

Risk-based configuration control system: Analysis and approaches

International Nuclear Information System (INIS)

Samanta, P.K.; Vesely, W.E.; Kim, I.S.; Lofgren, E.V.

1989-01-01

This paper presents an analysis of risks associated with component outage configurations during power operation of a nuclear power plant and discusses approaches and strategies for developing a risk-based configuration control system. A configuration, as used here, is a set of component states. The objective of risk-based configuration control is to detect and control plant configurations using a risk-perspective. The configuration contributions to core-melt frequency and core-melt probability are studied for two plants. Large core-melt frequency can be caused by configurations and there are a number of such configurations that are not currently controlled by technical specifications. However, the expected frequency of occurrence of the impacting configurations is small and the actual core-melt probability contributions are also generally small. Effective strategies and criteria for controlling configuration risks are presented. Such control strategies take into consideration the risks associated with configurations, the nature and characteristics of the configuration risks, and also the practical considerations such as adequate repair times and/or options to transfer to low risk configurations. Alternative types of criteria are discussed that are not overly restrictive to result in unnecessary plant shutdown, but rather motivates effective tests and maintenance practices that control; risk-significant configurations to allow continued operation with an adequate margin to meet challenges to safety. 3 refs., 7 figs., 2 tabs

Observation-Driven Configuration of Complex Software Systems

Science.gov (United States)

Sage, Aled

2010-06-01

The ever-increasing complexity of software systems makes them hard to comprehend, predict and tune due to emergent properties and non-deterministic behaviour. Complexity arises from the size of software systems and the wide variety of possible operating environments: the increasing choice of platforms and communication policies leads to ever more complex performance characteristics. In addition, software systems exhibit different behaviour under different workloads. Many software systems are designed to be configurable so that policies can be chosen to meet the needs of various stakeholders. For complex software systems it can be difficult to accurately predict the effects of a change and to know which configuration is most appropriate. This thesis demonstrates that it is useful to run automated experiments that measure a selection of system configurations. Experiments can find configurations that meet the stakeholders' needs, find interesting behavioural characteristics, and help produce predictive models of the system's behaviour. The design and use of ACT (Automated Configuration Tool) for running such experiments is described, in combination a number of search strategies for deciding on the configurations to measure. Design Of Experiments (DOE) is discussed, with emphasis on Taguchi Methods. These statistical methods have been used extensively in manufacturing, but have not previously been used for configuring software systems. The novel contribution here is an industrial case study, applying the combination of ACT and Taguchi Methods to DC-Directory, a product from Data Connection Ltd (DCL). The case study investigated the applicability of Taguchi Methods for configuring complex software systems. Taguchi Methods were found to be useful for modelling and configuring DC- Directory, making them a valuable addition to the techniques available to system administrators and developers.

Reference frame for Product Configuration

DEFF Research Database (Denmark)

Ladeby, Klaes Rohde; Oddsson, Gudmundur Valur

2011-01-01

a reference frame for configuration that permits 1) a more precise understanding of a configuration system, 2) a understanding of how the configuration system relate to other systems, and 3) a definition of the basic concepts in configuration. The total configuration system, together with the definition...

Risk-based configuration control system: Analysis and approaches

International Nuclear Information System (INIS)

Samanta, P.K.; Kim, I.S.; Vesely, W.E.; Lofgren, E.V.

1989-01-01

This paper presents an evaluation of the configuration risks associated with the operation of a nuclear power plant and the approaches to control these risks using risk-based configuration control considerations. In that context, the actual and maximum potential configuration risks at a plant are analyzed and the alternative types criteria for a risk-based configuration control systems are described. The risk-based configuration calculations which are studied here focus on the core-melt frequency impacts from given plant configurations. By calculating the core-melt frequency for given configurations, the configurations which cause large core-melt frequency increases can be identified and controlled. The duration time in which the configuration can exist can then be limited or the core-melt frequency level associated with the configuration can be reduced by various actions. Furthermore, maintenances and tests can be scheduled to avoid the configurations which cause large core-melt frequency increases. Present technical specifications do not control many of these configurations which can cause large core-melt frequency increases but instead focus on many risk-unimportant allowed outage times. Hence, risk-based configuration management can be effectively used to reduce core-melt frequency associated risks at a plant and at the same time can provide flexibility in plant operation. The alternative strategies for controlling the core-melt frequency and other risk contributions include: (1) controlling the increased risk level which is associated with the configuration; (2) controlling the individual configuration risk which is associated with a given duration of a configuration; (3) controlling the time period configuration risk from configurations which occur in a time period

Software configuration management

CERN Document Server

Keyes, Jessica

2004-01-01

Software Configuration Management discusses the framework from a standards viewpoint, using the original DoD MIL-STD-973 and EIA-649 standards to describe the elements of configuration management within a software engineering perspective. Divided into two parts, the first section is composed of 14 chapters that explain every facet of configuration management related to software engineering. The second section consists of 25 appendices that contain many valuable real world CM templates.

Optimal sensor configuration for complex systems

DEFF Research Database (Denmark)

Sadegh, Payman; Spall, J. C.

1998-01-01

configuration is based on maximizing the overall sensor response while minimizing the correlation among the sensor outputs. The procedure for sensor configuration is based on simultaneous perturbation stochastic approximation (SPSA). SPSA avoids the need for detailed modeling of the sensor response by simply......Considers the problem of sensor configuration for complex systems. Our approach involves definition of an appropriate optimality criterion or performance measure, and description of an efficient and practical algorithm for achieving the optimality objective. The criterion for optimal sensor...... relying on observed responses as obtained by limited experimentation with test sensor configurations. We illustrate the approach with the optimal placement of acoustic sensors for signal detection in structures. This includes both a computer simulation study for an aluminum plate, and real...

Study of High Lift Configurations

Science.gov (United States)

Edward, Jack R.; Hassan, Hassan A.

2000-01-01

This project focus on the implementation of the Warren-Hassan transition / turbulence model (Journal of Aircraft, Vol. 35, No. 5) into the NASA code CFL3D and its testing for multi-element airfoils in landing configuration at different angles of attack. The Warren-Hassan transition model solves an evolution equation for a kinetic energy characteristic of non-turbulent fluctuations. This is combined with an empirical estimate of the frequency of the most amplified first-mode disturbance to yield an expression for an eddy viscosity characteristic of non-turbulent fluctuations. This is combined with the k - zeta model for fully turbulent flow to yield a unified approach capable of predicting both transition onset and extent. Blending of the non-turbulent and turbulent components of the model is accomplished by an intermittency function based on the work of Dhawan and Narasimha (Journal of Fluid Mechanics, Vol. 3, No. 4).

Experimental research on crossing shock wave boundary layer interactions

Science.gov (United States)

Settles, G. S.; Garrison, T. J.

1994-10-01

An experimental research effort of the Penn State Gas Dynamics Laboratory on the subject of crossing shock wave boundary layer interactions is reported. This three year study was supported by AFOSR Grant 89-0315. A variety of experimental techniques were employed to study the above phenomena including planar laser scattering flowfield visualization, kerosene lampblack surface flow visualization, laser-interferometer skin friction surveys, wall static pressure measurements, and flowfield five-hole probe surveys. For a model configuration producing two intersecting shock waves, measurements were made for a range of oblique shock strengths at freestream Mach numbers of 3.0 and 3.85. Additionally, measurements were made at Mach 3.85 for a configuration producing three intersecting waves. The combined experimental dataset was used to formulate the first detailed flowfield models of the crossing-shock and triple-shock wave/boundary layer interactions. The structure of these interactions was found to be similar over a broad range of interaction strengths and is dominated by a large, separated, viscous flow region.

Low-energy structure studies of odd-odd deformed nuclei and the coriolis and residual interactions

Energy Technology Data Exchange (ETDEWEB)

Dewberry, R.A.

1980-08-01

The nuclear level structure of /sup 176/Lu, /sup 170/Tm, /sup 166/Ho, and /sup 160/Tb have been studied by means of the /sup 177/Hf(t,..cap alpha..)/sup 176/Lu, /sup 171/Yb(t,..cap alpha..)/sup 170/Tm, /sup 167/Er(t,..cap alpha..)/sup 166/Ho, and /sup 161/Dy(t,..cap alpha..)/sup 160/Tb reactions and with the use of previously published (d,p) spectroscopy and gamma transitions from the (n,..gamma..) reactions. The (t,..cap alpha..) reactions have been performed and analyzed with 17 MeV tritons and the Los Alamos Q3D spectrometer. Eighty-one new rotational states in excited proton configurations or vibrational excited states are proposed. An independent parameterization of the Coriolis interaction is presented, which leads to satisfactory results in reproducing experimental single-particle transfer reaction cross-sections by theoretical calculations. The anomalous population of the excited neutron configurations (404 reduces to -624 up arrow) in /sup 176/Lu and (411 reduces to +- 512 up arrow) in /sup 170/Tm, and the anomalously low (t,..cap alpha..) cross-sections of the (411 up arrow +- 633 up arrow) configuration in /sup 166/Ho are observed. Qualitative explanation of the anomalies is presented in terms of the mixing of states which satisfy the requirement delta/sub I'/,/sub I/delta/sub K'/,/sub K/. Off-diagonal H/sub INT/ matrix elements are calculated, which show that the residual interaction cannot be used to account for the magnitude of the cross-sections observed.

Status Configurations, Military Service and Higher Education

Science.gov (United States)

Wang, Lin; Elder, Glen H.; Spence, Naomi J.

2012-01-01

The U.S. Armed Forces offer educational and training benefits as incentives for service. This study investigates the influence of status configurations on military enlistment and their link to greater educational opportunity. Three statuses (socioeconomic status of origin, cognitive ability and academic performance) have particular relevance for life course options. We hypothesize that young men with inconsistent statuses are more likely to enlist than men with consistent status profiles, and that military service improves access to college for certain configurations. Analyses of the National Longitudinal Study of Adolescent Health (Add Health) show (1. that several status configurations markedly increased the likelihood of military enlistment and (2. within status configurations, recruits were generally more likely to enroll in higher education than nonveterans, with associate degrees being more likely. PMID:24511161

International Space Station Configuration Analysis and Integration

Science.gov (United States)

Anchondo, Rebekah

2016-01-01

Ambitious engineering projects, such as NASA's International Space Station (ISS), require dependable modeling, analysis, visualization, and robotics to ensure that complex mission strategies are carried out cost effectively, sustainably, and safely. Learn how Booz Allen Hamilton's Modeling, Analysis, Visualization, and Robotics Integration Center (MAVRIC) team performs engineering analysis of the ISS Configuration based primarily on the use of 3D CAD models. To support mission planning and execution, the team tracks the configuration of ISS and maintains configuration requirements to ensure operational goals are met. The MAVRIC team performs multi-disciplinary integration and trade studies to ensure future configurations meet stakeholder needs.

Chemical interactions and configurational disorder in silicate melts

Directory of Open Access Journals (Sweden)

G. Ottonello

2005-06-01

Full Text Available The Thermodynamics of quasi-chemical and polymeric models are briefly reviewed. It is shown that the two classes are mutually consistent, and that opportune conversion of the existing quasi-chemical parameterization of binary interactions in MO-SiO2 joins to polymeric models may be afforded without substantial loss of precision. It is then shown that polymeric models are extremely useful in deciphering the structural and reactive properties of silicate melts and glasses. They not only allow the Lux-Flood character of the dissolved oxides to be established, but also discriminate subordinate strain energy contributions to the Gibbs free energy of mixing from the dominant chemical interaction terms. This discrimination means that important information on the short-, medium- and long-range periodicity of this class of substances can be retrieved from thermodynamic analysis. Lastly, it is suggested that an important step forward in deciphering the complex topology of the inhomogeneity ranges observed at high SiO2 content can be performed by applying SCMF theory and, particularly, Matsen-Schick spectral analysis, hitherto applied only to rubberlike materials.

Electronic excitation of molecules in solution calculated using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model

International Nuclear Information System (INIS)

Fukuda, Ryoichi; Ehara, Masahiro

2015-01-01

The effects from solvent environment are specific to the electronic states; therefore, a computational scheme for solvent effects consistent with the electronic states is necessary to discuss electronic excitation of molecules in solution. The PCM (polarizable continuum model) SAC (symmetry-adapted cluster) and SAC-CI (configuration interaction) methods are developed for such purposes. The PCM SAC-CI adopts the state-specific (SS) solvation scheme where solvent effects are self-consistently considered for every ground and excited states. For efficient computations of many excited states, we develop a perturbative approximation for the PCM SAC-CI method, which is called corrected linear response (cLR) scheme. Our test calculations show that the cLR PCM SAC-CI is a very good approximation of the SS PCM SAC-CI method for polar and nonpolar solvents

The study of a space configuration using space syntax analysis Case study: an elderly housing

Science.gov (United States)

Mariana, Yosica; Triwardhani, Arindra J.; Isnaeni Djimantoro, Michael

2017-12-01

The improvement in various aspect leads to prolong the life span of human life, which increasing the number of elderly in the urban areas in return. But the increasing population is not supported by the provision of adequate housing facilities for them. Most of the elderly house in Jakarta, is designed just like for common people without relizing thatthey had physical and mentally degradation following the age. Therefore, the elderly house need to design with special attention to their daily activity mobility which applied in effective room configuration. The connectivity between the activities is most important element to order the room configuration. This research conduct to search the room configuration in elderly house which can improve their productivity and live quality by using the space syntax theory. The research methods by using the syntactic plug-in in Grasshooper software and analyse the integration, choice, control value and entrophy in the activity configuration. The result show that the effective and efficient for elderly house is cluster centralized pattern. The lobby and reception take the important role as the integration aspect and the spatial awareness according to elderly activity.

Configuration of supply chains in emerging industries: a multiple-case study in the wave-and-tidal energy industry

OpenAIRE

Bjørgum, Øyvind; Netland, Torbjørn H.

2017-01-01

Companies in emerging industries face particular challenges in configuring effective supply chains. In this paper, we build on transaction cost economics to explore how supply chains can be configured in emerging industries. We focus on two key aspects of supply chain configuration: the make-or-buy decision and the strength of the ties between a focal firm and its suppliers. We utilise a multiple-case study methodology, including seven start-up companies in the emerging wave-and-tidal energy ...

MICROCONTROLLER PIN CONFIGURATION TOOL

OpenAIRE

Bhaskar Joshi; F. Mohammed Rizwan; Dr. Rajashree Shettar

2012-01-01

Configuring the micro controller with large number of pins is tedious. Latest Infine on microcontroller contains more than 200 pins and each pin has classes of signals. Therefore the complexity of the microcontroller is growing. It evolves looking into thousands of pages of user manual. For a user it will take days to configure the microcontroller with the peripherals. We need an automated tool to configure the microcontroller so that the user can configure the microcontroller without having ...

Ladder Ising spin configurations. Pt. 1. Heat capacity

International Nuclear Information System (INIS)

Mejdani, R.; Lambros, A.

1996-01-01

We consider a ladder Ising spin model (with two coupled Ising spin chains), characterized by two couplings (interchain and intrachain couplings), to study in detail, in an analytical way, its thermal behaviour and particularly the variation of the specific heat versus temperature, the ratio of interaction constants, and the magnetic field. It is interesting that when the competition between interchain and intrachain interactions is strong the specific heat exhibits a double peak and when the competition is not so strong the specific heat has a single peak. Further, without entering into details, we give, in a numerical way, some similar results for more complicated ladder configurations (with more than two linear Ising chains). The spin-1/2 ladders or systems of spin chains may be realized in nature by vanadyl pyrophosphate ((VO) 2 P 2 O 7 ) or similar materials. All these intermediate systems are today important to gain further insight into the physics of one-dimensional spin chains and two-dimensional high-T c spin systems, both of which have shown interesting and unusual magnetic and superconducting properties. It is plausible that experimental and theoretical studies of ladders may lead to other interesting physical phenomena. (orig.)

Evaluating the fermionic determinant of dynamical configurations

International Nuclear Information System (INIS)

Hasenfratz, Anna; Alexandru, Andrei

2002-01-01

We propose and study an improved method to calculate the fermionic determinant of dynamical configurations. The evaluation or at least stochastic estimation of the ratios of fermionic determinants is essential for a recently proposed updating method of smeared link dynamical fermions. This update creates a sequence of configurations by changing a subset of the gauge links by a pure gauge heat bath or over-relaxation step. The acceptance of the proposed configuration depends on the ratio of the fermionic determinants on the new and original configurations. We study this ratio as a function of the number of links that are changed in the heat bath update. We find that even when every link of a given direction and parity of a 10 fm 4 configuration is updated, the average of the determinant ratio is still close to one and with the improved stochastic estimator the proposed change is accepted with about 20% probability. This improvement suggests that the new updating technique can be efficient even on large lattices and could provide an updating method for dynamical overlap actions

Gas/liquid flow configurations

International Nuclear Information System (INIS)

Bonin, Jacques; Fitremann, J.-M.

1978-01-01

Prediction of flow configurations (morphology) for gas/liquid or liquid/vapour mixtures is an important industrial problem which is not yet fully understood. The ''Flow Configurations'' Seminar of Societe Hydrotechnique de France has framed recommendations for investigation of potential industrial applications for flow configurations [fr

A multi-institutional Stellarator Configuration Study

Science.gov (United States)

Gates, David

2017-10-01

A multi-institutional study aimed at mapping the space of quasi-axisymmetric stellarators has begun. The goal is to gain improved understanding of the dependence of important physics and engineering parameters (e.g. bootstrap current, stability, coil complexity, etc.) on plasma shape (average elongation, aspect ratio, number of periods). In addition, the stellarator optimization code STELLOPT will be upgraded with new capabilities such as improved coil design algorithms such as COILOPT + + and REGCOIL, divertor optimization options, equilibria with islands using the SPEC code, and improved bootstrap current calculations with the SFINCS code. An effort is underway to develop metrics for divertor optimization. STELLOPT has also had numerous improvements to numerical algorithms and parallelization capabilities. Simultaneously, we also are pursuing the optimization of turbulent transport according to the method of proxy functions. Progress made to date includes an elongation scan on quasi-axisymmetric equilibria and an initial comparison between the SFINCS code and the BOOTSJ calculation of bootstrap current currently available in STELLOPT. Further progress on shape scans and subsequent physics analysis will be reported. The status of the STELLOPT upgrades will be described. The eventual goal of this exercise is to identify attractive configurations for future US experimental facilities.. This work is supported by US DoE Contract Number DE-AC02-09CH11466.

MCSCF wave functions for excited states of polar molecules - Application to BeO. [Multi-Configuration Self-Consistent Field

Science.gov (United States)

Bauschlicher, C. W., Jr.; Yarkony, D. R.

1980-01-01

A previously reported multi-configuration self-consistent field (MCSCF) algorithm based on the generalized Brillouin theorem is extended in order to treat the excited states of polar molecules. In particular, the algorithm takes into account the proper treatment of nonorthogonality in the space of single excitations and invokes, when necessary, a constrained optimization procedure to prevent the variational collapse of excited states. In addition, a configuration selection scheme (suitable for use in conjunction with extended configuration interaction methods) is proposed for the MCSCF procedure. The algorithm is used to study the low-lying singlet states of BeO, a system which has not previously been studied using an MCSCF procedure. MCSCF wave functions are obtained for three 1 Sigma + and two 1 Pi states. The 1 Sigma + results are juxtaposed with comparable results for MgO in order to assess the generality of the description presented here.

Configuration management at NEK

International Nuclear Information System (INIS)

Podhraski, M.

1999-01-01

Configuration Management (CM) objectives at NEK are to ensure consistency between Design Requirements, Physical Plant Configuration and Configuration Information. Software applications, supporting Design Change, Work Control and Document Control Processes, are integrated in one module-oriented Management Information System (MIS). Master Equipment Component List (MECL) database is central MIS module. Through a combination of centralized database and process migrated activities it is ensured that the CM principles and requirements (accurate, current design data matching plant's physical configuration while complying to applicable requirements), are followed and fulfilled.(author)

Configurational isomerism in polyoxovanadates

Energy Technology Data Exchange (ETDEWEB)

Mahnke, Lisa K.; Naether, Christian; Bensch, Wolfgang [Institut fuer Anorganische Chemie, Christian-Albrechts-Universitaet, Kiel (Germany); Kondinski, Aleksandar; Van Leusen, Jan; Monakhov, Kirill Yu.; Koegerler, Paul [Institut fuer Anorganische Chemie, RWTH Aachen University (Germany); Warzok, Ulrike; Schalley, Christoph A. [Institut fuer Chemie und Biochemie, Freie Universitaet Berlin (Germany)

2018-03-05

A water-soluble derivative of the polyoxovanadate {V_1_5E_6O_4_2} (E=semimetal) archetype enables the study of cluster shell rearrangements driven by supramolecular interactions. A reaction unique to E=Sb, induced exclusively by ligand metathesis in peripheral [Ni(ethylenediamine){sub 3}]{sup 2+} counterions, results in the formation of the metastable α{sub 1}* configurational isomer of the {V_1_4Sb_8O_4_2} cluster type. Contrary to all other polyoxovanadate shell architectures, this isomer comprises an inward-oriented vanadyl group and is ca. 50 and 12 kJ mol{sup -1} higher in energy than the previously isolated α and β isomers, respectively. We discuss this unexpected reaction in light of supramolecular Sb-O..V and Sb-O..Sb contacts manifested in {V_1_4Sb_8O_4_2}{sub 2} dimers detected in the solid state. ESI MS experiments confirm the stability of these dimers also in solution and in the gas phase. DFT calculations indicate that other, as of yet elusive isomers of {V_1_4Sb_8}, might be accessible as well. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Atomic simulations for configurations and solid-liquid interface of Li-Fe and Li-Cu icosahedra

Energy Technology Data Exchange (ETDEWEB)

Yang, Jianyu, E-mail: hnieyjy@aliyun.com [Hunan Institute of Engineering (China); Hu, Wangyu [Hunan University, College of Materials Science and Engineering (China); Dai, Xiongying [Hunan Institute of Engineering, College of Science (China)

2017-04-15

The melting point of Li is lower than that of Fe (or Cu); thus, solid-liquid interfaces can be easily formed on Li-Fe and Li-Cu nanoalloys. In this work, the configurations and solid-liquid interfaces of Li-Fe and Li-Cu icosahedra are studied using Monte Carlo and molecular dynamics methods. The atomic interactions are described by the analytic embedded-atom method. The dependence of composition, temperature, and nanoparticle size on the configurations and thermal stabilities of nanoalloys is discussed. The behavior of the Li-Fe and Li-Cu nanoalloys in segregation, configuration, and thermal stability is investigated. A different behavior of surface segregation of Li atoms is observed for the two types of nanoalloys. The interface between the Li and Fe atoms is clear. Mixing of Li with Cu at larger nanoparticle sizes is found because of low heat of formation in the system. The configurations of the Li-Fe and Li-Cu nanoalloys are related to the competition between surface segregation and alloying. The thermal stability of Li in the two types of nanoalloys is enhanced by the support of the Fe (or Cu) solid substrate.

High-Fidelity Multidisciplinary Design Optimization of Aircraft Configurations

Science.gov (United States)

Martins, Joaquim R. R. A.; Kenway, Gaetan K. W.; Burdette, David; Jonsson, Eirikur; Kennedy, Graeme J.

2017-01-01

To evaluate new airframe technologies we need design tools based on high-fidelity models that consider multidisciplinary interactions early in the design process. The overarching goal of this NRA is to develop tools that enable high-fidelity multidisciplinary design optimization of aircraft configurations, and to apply these tools to the design of high aspect ratio flexible wings. We develop a geometry engine that is capable of quickly generating conventional and unconventional aircraft configurations including the internal structure. This geometry engine features adjoint derivative computation for efficient gradient-based optimization. We also added overset capability to a computational fluid dynamics solver, complete with an adjoint implementation and semiautomatic mesh generation. We also developed an approach to constraining buffet and started the development of an approach for constraining utter. On the applications side, we developed a new common high-fidelity model for aeroelastic studies of high aspect ratio wings. We performed optimal design trade-o s between fuel burn and aircraft weight for metal, conventional composite, and carbon nanotube composite wings. We also assessed a continuous morphing trailing edge technology applied to high aspect ratio wings. This research resulted in the publication of 26 manuscripts so far, and the developed methodologies were used in two other NRAs. 1

Post-liquefaction soil-structure interaction for buried structures: Sensitivity analysis studies

International Nuclear Information System (INIS)

Pires, J.A.; Ang, H.S.; Katayama, I.; Satoh, M.

1993-01-01

The post liquefaction behavior of buried conduits is analyzed and sensitivity analysis is conducted to investigate the damage potential of the forces induced in the buried lifelines following seismically induced liquefaction of the surrounding soil. Various lifeline configurations and loading conditions are considered. The loading conditions considered are: buoyancy forces and permanent ground displacements parallel to the lifeline axis. Pertinent parameters for the soil-lifeline interaction following liquefaction are identified. (author)

Patterns in the Pythagorean Configuration and Some Extensions: The Power of Interactive Geometry Software

Science.gov (United States)

Contreras, José

2015-01-01

In this paper I describe classroom experiences with pre-service secondary mathematics teachers (PSMTs) investigating and extending patterns embedded in the Pythagorean configuration. This geometric figure is a fruitful source of mathematical tasks to help students, including PSMTs, further develop habits of mind such as visualization,…

Experiment Simulation Configurations Used in DUNE CDR

Energy Technology Data Exchange (ETDEWEB)

Alion, T. [Univ. of South Carolina, Columbia, SC (United States); Black, J. J. [Univ. of Warwick, Coventry (United Kingdom); Bashyal, A. [Oregon State Univ., Corvallis, OR (United States); Bass, M. [Univ. of Oxford (United Kingdom); Bishai, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Cherdack, D. [Colorado State Univ., Fort Collins, CO (United States); Diwan, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Djurcic, Z. [Argonne National Lab. (ANL), Argonne, IL (United States); Evans, J. [Univ. of Manchester (United Kingdom); Fernandez-Martinez, E. [Madrid Autonama Univ. (Spain); Fields, L. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Fleming, B. [Yale Univ., New Haven, CT (United States); Gran, R. [Univ. of Minnesota, Duluth, MN (United States); Guenette, R. [Univ. of Oxford (United Kingdom); Hewes, J. [Univ. of Manchester (United Kingdom); Hogan, M. [Colorado State Univ., Fort Collins, CO (United States); Hylen, J. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Junk, T. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Kohn, S. [Univ. of California, Berkeley, CA (United States); LeBrun, P. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Lundberg, B. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Marchionni, A. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Morris, C. [Univ. of California, Berkeley, CA (United States); Papadimitriou, V. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Rameika, R. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Rucinski, R. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Soldner-Rembold, S. [Univ. of Manchester (United Kingdom); Sorel, M. [Spanish National Research Council (CSIC), Valencia (Spain). Univ. of Valencia (UV), Inst. de Fisica Corpuscular; Urheim, J. [Indiana Univ., Bloomington, IN (United States); Viren, B. [Brookhaven National Lab. (BNL), Upton, NY (United States); Whitehead, L. [Univ. of Houston, TX (United States); Wilson, R. [Colorado State Univ., Fort Collins, CO (United States); Worcester, E. [Brookhaven National Lab. (BNL), Upton, NY (United States); Zeller, G. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

2016-06-30

The LBNF/DUNE CDR describes the proposed physics program and experimental design at the conceptual design phase. Volume 2, entitled The Physics Program for DUNE at LBNF, outlines the scientific objectives and describes the physics studies that the DUNE collaboration will perform to address these objectives. The long-baseline physics sensitivity calculations presented in the DUNE CDR rely upon simulation of the neutrino beam line, simulation of neutrino interactions in the far detector, and a parameterized analysis of detector performance and systematic uncertainty. The purpose of this posting is to provide the results of these simulations to the community to facilitate phenomenological studies of long-baseline oscillation at LBNF/DUNE. Additionally, this posting includes GDML of the DUNE single-phase far detector for use in simulations. DUNE welcomes those interested in performing this work as members of the collaboration, but also recognizes the benefit of making these configurations readily available to the wider community.

A new approach to configurable primary data collection.

Science.gov (United States)

Stanek, J; Babkin, E; Zubov, M

2016-09-01

The formats, semantics and operational rules of data processing tasks in genomics (and health in general) are highly divergent and can rapidly change. In such an environment, the problem of consistent transformation and loading of heterogeneous input data to various target repositories becomes a critical success factor. The objective of the project was to design a new conceptual approach to configurable data transformation, de-identification, and submission of health and genomic data sets. Main motivation was to facilitate automated or human-driven data uploading, as well as consolidation of heterogeneous sources in large genomic or health projects. Modern methods of on-demand specialization of generic software components were applied. For specification of input-output data and required data collection activities, we propose a simple data model of flat tables as well as a domain-oriented graphical interface and portable representation of transformations in XML. Using such methods, the prototype of the Configurable Data Collection System (CDCS) was implemented in Java programming language with Swing graphical interfaces. The core logic of transformations was implemented as a library of reusable plugins. The solution is implemented as a software prototype for a configurable service-oriented system for semi-automatic data collection, transformation, sanitization and safe uploading to heterogeneous data repositories-CDCS. To address the dynamic nature of data schemas and data collection processes, the CDCS prototype facilitates interactive, user-driven configuration of the data collection process and extends basic functionality with a wide range of third-party plugins. Notably, our solution also allows for the reduction of manual data entry for data originally missing in the output data sets. First experiments and feedback from domain experts confirm the prototype is flexible, configurable and extensible; runs well on data owner's systems; and is not dependent on

Study of the full-service and low-cost carriers network configuration

Directory of Open Access Journals (Sweden)

Oriol Lordan

2014-10-01

Full Text Available Purpose: The network strategies used by airline carriers have been a recurring subject in air transport research. The aim of this paper is to investigate the relationship between the different operational characteristics of the airline and its route network configuration. Design/methodology/approach: The two main airline carrier typologies - Full-Service and Low-Cost carriers – are analysed using empirical models developed on complex network research relating them to the business model of the airlines. Findings and Originality/value: Just in Europe, one can differentiate between Full-Service and Low-Cost Carriers by complex network analyses. In this process, it has been also found that new concept Low-Cost Carriers, such as Vueling, have network properties closer to Full-Service Carriers. Research limitations/implications: This paper has a limited sample, as includes 26 airline case studies from Europe, United States and Asia. Practical implications: The analysis carried out in this research can help to the assessment of the evolution of the strategies of airline carriers, and has also operational implications, since the configuration of an airline route network can determine its resilience to attacks and errors. Social implications: A better understanding of the properties of airline route networks can benefit airlines, passengers and another stakeholders of the air transport industry. Originality/value: Current research on air transport networks has only considered the global or regional level, but few studies have addressed the study of airline transport networks, and its relationship with their business model.

Computational strong-field quantum dynamics. Intense light-matter interactions

International Nuclear Information System (INIS)

Bauer, Dieter

2017-01-01

This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

Computational strong-field quantum dynamics. Intense light-matter interactions

Energy Technology Data Exchange (ETDEWEB)

Bauer, Dieter (ed.) [Rostock Univ. (Germany). Inst. fuer Physik

2017-09-01

This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

Computational strong-field quantum dynamics intense light-matter interactions

CERN Document Server

2017-01-01

This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time-dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi-configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

Configurations of Leadership Practices in Hospital Units

DEFF Research Database (Denmark)

Meier, Ninna

2015-01-01

configurations of leadership practices varied in four different clinical settings, thus contributing with contextual accounts of leadership as practice, and suggested “configurations of practice” as a way to carve out similarities and differences in leadership practices across settings....... and interviews with ten interdisciplinary clinical managers. Findings: – Comparing leadership as configurations of practices across four different clinical settings, the author shows how flexible and often shared leadership practices were embedded in and central to the core clinical work in all units studied...

Gravitational collapse of dark energy field configurations and supermassive black hole formation

International Nuclear Information System (INIS)

Jhalani, V.; Kharkwal, H.; Singh, A.

2016-01-01

Dark energy is the dominant component of the total energy density of our Universe. The primary interaction of dark energy with the rest of the Universe is gravitational. It is therefore important to understand the gravitational dynamics of dark energy. Since dark energy is a low-energy phenomenon from the perspective of particle physics and field theory, a fundamental approach based on fields in curved space should be sufficient to understand the current dynamics of dark energy. Here, we take a field theory approach to dark energy. We discuss the evolution equations for a generic dark energy field in curved space-time and then discuss the gravitational collapse for dark energy field configurations. We describe the 3 + 1 BSSN formalism to study the gravitational collapse of fields for any general potential for the fields and apply this formalism to models of dark energy motivated by particle physics considerations. We solve the resulting equations for the time evolution of field configurations and the dynamics of space-time. Our results show that gravitational collapse of dark energy field configurations occurs and must be considered in any complete picture of our Universe. We also demonstrate the black hole formation as a result of the gravitational collapse of the dark energy field configurations. The black holes produced by the collapse of dark energy fields are in the supermassive black hole category with the masses of these black holes being comparable to the masses of black holes at the centers of galaxies.

Gravitational collapse of dark energy field configurations and supermassive black hole formation

Energy Technology Data Exchange (ETDEWEB)

Jhalani, V.; Kharkwal, H.; Singh, A., E-mail: anupamsingh.iitk@gmail.com [L. N. Mittal Institute of Information Technology, Physics Department (India)

2016-11-15

Dark energy is the dominant component of the total energy density of our Universe. The primary interaction of dark energy with the rest of the Universe is gravitational. It is therefore important to understand the gravitational dynamics of dark energy. Since dark energy is a low-energy phenomenon from the perspective of particle physics and field theory, a fundamental approach based on fields in curved space should be sufficient to understand the current dynamics of dark energy. Here, we take a field theory approach to dark energy. We discuss the evolution equations for a generic dark energy field in curved space-time and then discuss the gravitational collapse for dark energy field configurations. We describe the 3 + 1 BSSN formalism to study the gravitational collapse of fields for any general potential for the fields and apply this formalism to models of dark energy motivated by particle physics considerations. We solve the resulting equations for the time evolution of field configurations and the dynamics of space-time. Our results show that gravitational collapse of dark energy field configurations occurs and must be considered in any complete picture of our Universe. We also demonstrate the black hole formation as a result of the gravitational collapse of the dark energy field configurations. The black holes produced by the collapse of dark energy fields are in the supermassive black hole category with the masses of these black holes being comparable to the masses of black holes at the centers of galaxies.

Application of Configurators in Networks

DEFF Research Database (Denmark)

Malis, Martin; Hvam, Lars

2003-01-01

Shorter lead-time, improved quality of product specifications and better communication with customers and suppliers are benefits derived from the application of configurators. Configurators are knowledge-based IT-systems that can be applied to deal with product knowledge and to support different...... processes in a company. Traditionally, configurators have been used as an internal tool. In this paper focus will be on the application of configurators in a network of companies, and a procedure for developing product configurators in a network of companies will be presented. The aim is to present...... a structured guideline, tools and methods on how to successfully develop configurators in a network perspective. Findings presented in this paper are supported by research in a case company. The results from the empirical work show a huge potential for the application of configurators in networks of companies....

Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

International Nuclear Information System (INIS)

Ehara, Masahiro; Piecuch, Piotr; Lutz, Jesse J.; Gour, Jeffrey R.

2012-01-01

Graphical abstract: Electronically excited states of CuCl 4 2- and CuBr 4 2- are determined using the scalar relativistic symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster calculations. The results are compared with experimental spectra. Highlights: ► Electronic spectra of CuCl 4 2- and CuBr 4 2- are examined by SAC-CI and EOMCC methods. ► Relativistic SAC-CI and EOMCC results are compared with experimental spectra. ► An assignment of bands in the CuCl 4 2- and CuBr 4 2- absorption spectra is obtained. ► Relativistic effects affect excitation energies and ground-state geometries. ► The effect of relativity on the oscillator strengths is generally small. - Abstract: The valence excitation spectra of the copper tetrachloride and copper tetrabromide open-shell dianions, CuCl 4 2- and CuBr 4 2- , respectively, are investigated by a variety of symmetry-adapted-cluster configuration-interaction (SAC-CI) and equation-of-motion coupled-cluster (EOMCC) methods. The valence excited states of the CuCl 4 2- and CuBr 4 2- species that correspond to transitions from doubly occupied molecular orbitals (MOs) to a singly occupied MO (SOMO), for which experimental spectra are available, are examined with the ionized (IP) variants of the SAC-CI and EOMCC methods. The higher-energy excited states of CuCl 4 2- and CuBr 4 2- that correspond to transitions from SOMO to unoccupied MOs, which have not been characterized experimentally, are determined using the electron-attached (EA) SAC-CI and EOMCC approaches. An emphasis is placed on the scalar relativistic SAC-CI and EOMCC calculations based on the spin-free part of the second-order Douglass–Kroll–Hess Hamiltonian (DKH2) and on a comparison of the results of the IP and EA SAC-CI and EOMCC calculations with up to 2-hole-1-particle (2h-1p) and 2-particle-1-hole (2p-1h) excitations, referred to as the IP-SAC-CI SD-R and IP-EOMCCSD(2h-1p) methods in the IP case and EA-SAC-CI SD-R and EA

Toward risk-based control of nuclear power plant configurations

International Nuclear Information System (INIS)

Samanta, P.K.; Veseley, W.E.; Kim, I.S.

1992-01-01

This paper presents an evaluation of the configuration risks associated with the operation of a nuclear power plant and the approaches to control these risks using risk-based configuration control considerations. In that context, the actual and maximum potential configuration risks at a plant are analyzed and the alternative types criteria for a risk-based configuration control systems are described. The risk-based configuration calculations which are studied here focus on the core-melt frequency impacts from given plant configurations, the configurations which cause large core-melt frequency increases can be identified and controlled. The duration time in which the configuration can exist can then be limited or the core-melt frequency level associated with the configuration can be reduced by various actions. Futhermore, maintenances and tests can be scheduled to avoid the configurations which cause large core-melt frequency increases. Present technical specifications do not control many of these configurations which can cause large core-melt frequency increases but instead focus on many risk-unimportant allowed outage times. Hence, risk-based configuration management can be effectively used to reduce core-melt frequency associated risks at a plant and at the same time can provide flexibility in plant operation. The alternative strategies for controlling the core-melt frequency and other risk contributions include: (1) controlling the increased risk level which is associated with the configuration; (2) controlling the individual configuration risk which is associated with a given duration of a configuration; (3) controlling the time period configuration risk from configurations which occur in a time period. (orig.)

Energy efficient piston configuration for effective air motion – A CFD study

International Nuclear Information System (INIS)

Gnana Sagaya Raj, Antony Raj; Mallikarjuna, Jawali Maharudrappa; Ganesan, Venkitachalam

2013-01-01

Highlights: ► All piston crown show similar flow pattern for experimental and simulated studies. ► Piston position plays a predominant role in the air pattern inside the cylinder. ► The flat bowl piston shows higher TKE compared to all other piston crown shape. ► The turbulence intensity and length scale are higher for flat bowl piston. ► The quantitative error between the CFD and PIV analysis is about 5%. -- Abstract: Air motion inside the cylinder is very important from the point of view of energy efficiency. In this direction, piston configuration plays a very crucial role. This study is concerned with the CFD analysis of in-cylinder air motion coupled with the comparison of predicted results with the experimental results available in the literature. Four configurations viz., flat, inclined, centre bowl and inclined offset bowl pistons have been studied. For numerical analysis STAR-CD CFD software has been used. Experimental results available in the literature for comparison are obtained by PIV measurements. From this study, it is concluded that a centre bowl on flat piston is found to be the best from the point of view of tumble ratio, turbulent kinetic energy, turbulent intensity and turbulent length scale which play very important role in imparting proper air motion, there by increasing the energy efficiency of the engine.

Study of electron-vibrational interaction in 5d states of Ce{sup 3+} ions in the chloroapatite system

Energy Technology Data Exchange (ETDEWEB)

Bhoyar, Priyanka D. [Department of Physics, R.T.M. Nagpur University, Nagpur, 440033 (India); Brik, M.G., E-mail: brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing, 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu, 50411 (Estonia); Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, 02-668, Warsaw (Poland); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200, Czestochowa (Poland); Dhoble, S.J., E-mail: sjdhoble@rediffmail.com [Department of Physics, R.T.M. Nagpur University, Nagpur, 440033 (India)

2016-08-15

Electron-vibrational interaction (EVI) in interconfigurational 5d-4f transition of Ce{sup 3+}-doped alkaline-earth chlorophosphates, also known as apatites, is studied for the first time in this work. Using the configurational coordinate model, the main EVI parameters such as Huang-Rhys factor, effective phonon energy and the zero-phonon line (ZPL) position are determined for all samples studied. Photoluminescence characteristics of these compounds are utilized to estimate EVI parameters. As a reliable test validating the obtained results, the emission band shape of was modeled to yield good agreement with experimental emission spectra. The values of EVI parameters were systematically compared for all studied materials as well as with similar systems with halide ions. - Highlights: • EVI in Ce{sup 3+}-doped alkaline-earth halochlorophosphates is studied for the first time in this work. • The EVI parameters are estimated using the configurational coordinate model. • Estimated EVI parameters are validated by modeling emission spectra. • Parameters are systematically compared.

Study of MRI in stratified viscous plasma configuration

Science.gov (United States)

Carlevaro, Nakia; Montani, Giovanni; Renzi, Fabrizio

2017-02-01

We analyze the morphology of the magneto-rotational instability (MRI) for a stratified viscous plasma disk configuration in differential rotation, taking into account the so-called corotation theorem for the background profile. In order to select the intrinsic Alfvénic nature of MRI, we deal with an incompressible plasma and we adopt a formulation of the local perturbation analysis based on the use of the magnetic flux function as a dynamical variable. Our study outlines, as consequence of the corotation condition, a marked asymmetry of the MRI with respect to the equatorial plane, particularly evident in a complete damping of the instability over a positive critical height on the equatorial plane. We also emphasize how such a feature is already present (although less pronounced) even in the ideal case, restoring a dependence of the MRI on the stratified morphology of the gravitational field.

Supporting Tablet Configuration, Tracking, and Infection Control Practices in Digital Health Interventions: Study Protocol.

Science.gov (United States)

Furberg, Robert D; Ortiz, Alexa M; Zulkiewicz, Brittany A; Hudson, Jordan P; Taylor, Olivia M; Lewis, Megan A

2016-06-27

Tablet-based health care interventions have the potential to encourage patient care in a timelier manner, allow physicians convenient access to patient records, and provide an improved method for patient education. However, along with the continued adoption of tablet technologies, there is a concomitant need to develop protocols focusing on the configuration, management, and maintenance of these devices within the health care setting to support the conduct of clinical research. Develop three protocols to support tablet configuration, tablet management, and tablet maintenance. The Configurator software, Tile technology, and current infection control recommendations were employed to develop three distinct protocols for tablet-based digital health interventions. Configurator is a mobile device management software specifically for iPhone operating system (iOS) devices. The capabilities and current applications of Configurator were reviewed and used to develop the protocol to support device configuration. Tile is a tracking tag associated with a free mobile app available for iOS and Android devices. The features associated with Tile were evaluated and used to develop the Tile protocol to support tablet management. Furthermore, current recommendations on preventing health care-related infections were reviewed to develop the infection control protocol to support tablet maintenance. This article provides three protocols: the Configurator protocol, the Tile protocol, and the infection control protocol. These protocols can help to ensure consistent implementation of tablet-based interventions, enhance fidelity when employing tablets for research purposes, and serve as a guide for tablet deployments within clinical settings.

Feasibility study for the preparation of a twin-hole disposal configuration test at the Mont Terri URL - MACH-2. Final report

Energy Technology Data Exchange (ETDEWEB)

Jobmann, M.; Wolf, J.

2009-08-15

The German Federal Government has announced that research and development activities concerning final repositories for high-level waste are to focus on clay formations as host rock in order to investigate alternatives to salt rock which is favoured in the current reference concept. Within the scope of design calculations for a final repository in clay formations, thermohydro-mechanical interaction effects have thus been studied, but only based on numerical calculation. The currently preferred disposal concept is based on the emplacement of heat-generating waste in vertical boreholes with a depth of 50 m maximum. How strongly thermally induced interaction between adjacent emplacement boreholes affects a system of vertical boreholes in claystone has not yet been investigated in-situ. However, these interaction effects need to be considered as in a real repository the emplacement boreholes are drilled successively and, depending on the delivery and necessary cooling-off time of the containers at the interim storage facility, are filled at corresponding intervals. The main goal of the suggested in-situ experiment is to investigate the THM interaction of two adjacent emplacement boreholes that are filled and heated at different times. The project is to be planned and carried out jointly by DBE TECHNOLOGY GmbH and GRS. The Federal Institute for Geosciences and Natural Resources (GBR) has declared its interest in participating. A location for this experiment has been found at the underground research laboratory in Mont Terri, Switzerland, which is located in an Opalinus-clay formation. The project has been presented to the Mont Terri consortium, and a positive vote to carry out the experiment was obtained. The exact location of the experiment has been set within the so-called ''sandy facies'' of the rock lab which is similar to the German part of the Opalinus clay. Since time and costs involved in such a major project cannot be reliably estimated

Multi-configurational explicitly correlated wave functions for the study of confined many electron atoms

International Nuclear Information System (INIS)

Sarsa, A; Buendía, E; Gálvez, F J

2016-01-01

Explicitly correlated wave functions to study confined atoms under impenetrable spherical walls have been obtained. Configuration mixing and a correlation factor are included in the variational ansatz. The behaviors of the ground state and some low-lying excited states of He, Be, B and C atoms with the confinement size are analyzed. Level crossing with confinement is found for some cases. This effect is analyzed in terms of the single particle energy of the occupied orbitals. The multi-configuration parameterized optimized effective potential method is employed with a cut-off factor to account for Dirichlet boundary conditions. The variational Monte Carlo method is used to deal with explicitly correlated wave functions. (paper)

Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory

International Nuclear Information System (INIS)

Zhang, Xing; Herbert, John M.

2014-01-01

We revisit the calculation of analytic derivative couplings for configuration interaction singles (CIS), and derive and implement these couplings for its spin-flip variant for the first time. Our algorithm is closely related to the CIS analytic energy gradient algorithm and should be straightforward to implement in any quantum chemistry code that has CIS analytic energy gradients. The additional cost of evaluating the derivative couplings is small in comparison to the cost of evaluating the gradients for the two electronic states in question. Incorporation of an exchange-correlation term provides an ad hoc extension of this formalism to time-dependent density functional theory within the Tamm-Dancoff approximation, without the need to invoke quadratic response theory or evaluate third derivatives of the exchange-correlation functional. Application to several different conical intersections in ethylene demonstrates that minimum-energy crossing points along conical seams can be located at substantially reduced cost when analytic derivative couplings are employed, as compared to use of a branching-plane updating algorithm that does not require these couplings. Application to H 3 near its D 3h geometry demonstrates that correct topology is obtained in the vicinity of a conical intersection involving a degenerate ground state

Effects of landscape composition and configuration on pollination in a native herb : a field experiment

OpenAIRE

Ekroos, Johan; Jakobsson, Anna; Wideen, Joel; Herbertsson, Lina; Rundlof, Maj; Smith, Henrik G.

2015-01-01

Bumble bee abundance in agricultural landscapes is known to decrease with increasing distance from seminatural grasslands, but whether the pollination of bumble-bee-pollinated wild plants shows a similar pattern is less well known. In addition, the relative effects of landscape composition (landscape heterogeneity) and landscape configuration (distance from seminatural grassland) on wild plant pollination, and the interaction between these landscape effects, have not been studied using landsc...

Face configuration affects speech perception: Evidence from a McGurk mismatch negativity study

DEFF Research Database (Denmark)

Eskelund, Kasper; MacDonald, Ewen; Andersen, Tobias

2015-01-01

We perceive identity, expression and speech from faces. While perception of identity and expression depends crucially on the configuration of facial features it is less clear whether this holds for visual speech perception. Facial configuration is poorly perceived for upside-down faces as demonst...

Numerical study of canister filters with alternatives filter cap configurations

Science.gov (United States)

Mohammed, A. N.; Daud, A. R.; Abdullah, K.; Seri, S. M.; Razali, M. A.; Hushim, M. F.; Khalid, A.

2017-09-01

Air filtration system and filter play an important role in getting a good quality air into turbo machinery such as gas turbine. The filtration system and filter has improved the quality of air and protect the gas turbine part from contaminants which could bring damage. During separation of contaminants from the air, pressure drop cannot be avoided but it can be minimized thus helps to reduce the intake losses of the engine [1]. This study is focused on the configuration of the filter in order to obtain the minimal pressure drop along the filter. The configuration used is the basic filter geometry provided by Salutary Avenue Manufacturing Sdn Bhd. and two modified canister filter cap which is designed based on the basic filter model. The geometries of the filter are generated by using SOLIDWORKS software and Computational Fluid Dynamics (CFD) software is used to analyse and simulates the flow through the filter. In this study, the parameters of the inlet velocity are 0.032 m/s, 0.063 m/s, 0.094 m/s and 0.126 m/s. The total pressure drop produce by basic, modified filter 1 and 2 is 292.3 Pa, 251.11 Pa and 274.7 Pa. The pressure drop reduction for the modified filter 1 is 41.19 Pa and 14.1% lower compared to basic filter and the pressure drop reduction for modified filter 2 is 17.6 Pa and 6.02% lower compared to the basic filter. The pressure drops for the basic filter are slightly different with the Salutary Avenue filter due to limited data and experiment details. CFD software are very reliable in running a simulation rather than produces the prototypes and conduct the experiment thus reducing overall time and cost in this study.

Semiempirical study of the interacting potentials for H+ + CO and H+ + NO+

International Nuclear Information System (INIS)

Canuto, S.

1983-01-01

Semiempirical INDO molecular orbital calculations of the minimum energy path for the formation of HCO + , HOC + , HNO ++ and HON ++ from the proton reactions H + + CO and H + + NO + are presented. Energy barriers, geometry relaxations and stabilization energies are given. Comparisons with ab initio SCF (Self-Consistent Field) and CI (Configuration Interaction) calculations are performed in order to assess the reliability of the calculations. (Author) [pt

Simulator configuration maintenance

International Nuclear Information System (INIS)

2006-01-01

Requirements and recommendations of this section defines NPP personnel activity aimed to the provision of the simulator configuration compliance with the current configuration of the power-generating unit-prototype, standard and technical requirements and describe a monitoring procedure for a set of simulator software and hardware, training, organizational and technical documents

CONFIGURATION OF CULTURAL NORMS IN TRADITIONAL RICE PLANTING RITUAL DISCOURSE THE TRADITIONAL FARMING COMMUNITY OF BAYAN, NORTH LOMBOK

Directory of Open Access Journals (Sweden)

I Made Netra

2015-01-01

Full Text Available This is the study of traditional rice planting ritual discourse of the traditional farming community of Bayan, North Lombok in an ethno-pragmatic perspective.  It is specifically aimed at describing the cultural norms and their meaning configurations.  The theory used in the study is the cultural scripts developed by Wierzbicka (2002a considering that cultural norms constitute rules and regulations in social interaction practices. They can be investigated from the use of grammatical aspects of language and linguistic routines which are context-bound. They can be configured by paraphrasing in simple and mini language using single space. The results of the study showed that there were some cultural norms found on the traditional rice planting ritual discourse of the traditional farming community of Bayan, North Lombok. They included: (1 asserting thought and hope, (2 respecting other entities, (3 apologizing, (4 promising, and (5 giving advice. The configuration of these cultural norms was in accordance with the understanding of local cultural scripts and wisdom in terms of rituals of the local farming system. The configuration is constructed in low-level script with components of “when” and “if”. It contains the aspects of thinking, speaking, and doing. It is derived from the semantic primes of both evaluation and perception.

Aspects of manual wheelchair configuration affecting mobility: a review.

Science.gov (United States)

Medola, Fausto Orsi; Elui, Valeria Meirelles Carril; Santana, Carla da Silva; Fortulan, Carlos Alberto

2014-02-01

Many aspects relating to equipment configuration affect users' actions in a manual wheelchair, determining the overall mobility performance. Since the equipment components and configuration determine both stability and mobility efficiency, configuring the wheelchair with the most appropriate set-up for individual users' needs is a difficult task. Several studies have shown the importance of seat/backrest assembly and the relative position of the rear wheels to the user in terms of the kinetics and kinematics of manual propulsion. More recently, new studies have brought to light evidence on the inertial properties of different wheelchair configurations. Further new studies have highlighted the handrim as a key component of wheelchair assembly, since it is the interface through which the user drives the chair. In light of the new evidence on wheelchair mechanics and propulsion kinetics and kinematics, this article presents a review of the most important aspects of wheelchair configuration that affect the users' actions and mobility.

Evaluation of Sensor Configurations for Robotic Surgical Instruments.

Science.gov (United States)

Gómez-de-Gabriel, Jesús M; Harwin, William

2015-10-27

Designing surgical instruments for robotic-assisted minimally-invasive surgery (RAMIS) is challenging due to constraints on the number and type of sensors imposed by considerations such as space or the need for sterilization. A new method for evaluating the usability of virtual teleoperated surgical instruments based on virtual sensors is presented. This method uses virtual prototyping of the surgical instrument with a dual physical interaction, which allows testing of different sensor configurations in a real environment. Moreover, the proposed approach has been applied to the evaluation of prototypes of a two-finger grasper for lump detection by remote pinching. In this example, the usability of a set of five different sensor configurations, with a different number of force sensors, is evaluated in terms of quantitative and qualitative measures in clinical experiments with 23 volunteers. As a result, the smallest number of force sensors needed in the surgical instrument that ensures the usability of the device can be determined. The details of the experimental setup are also included.

Improving motorcycle conspicuity through innovative headlight configurations.

Science.gov (United States)

Ranchet, Maud; Cavallo, Viola; Dang, Nguyen-Thong; Vienne, Fabrice

2016-09-01

Most motorcycle crashes involve another vehicle that violated the motorcycle's right-of-way at an intersection. Two kinds of perceptual failures of other road users are often the cause of such accidents: motorcycle-detection failures and motion-perception errors. The aim of this study is to investigate the effect of different headlight configurations on motorcycle detectability when the motorcycle is in visual competition with cars. Three innovative headlight configurations were tested: (1) standard yellow (central yellow headlight), (2) vertical white (one white light on the motorcyclist's helmet and two white lights on the fork in addition to the central white headlight), and (3) vertical yellow (same configuration as (2) with yellow lights instead of white). These three headlight configurations were evaluated in comparison to the standard configuration (central white headlight) in three environments containing visual distractors formed by car lights: (1) daytime running lights (DRLs), (2) low beams, or (3) DRLs and low beams. Video clips of computer-generated traffic situations were displayed briefly (250ms) to 57 drivers. The results revealed a beneficial effect of standard yellow configuration and the vertical yellow configuration on motorcycle detectability. However, this effect was modulated by the car-DRL environment. Findings and practical recommendations are discussed with regard to possible applications for motorcycles. Copyright © 2016 Elsevier Ltd. All rights reserved.

Liquid-liquid mixing by gas injection in a pool configuration

International Nuclear Information System (INIS)

Corradini, M.L.

1994-02-01

An experimental apparatus was designed and constructed to study the mixing process of two immiscible liquids, in a pool configuration, by bottom gas injection. The apparatus consisted of a vertical pyrex conduit of 15.2 centimeters of internal diameter. To the lower part of the conduit was attached a porous plate through which the gas was injected. The experiments were photographically recorded. The pictures were digitized and a method was developed to quantify the mixing region thickness. This method requires knowledge of the void fraction, for each liquid, as a function of the superficial gas velocity. Because of this, void fraction was measured for the bubbly and churn flow regimes, in a pool configuration for every liquid. A new correlation, based on the drift flux model, is proposed for void fraction as a function of superficial gas velocity. It has been observed that mixing can start either in bubbly or churn flow regimes, depending on the liquid pair properties. Three mechanistic models were derived to aid in correlating the data, two for bubbly flow and one for churn flow. A transition region between these two flow regimes, was deduced, but not directly measured. A set of correlations was developed from the models and it is proposed to be implemented in current codes that model Molten Core Concrete Interactions (MCCI). The implications that the present work has on MCCI have been described. It can be deduced that mixing between the oxidic and the metallic phases will occur during the interaction

Fuel-coolant interactions in a shock-tube geometry

International Nuclear Information System (INIS)

Segev, A.; Henry, R.E.; Bankoff, S.G.

1978-01-01

Thermal interactions were studied in a shock tube configuration using different pairs of liquids. Large pressures were obtained for systems of water-Wood's metal and butanol-Wood's metal. Different types of interactions were observed, depending on the hot liquid temperature. It was found that thehydrodynamic component alone may account for the measured pressure in the lower temperature range. A combination of thermal and hydrodynamic interactions accounts for the pressures at high temperatures. Experiments with water and molten salt (LiCl + KCl) produced small scale explosions. All interactions were suppressed when driving pressure increased. (author)

Spectroscopy of heavy nuclei by configuration mixing of symmetry restored mean-field states: shape coexistence in neutron-deficient Pb isotopes

International Nuclear Information System (INIS)

Bender, M.; Heenen, P.H.; Bonche, P.; Duguet, T.

2003-01-01

We study shape coexistence and low-energy excitation spectra in neutron-deficient Pb isotopes using configuration mixing of angular-momentum and particle-number projected self-consistent mean-field states. The same Skyrme interaction SLy6 is used everywhere in connection with a density-dependent zero-range pairing force. (orig.)

Optimizing the Configuration of Sensor Networks to Detect Intruders.

Energy Technology Data Exchange (ETDEWEB)

Brown, Nathanael J. K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Jones, Katherine A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Nozick, Linda Karen [Cornell Univ., Ithaca, NY (United States); Xu, Ningxiong [Cornell Univ., Ithaca, NY (United States)

2015-03-01

This paper focuses on optimizing the selection and configuration of detection technologies to protect a target of interest. The ability of an intruder to simply reach the target is assumed to be sufficient to consider the security system a failure. To address this problem, we develop a game theoretic model of the strategic interactions between the system owner and a knowledgeable intruder. A decomposition-based exact method is used to solve the resultant model.

Configuration Fuzzing for Software Vulnerability Detection.

Science.gov (United States)

Dai, Huning; Murphy, Christian; Kaiser, Gail

2010-02-15

Many software security vulnerabilities only reveal themselves under certain conditions, i.e., particular configurations of the software together with its particular runtime environment. One approach to detecting these vulnerabilities is fuzz testing, which feeds a range of randomly modified inputs to a software application while monitoring it for failures. However, typical fuzz testing makes no guarantees regarding the syntactic and semantic validity of the input, or of how much of the input space will be explored. To address these problems, in this paper we present a new testing methodology called configuration fuzzing. Configuration fuzzing is a technique whereby the configuration of the running application is randomly modified at certain execution points, in order to check for vulnerabilities that only arise in certain conditions. As the application runs in the deployment environment, this testing technique continuously fuzzes the configuration and checks "security invariants" that, if violated, indicate a vulnerability; however, the fuzzing is performed in a duplicated copy of the original process, so that it does not affect the state of the running application. In addition to discussing the approach and describing a prototype framework for implementation, we also present the results of a case study to demonstrate the approach's efficiency.

Measuring the performance of business model configurations: A field study from the medico tech industry

DEFF Research Database (Denmark)

Thomsen, Peter Poulsen; Nielsen, Christian; Lund, Morten

This study suggests applying the lenses of Activity Systems Theory and Representation Theory in relation to the study of business models. It examines the link between the 71 business model configurations identified by Taran et al. (2016) and performance measures through the mechanisms of value dr...

Field-Reversed Configuration Power Plant Critical-Issue Scoping Study

International Nuclear Information System (INIS)

Santarius, J. F.; Mogahed, E. A.; Emmert, G. A.; Khater, H. Y.; Nguyen, C. N.; Ryzhkov, S. V.; Stubna, M. D.

2000-01-01

A team from the Universities of Wisconsin, Washington, and Illinois performed an engineering scoping study of critical issues for field-reversed configuration (FRC) power plants. The key tasks for this research were (1) systems analysis for deuterium-tritium (D-T) FRC fusion power plants, and (2) conceptual design of the blanket and shield module for an FRC fusion core. For the engineering conceptual design of the fusion core, the project team focused on intermediate-term technology. For example, one decision was to use steele structure. The FRC systems analysis led to a fusion power plant with attractive features including modest size, cylindrical symmetry, good thermal efficiency (52%), relatively easy maintenance, and a high ratio of electric power to fusion core mass, indicating that it would have favorable economics

Field-Reversed Configuration Power Plant Critical-Issue Scoping Study

Energy Technology Data Exchange (ETDEWEB)

Santarius, J. F.; Mogahed, E. A.; Emmert, G. A.; Khater, H. Y.; Nguyen, C. N.; Ryzhkov, S. V.; Stubna, M. D.

2000-03-31

A team from the Universities of Wisconsin, Washington, and Illinois performed an engineering scoping study of critical issues for field-reversed configuration (FRC) power plants. The key tasks for this research were (1) systems analysis for deuterium-tritium (D-T) FRC fusion power plants, and (2) conceptual design of the blanket and shield module for an FRC fusion core. For the engineering conceptual design of the fusion core, the project team focused on intermediate-term technology. For example, one decision was to use steele structure. The FRC systems analysis led to a fusion power plant with attractive features including modest size, cylindrical symmetry, good thermal efficiency (52%), relatively easy maintenance, and a high ratio of electric power to fusion core mass, indicating that it would have favorable economics.

Techno-economic analysis of biofuel production considering logistic configurations.

Science.gov (United States)

Li, Qi; Hu, Guiping

2016-04-01

In the study, a techno-economic analysis method considering logistic configurations is proposed. The economic feasibility of a low temperature biomass gasification pathway and an integrated pathway with fast pyrolysis and bio-oil gasification are evaluated and compared with the proposed method in Iowa. The results show that both pathways are profitable, biomass gasification pathway could achieve an Internal Rate of Return (IRR) of 10.00% by building a single biorefinery and integrated bio-oil gasification pathway could achieve an IRR of 3.32% by applying decentralized supply chain structure. A Monte-Carlo simulation considering interactions among parameters is also proposed and conducted, which indicates that both pathways are at high risk currently. Copyright © 2016 Elsevier Ltd. All rights reserved.

A unix configuration engine

International Nuclear Information System (INIS)

Burgess, M.

1994-06-01

A high level description language is presented for the purpose of automatically configuring large heterogeneous networked unix environments, based on class-oriented abstractions. The configuration engine is portable and easily extensible

Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins.

Science.gov (United States)

Li Manni, Giovanni; Smart, Simon D; Alavi, Ali

2016-03-08

A novel stochastic Complete Active Space Self-Consistent Field (CASSCF) method has been developed and implemented in the Molcas software package. A two-step procedure is used, in which the CAS configuration interaction secular equations are solved stochastically with the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) approach, while orbital rotations are performed using an approximated form of the Super-CI method. This new method does not suffer from the strong combinatorial limitations of standard MCSCF implementations using direct schemes and can handle active spaces well in excess of those accessible to traditional CASSCF approaches. The density matrix formulation of the Super-CI method makes this step independent of the size of the CI expansion, depending exclusively on one- and two-body density matrices with indices restricted to the relatively small number of active orbitals. No sigma vectors need to be stored in memory for the FCIQMC eigensolver--a substantial gain in comparison to implementations using the Davidson method, which require three or more vectors of the size of the CI expansion. Further, no orbital Hessian is computed, circumventing limitations on basis set expansions. Like the parent FCIQMC method, the present technique is scalable on massively parallel architectures. We present in this report the method and its application to the free-base porphyrin, Mg(II) porphyrin, and Fe(II) porphyrin. In the present study, active spaces up to 32 electrons and 29 orbitals in orbital expansions containing up to 916 contracted functions are treated with modest computational resources. Results are quite promising even without accounting for the correlation outside the active space. The systems here presented clearly demonstrate that large CASSCF calculations are possible via FCIQMC-CASSCF without limitations on basis set size.

Configuration management theory, practice, and application

CERN Document Server

Quigley, Jon M

2015-01-01

Configuration Management: Theory, Practice, and Application details a comprehensive approach to configuration management from a variety of product development perspectives, including embedded and IT. It provides authoritative advice on how to extend products for a variety of markets due to configuration options. The book also describes the importance of configuration management to other parts of the organization. It supplies an overview of configuration management and its process elements to provide readers with a contextual understanding of the theory, practice, and application of CM. Explaining what a configuration item is and what it implies, the book illustrates the interplay of configuration and data management with all enterprise resources during each phase of a product lifecycle. It also demonstrates the interrelationship of CM to functional resources. Shedding light on current practice, the book describes CM baselines, configuration identification, management baseline changes, and acceptance criteria ...

Feedback control of plasma configuration in JT-60

International Nuclear Information System (INIS)

Ninomiya, Hiromasa; Kikuchi, Mitsuru; Yoshino, Ryuji; Hosogane, Nobuyuki; Kimura, Toyoaki; Kurihara, Kenichi; Takahashi, Minoru; Hayashi, Kazuo.

1986-08-01

Plasma current, plasma position (center of the outermost magnetic surface), decay index n index and width of the divertor throat are feedback controlled by using 5 kinds of poloidal field coils in JT-60. 5 control commands are calculated in a feedback control computer in each 1 msec. These feedback control functions are checked in ohmically heated plasma. The control characteristics of the plasma are well understood by the simplified control analysis and are consistent with the precise matrix transfer function analysis in the frequency domain and the simulation analysis which include the effects of eddy currents, delay time elements and mutual interactions between controllers. The usefulness of these analyses is experimentally confirmed. Each controlled variable is well feedback controlled to the command and the experimentally realized equilibrium configuration is checked by the well calibrated magnetic probes. Fast boundary identification code is used for the identification of the equilibrium and results are consistent with the precalculated plasma equilibria. By using this feedback control system of the plasma configuration and the equilibrium identification method, we have obtained the stable limiter and divertor configuration. The maximum parameters obtained during OH(I) experimental period are plasma current I p = 1.8 MA, the effective safety factor q eff e = 5.7 x 10 19 m -3 (Murakami parameter of 4.5) and the pulse length of 5 ∼ 10 sec. (author)

Time-dependent configurations in the perturbative formalism of string theory; Configurations dependantes du temps dans le formalisme perturbatif de la theorie des cordes

Energy Technology Data Exchange (ETDEWEB)

Durin, B

2006-01-15

In this thesis three time-dependent configurations are studied in the formalism of first-quantized string. These configurations are interesting because perturbative computation of correlation functions is possible and thus is a tool to understand the interplay between the time-dependent geometry and the quantified string. In a first chapter, we explain the reasons for studying these configurations. Then in the second chapter we describe the perturbative formalism and explain how to solve technical problem we encountered. The third chapter is devoted to the physical description of the phenomena involved in these configurations, to the specific computations we made and to the insights we gained. Eventually, we conclude and give some perspectives. (author)

Discharge breakdown in the EXTRAP configuration

International Nuclear Information System (INIS)

Drake, J.R.

1982-02-01

The breakdown of a discharge in a linear EXTRAP configuration has been studied experimentally. In this configuration the breakdown occurs along the zero B-field line, which is the axis of the linear octupole magnetic field, between the anode and cathode which constitute the ends of the linear device. Breakdown could be described by a modified Townsend criterion which included additional electron losses due to the presence of the B-field transverse to the discharge. (author)

The impact of product configurators on lead times in engineering-oriented companies

DEFF Research Database (Denmark)

Haug, Anders; Hvam, Lars; Mortensen, Niels Henrik

2011-01-01

This paper presents a study of how the use of product configurators affects business processes of engineering-oriented companies. A literature study shows that only a minor part of product configuration research deals with the effects of product configuration, and that the ones that do are mostly...... vague when reporting the effects of configurator projects. Only six cases were identified, which provide estimates of the actual size of lead time reduction achieved from product configurators. To broaden this knowledge, this paper presents the results of a study of 14 companies concerning the impact...

Elemental representation and configural mappings: combining elemental and configural theories of associative learning.

Science.gov (United States)

McLaren, I P L; Forrest, C L; McLaren, R P

2012-09-01

In this article, we present our first attempt at combining an elemental theory designed to model representation development in an associative system (based on McLaren, Kaye, & Mackintosh, 1989) with a configural theory that models associative learning and memory (McLaren, 1993). After considering the possible advantages of such a combination (and some possible pitfalls), we offer a hybrid model that allows both components to produce the phenomena that they are capable of without introducing unwanted interactions. We then successfully apply the model to a range of phenomena, including latent inhibition, perceptual learning, the Espinet effect, and first- and second-order retrospective revaluation. In some cases, we present new data for comparison with our model's predictions. In all cases, the model replicates the pattern observed in our experimental results. We conclude that this line of development is a promising one for arriving at general theories of associative learning and memory.

Example of software configuration management model

International Nuclear Information System (INIS)

Roth, P.

2006-01-01

Software configuration management is the mechanism used to track and control software changes and may include the following actions: A tracking system should be established for any changes made to the existing software configuration. Requirement of the configuration management system are the following: - Backup the different software configuration; - Record the details (the date, the subject, the filenames, the supporting documents, the tests, ...) of the changes introduced in the new configuration; - Document all the differences between the different versions. Configuration management allows simultaneous exploitation of one specific version and development of the next version. Minor correction can be perform in the current exploitation version

Term structure of 4d-electron configurations and calculated spectrum in Sn-isonuclear sequence

International Nuclear Information System (INIS)

Al-Rabban, Moza M.

2006-01-01

Theoretical calculations of term structure are carried out for the ground configurations 4d w , of atomic ions in the Sn isonuclear sequence. Atomic computations are performed to give a detailed account of the transitions in Sn +6 to Sn +13 ions. The spectrum is calculated for the most important excited configurations 4p 5 4d n+1 , 4d n-1 4f 1 , and 4d n-1 5p 1 with respect to the ground configuration 4d n , with n=8-1, respectively. The importance of 4p-4d, 4d-4f, and 4d-5p transitions is stressed, as well as the need for the configuration-interaction CI treatment of the Δn=0 transitions. In the region of importance for extreme ultraviolet (EUV) lithography around 13.4nm, the strongest lines were expected to be 4d n -4p 5 4d n+1 and 4d n -4d n-1 4f 1

Configurational entropy in brane-world models

Energy Technology Data Exchange (ETDEWEB)

Correa, R.A.C. [CCNH, Universidade Federal do ABC, Santo Andre, SP (Brazil); Rocha, Roldao da [CMCC, Universidade Federal do ABC, Santo Andre, SP (Brazil); International School for Advanced Studies (SISSA), Trieste (Italy)

2015-11-15

In this work we investigate the entropic information on thick brane-world scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model and hence the brane-world entropic information measure is shown to be an accurate way for providing the most suitable range for the bulk AdS curvature, in particular from the informational content of physical solutions. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the configuration of the system, for large values of a parameter of the sine-Gordon model but the one related to the AdS curvature. The Gleiser and Stamatopoulos procedure is finally applied in order to achieve a precise correlation between the energy of the system and the brane-world configurational entropy. (orig.)

Configurational entropy in brane-world models

Energy Technology Data Exchange (ETDEWEB)

Correa, R. A. C., E-mail: fis04132@gmail.com [CCNH, Universidade Federal do ABC, 09210-580, Santo André, SP (Brazil); Rocha, Roldão da, E-mail: roldao.rocha@ufabc.edu.br [CMCC, Universidade Federal do ABC, 09210-580, Santo André, SP (Brazil); International School for Advanced Studies (SISSA), Via Bonomea 265, 34136, Trieste (Italy)

2015-11-02

In this work we investigate the entropic information on thick brane-world scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model and hence the brane-world entropic information measure is shown to be an accurate way for providing the most suitable range for the bulk AdS curvature, in particular from the informational content of physical solutions. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the configuration of the system, for large values of a parameter of the sine-Gordon model but the one related to the AdS curvature. The Gleiser and Stamatopoulos procedure is finally applied in order to achieve a precise correlation between the energy of the system and the brane-world configurational entropy.

Configurational entropy in brane-world models

International Nuclear Information System (INIS)

Correa, R. A. C.; Rocha, Roldão da

2015-01-01

In this work we investigate the entropic information on thick brane-world scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model and hence the brane-world entropic information measure is shown to be an accurate way for providing the most suitable range for the bulk AdS curvature, in particular from the informational content of physical solutions. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the configuration of the system, for large values of a parameter of the sine-Gordon model but the one related to the AdS curvature. The Gleiser and Stamatopoulos procedure is finally applied in order to achieve a precise correlation between the energy of the system and the brane-world configurational entropy

Feasibility study of a dual detector configuration concept for simultaneous megavoltage imaging and dose verification in radiotherapy

International Nuclear Information System (INIS)

Deshpande, Shrikant; McNamara, Aimee L.; Holloway, Lois; Metcalfe, Peter; Vial, Philip

2015-01-01

IMRT test patterns and clinical IMRT beams had gamma pass rates of ≥98% at 2%/2 mm criteria. In terms of imaging performance, the measured CNR and spatial resolution (f 50 ) were 263.23 ± 24.85 and 0.4025 ± 1.25 × 10 −3 for dual detector configuration and 324 ± 26.65 and 0.4141 ± 1.14 × 10 −3 for reference imaging configuration, respectively. The CNR and spatial resolution were quantitatively worse in the dual detector configuration due to the additional backscatter. The difference in imaging performance was not visible in qualitative assessment of phantom images. Conclusions: Combining a commercially available ICA dosimetry device with a conventional EPID did not significantly detract from the performance of either device. Further improvements in imaging performance may be achieved with an optimized design. This study demonstrates the feasibility of a dual detector concept for simultaneous imaging and dosimetry in radiation therapy

A numerical investigation of the functionality of coronary bifurcation lesions with respect to lesion configuration and stenosis severity.

Science.gov (United States)

Pagiatakis, Catherine; Tardif, Jean-Claude; L'Allier, Philippe L; Mongrain, Rosaire

2015-09-18

The intervention of coronary bifurcation lesions is associated with higher rates of peri- and post-procedural clinical events compared to the treatment of isolated lesions. Overall, the factors that influence the dynamics of these types of configurations are still not well understood. A geometric multiscale model, consisting of a 3D representation of the left main coronary artery bifurcation and a 0D representation of the rest of the cardiovascular system, was developed. Computational fluid dynamics simulations of the 3D domain were executed by implementing the multiscale algorithm, in order to characterize the functionality of different multilesional configurations as a function of stenosis severity. The investigation found that coronary branch steal has a significant impact on the functionality of the disease and can render a two-lesion configuration more severe compared to a three-lesion configuration. As a result of the complexity of this phenomenon, it was also suggested that certain lesion configurations could result in false negatives in diagnosis when employing a pullback pressure recording across the tandem lesions. In conclusion, this study showed that coronary bifurcation lesions are subject to intricate haemodynamic interactions which render the characterization of their functionality complex and could have significant clinical implications with regards to their diagnosis and prognosis. Copyright © 2015 Elsevier Ltd. All rights reserved.

The configuration of residential area in urban structure of the palace in Siak Sri Indrapura - Riau

Science.gov (United States)

Rijal, Muhammad

2018-05-01

This article is part of major research in describing the configuration of waterfront residential area in urban space structure of the palace and related to the Malay Kingdom in the waterside of the Strait of Malacca. This research aimed to identify the configuration of riverfront residential area in Siak Sri Indrapura City based on physical and non-physical aspects. The method used in this research was qualitative rationalistic referring to the components of urban design theory. The results of the research showed that the spatial configuration in Siak Sri Indrapura City is linear and related to the past events and socio-cultural and socio-economic interaction of the society.

CFD Study of Industrial FCC Risers: The Effect of Outlet Configurations on Hydrodynamics and Reactions

Directory of Open Access Journals (Sweden)

Gabriela C. Lopes

2012-01-01

Full Text Available Fluid catalytic cracking (FCC riser reactors have complex hydrodynamics, which depend not only on operating conditions, feedstock quality, and catalyst particles characteristics, but also on the geometric configurations of the reactor. This paper presents a numerical study of the influence of different riser outlet designs on the dynamic of the flow and reactor efficiency. A three-dimensional, three-phase flow model and a four-lump kinetic scheme were used to predict the performance of the reactor. The phenomenon of vaporization of the liquid oil droplets was also analyzed. Results showed that small changes in the outlet configuration had a significant effect on the flow patterns and consequently, on the reaction yields.

Six-quark configurations in the NN system correlated with experiment

International Nuclear Information System (INIS)

Gorovoy, V.S.; Obukhovskij, I.T.

1996-01-01

The nucleon-nucleon interaction at short range is analyzed in terms of six-quark configuration. It is shown that in low partial waves L = 0, 1 system has a two-channel character: the N N channel and the inner six-quark state (bag) with specific color-spin structure. It is shown that polarization observables could be a good tool for investigation of a quark structure of the deuteron [ru

New superconducting coil configuration for energy storage

International Nuclear Information System (INIS)

Tokorabet, M.; Mailfert, A.; Colteu, A.

1998-01-01

Energy storage using superconducting coils involves the problem of electromagnetic field pollution outside the considered system. Different configurations are widely studied: the torus, the alone solenoid and multiple parallel solenoids enclosed in one container. A new configuration which minimizes the external pollution is studied in this paper. The theoretical system is composed of two spherical distributions of the current which are concentric. The analytical study uses solution of Laplace equations. Parametric study covers energy, flux density and geometrical data. The second study concerns the numerical approach of this design using coaxial solenoids. A comparison between this new system and the known systems is presented as a conclusion. (orig.)

Experimental studies of tearing mode and resistive wall mode dynamics in the reversed field pinch configuration

International Nuclear Information System (INIS)

Malmberg, Jenny-Ann

2003-06-01

It is relatively straightforward to establish equilibrium in magnetically confined plasmas, but the plasma is frequently susceptible to a variety of instabilities that are driven by the free energy in the magnetic field or in the pressure gradient. These unstable modes exhibit effects that affect the particle, momentum and heat confinement properties of the configuration. Studies of the dynamics of several of the most important modes are the subject of this thesis. The studies are carried out on plasmas in the reversed field pinch (RFP) configuration. One phenomenon commonly observed in RFPs is mode wall locking. The localized nature of these phase- and wall locked structures results in localized power loads on the wall which are detrimental for confinement. A detailed study of the wall locked mode phenomenon is performed based on magnetic measurements from three RFP devices. The two possible mechanisms for wall locking are investigated. Locking as a result of tearing modes interacting with a static field error and locking due to the presence of a non-ideal boundary. The characteristics of the wall locked mode are qualitatively similar in a device with a conducting shell system (TPE-RX) compared to a device with a resistive shell (Extrap T2). A theoretical model is used for evaluating the threshold values for wall locking due to eddy currents in the vacuum vessel in these devices. A good correlation with experiment is observed for the conducting shell device. The possibility of successfully sustaining discharges in a resistive shell RFP is introduced in the recently rebuilt device Extrap T2R. Fast spontaneous mode rotation is observed, resulting in low magnetic fluctuations, low loop voltage and improved confinement. Wall locking is rarely observed. The low tearing mode amplitudes allow for the theoretically predicted internal non-resonant on-axis resistive wall modes to be observed. These modes have not previously been distinguished due to the formation of wall

Final report for the field-reversed configuration power plant critical-issue scoping study

Energy Technology Data Exchange (ETDEWEB)

Santarius, John F.; Mogahed, Elsayed A.; Emmert, Gilbert A.; Khater, Hesham Y.; Nguyen, Canh N.; Ryzhkov, Sergei V.; Stubna, Michael D.; Steinhauer, Loren C.; Miley, George H.

2001-03-01

This report describes research in which a team from the Universities of Wisconsin, Washington, and Illinois performed a scoping study of critical issues for field-reversed configuration (FRC) power plants. The key tasks for this research were (1) systems analysis of deuterium-tritium (D-T) FRC fusion power plants, and (2) conceptual design of the blanket and shield module for an FRC fusion core.

Creeping gaseous flows through elastic tube and annulus micro-configurations

Science.gov (United States)

Elbaz, Shai; Jacob, Hila; Gat, Amir

2016-11-01

Gaseous flows in elastic micro-configurations is relevant to biological systems (e.g. alveolar ducts in the lungs) as well as to applications such as gas actuated soft micro-robots. We here examine the effect of low-Mach-number compressibility on creeping gaseous axial flows through linearly elastic tube and annulus micro-configurations. For steady flows, the leading-order effects of elasticity on the pressure distribution and mass-flux are obtained. For transient flow in a tube with small deformations, elastic effects are shown to be negligible in leading order due to compressibility. We then examine transient flows in annular configurations where the deformation is significant compared with the gap between the inner and outer cylinders defining the annulus. Both compressibility and elasticity are obtained as dominant terms interacting with viscosity. For a sudden flux impulse, the governing non-linear leading order diffusion equation is initially approximated by a porous-medium-equation of order 2.5 for the pressure square. However, as the fluid expand and the pressure decreases, the governing equation degenerates to a porous-medium-equation of order 2 for the pressure.

Computational study of the influence of mirror parameters on FRC (field-reversed configuration) equilibria:

International Nuclear Information System (INIS)

Fuentes, N.O.; Sakanaka, P.H.

1990-01-01

Field-reversed configuration equilibria are studied by solving the Grad-Shafranov equation. A multiple coil system (main coil and end mirrors) is considered to simulate the coil geometry of CNEA device. First results are presented for computed two-dimensional FRC equilibria produced varying the mirror coil current with two different mirror lenghts. (Author)

Study of impurity-defect interaction by perturbed angular correlations: 111Cd in silver

International Nuclear Information System (INIS)

Sage, Francoise.

1975-01-01

The quadrupole interaction of 111 Cd nuclei following the decay of 111 In implanted by the 109 Ag(α,2n) 111 In reaction into a cubic Ag lattice was measured using the time-differential perturbed-angular correlation technique. A non vanishing quadrupole interaction corresponding to a distribution of electric field gradients was observed, due to the interaction between the 111 Cd impurity and the defects created during the recoil of 111 In nuclei. For low temperature (77 K) irradiations, it has been shown that i) the angular correlation pattern depends on the intensity of α beam current, due to the interaction between defect cascades at high α beam intensity; and ii) it also depends on the annealing of the irradiated sample at different temperatures; the change in the defect configuration around the impurities is then due to the mobility of the various defects [fr

Effects of 2p-2h configurations on low-energy dipole states in neutron-rich N=80, 82 and 84 isotones

Directory of Open Access Journals (Sweden)

Arsenyev N. N.

2016-01-01

Full Text Available Starting from the Skyrme interaction SLy4 we study the effects of phonon-phonon coupling on the low-energy electric dipole response in 130−134Sn, 132−136Te and 134−138Xe. Our calculations are performed within the finite-rank separable approximation, which enables one to perform quasiparticle random phase approximation calculations in very large two-quasiparticle configuration spaces. A dependence of the pygmy dipole resonance strengths on the neutron skin thickness is found. The inclusion of the two-phonon configurations gives a considerable contribution to the low-lying strength.

Non-disruptive MHD dynamics in inward-shifted LHD configurations

International Nuclear Information System (INIS)

Miura, H.; Ichiguchi, K.; Nakajima, N.; Hayashi, T.; Carreras, B.A.

2005-01-01

Two kinds of nonlinear simulations are conducted to study behaviors of the pressure-driven modes in the Large Helical Device (LHD) plasma with the vacuum magnetic axis located at R ax =3.6 m (so called inward-shifted configuration). One is the three-field reduced magnetohydrodynamic (RMHD) simulations. The other is the direct numerical simulations (DNS) of fully three-dimensional (3D) compressible MHD equations. The RMHD results suggest that the plasma behavior depends on the strength of the interaction between the unstable modes with different helicity. Similar plasma behaviors are also obtained in the DNS. In addition to some basic coincidence between RMHD and DNS, substantial toroidal flow generation is observed in the DNS. It is shown that toroidal flow can become stronger than the poloidal flow. (author)

Non-disruptive MHD dynamics in inward-shifted LHD configurations

International Nuclear Information System (INIS)

Miura, H.; Ichiguchi, K.; Nakajima, N.; Hayashi, T.; Carreras, B.A.

2005-01-01

Two kinds of nonlinear simulations are conducted to study behaviors of the pressure-driven modes in the Large Helical Device (LHD) plasma with the vacuum magnetic axis located at R ax = 3.6m (so called inward-shifted configuration). One is the three-field reduced magnetohydrodynamic (RMHD) simulations. The other is the direct numerical simulations (DNS) of fully three-dimensional (3D) compressible MHD equations. The RMHD results suggest that the plasma behavior depends on the strength of the interaction between the unstable modes with different helicity. Similar plasma behaviors are also obtained in the DNS. In addition to some basic coincidence between RMHD and DNS, substantial toroidal flow generation is observed in the DNS. It is shown that toroidal flow can become stronger than the poloidal flow. (author)

Knowledge Based Product Configuration - a documentatio tool for configuration projects

DEFF Research Database (Denmark)

Hvam, Lars; Malis, Martin

2003-01-01

. A lot of knowledge isput into these systems and many domain experts are involved. This calls for an effective documentation system in order to structure this knowledge in a way that fits to the systems. Standard configuration systems do not support this kind of documentation. The chapter deals...... with the development of a Lotus Notes application that serves as a knowledge based documentation tool for configuration projects. A prototype has been developed and tested empirically in an industrial case-company. It has proved to be a succes....

Viscous Design of TCA Configuration

Science.gov (United States)

Krist, Steven E.; Bauer, Steven X. S.; Campbell, Richard L.

1999-01-01

The goal in this effort is to redesign the baseline TCA configuration for improved performance at both supersonic and transonic cruise. Viscous analyses are conducted with OVERFLOW, a Navier-Stokes code for overset grids, using PEGSUS to compute the interpolations between overset grids. Viscous designs are conducted with OVERDISC, a script which couples OVERFLOW with the Constrained Direct Iterative Surface Curvature (CDISC) inverse design method. The successful execution of any computational fluid dynamics (CFD) based aerodynamic design method for complex configurations requires an efficient method for regenerating the computational grids to account for modifications to the configuration shape. The first section of this presentation deals with the automated regridding procedure used to generate overset grids for the fuselage/wing/diverter/nacelle configurations analysed in this effort. The second section outlines the procedures utilized to conduct OVERDISC inverse designs. The third section briefly covers the work conducted by Dick Campbell, in which a dual-point design at Mach 2.4 and 0.9 was attempted using OVERDISC; the initial configuration from which this design effort was started is an early version of the optimized shape for the TCA configuration developed by the Boeing Commercial Airplane Group (BCAG), which eventually evolved into the NCV design. The final section presents results from application of the Natural Flow Wing design philosophy to the TCA configuration.

Evaluation of Sensor Configurations for Robotic Surgical Instruments

Directory of Open Access Journals (Sweden)

Jesús M. Gómez-de-Gabriel

2015-10-01

Full Text Available Designing surgical instruments for robotic-assisted minimally-invasive surgery (RAMIS is challenging due to constraints on the number and type of sensors imposed by considerations such as space or the need for sterilization. A new method for evaluating the usability of virtual teleoperated surgical instruments based on virtual sensors is presented. This method uses virtual prototyping of the surgical instrument with a dual physical interaction, which allows testing of different sensor configurations in a real environment. Moreover, the proposed approach has been applied to the evaluation of prototypes of a two-finger grasper for lump detection by remote pinching. In this example, the usability of a set of five different sensor configurations, with a different number of force sensors, is evaluated in terms of quantitative and qualitative measures in clinical experiments with 23 volunteers. As a result, the smallest number of force sensors needed in the surgical instrument that ensures the usability of the device can be determined. The details of the experimental setup are also included.

Evaluation of Sensor Configurations for Robotic Surgical Instruments

Science.gov (United States)

Gómez-de-Gabriel, Jesús M.; Harwin, William

2015-01-01

Designing surgical instruments for robotic-assisted minimally-invasive surgery (RAMIS) is challenging due to constraints on the number and type of sensors imposed by considerations such as space or the need for sterilization. A new method for evaluating the usability of virtual teleoperated surgical instruments based on virtual sensors is presented. This method uses virtual prototyping of the surgical instrument with a dual physical interaction, which allows testing of different sensor configurations in a real environment. Moreover, the proposed approach has been applied to the evaluation of prototypes of a two-finger grasper for lump detection by remote pinching. In this example, the usability of a set of five different sensor configurations, with a different number of force sensors, is evaluated in terms of quantitative and qualitative measures in clinical experiments with 23 volunteers. As a result, the smallest number of force sensors needed in the surgical instrument that ensures the usability of the device can be determined. The details of the experimental setup are also included. PMID:26516863

Pairing interaction method in crystal field theory

International Nuclear Information System (INIS)

Dushin, R.B.

1989-01-01

Expressions, permitting to describe matrix elements of secular equation for metal-ligand pairs via parameters of the method of pairing interactions, genealogical coefficients and Clebsch-Gordan coefficients, are given. The expressions are applicable to any level or term of f n and d n configurations matrix elements for the terms of the maximum multiplicity of f n and d n configurations and also for the main levels of f n configurations are tabulated

Device configuration-management system

International Nuclear Information System (INIS)

Nowell, D.M.

1981-01-01

The Fusion Chamber System, a major component of the Magnetic Fusion Test Facility, contains several hundred devices which report status to the Supervisory Control and Diagnostic System for control and monitoring purposes. To manage the large number of diversity of devices represented, a device configuration management system was required and developed. Key components of this software tool include the MFTF Data Base; a configuration editor; and a tree structure defining the relationships between the subsystem devices. This paper will describe how the configuration system easily accomodates recognizing new devices, restructuring existing devices, and modifying device profile information

Effects of landscape composition and configuration on pollination in a native herb: a field experiment.

Science.gov (United States)

Ekroos, Johan; Jakobsson, Anna; Wideen, Joel; Herbertsson, Lina; Rundlöf, Maj; Smith, Henrik G

2015-10-01

Bumble bee abundance in agricultural landscapes is known to decrease with increasing distance from seminatural grasslands, but whether the pollination of bumble-bee-pollinated wild plants shows a similar pattern is less well known. In addition, the relative effects of landscape composition (landscape heterogeneity) and landscape configuration (distance from seminatural grassland) on wild plant pollination, and the interaction between these landscape effects, have not been studied using landscape-level replication. We performed a field experiment to disentangle these landscape effects on the pollination of a native herb, the sticky catchfly (Lychnis viscaria), while accounting for the proportion of oilseed rape across landscapes and the local abundance of bee forage flowers. We measured pollen limitation (the degree to which seed set is pollen-limited), seed set, and seed set stability using potted plants placed in landscapes that differed in heterogeneity (composition) and distance from seminatural grassland (configuration). Pollen limitation and seed set in individual plants did not respond to landscape composition, landscape configuration, or proportion of oilseed rape. Instead, seed set increased with increasing local bee forage flower cover. However, we found within-plant variability in pollen limitation and seed set to increase with increasing distance from seminatural pasture. Our results suggest that average within-plant levels of pollen limitation and seed set respond less swiftly than the within-plant variability in pollen limitation and seed set to changes in landscape configuration. Although landscape effects on pollination were less important than predicted, we conclude that landscape configuration and local habitat characteristics play larger roles than landscape composition in the pollination of L. viscaria.

Tank waste remediation system configuration management plan

International Nuclear Information System (INIS)

Vann, J.M.

1998-01-01

The configuration management program for the Tank Waste Remediation System (TWRS) Project Mission supports management of the project baseline by providing the mechanisms to identify, document, and control the functional and physical characteristics of the products. This document is one of the tools used to develop and control the mission and work. It is an integrated approach for control of technical, cost, schedule, and administrative information necessary to manage the configurations for the TWRS Project Mission. Configuration management focuses on five principal activities: configuration management system management, configuration identification, configuration status accounting, change control, and configuration management assessments. TWRS Project personnel must execute work in a controlled fashion. Work must be performed by verbatim use of authorized and released technical information and documentation. Application of configuration management will be consistently applied across all TWRS Project activities and assessed accordingly. The Project Hanford Management Contract (PHMC) configuration management requirements are prescribed in HNF-MP-013, Configuration Management Plan (FDH 1997a). This TWRS Configuration Management Plan (CMP) implements those requirements and supersedes the Tank Waste Remediation System Configuration Management Program Plan described in Vann, 1996. HNF-SD-WM-CM-014, Tank Waste Remediation System Configuration Management Implementation Plan (Vann, 1997) will be revised to implement the requirements of this plan. This plan provides the responsibilities, actions and tools necessary to implement the requirements as defined in the above referenced documents

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

Science.gov (United States)

Yungster, Shaye

1991-01-01

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Hydrogen bonding interaction of small acetaldehyde clusters studied with core-electron excitation spectroscopy in the oxygen K-edge region

Science.gov (United States)

Tabayashi, K.; Chohda, M.; Yamanaka, T.; Tsutsumi, Y.; Takahashi, O.; Yoshida, H.; Taniguchi, M.

2010-06-01

In order to examine inner-shell electron excitation spectra of molecular clusters with strong multipole interactions, excitation spectra and time-of-flight (TOF) fragment-mass spectra of small acetaldehyde (AA) clusters have been studied under the beam conditions. The TOF spectra at the oxygen K-edge region showed an intense growth of the protonated clusters, MnH+ (M=CH3CHO) in the cluster beams. "cluster-specific" excitation spectra could be generated by monitoring partial-ion-yields of the protonated clusters. The most intense band of O1s→π*CO was found to shift to a higher energy by 0.15 eV relative to the monomer band upon clusterization. X-ray absorption spectra (XAS) were also calculated for the representative dimer configurations using a computer modelling program based on the density functional theory. The XAS prediction for the most stable (non-planar) configuration was found to give a close comparison with the cluster-band shift observed. The band shift was interpreted as being due to the HOMO-LUMO interaction within the complex where a contribution of vibrationally blue-shifting hydrogen bonding could be identified.

The main challenges for manufacturing companies in implementing and utilizing configurators

DEFF Research Database (Denmark)

Kristjansdottir, Katrin; Shafiee, Sara; Hvam, Lars

2018-01-01

Companies providing customized products increasingly apply configurators in supporting sales and design activities, thus improving lead-times, quality, cost, benefits perceived by customers, and customer satisfaction. While configurator advantages have been substantially investigated....... Finally, it is investigated whether the importance of the main categories of challenges varies according to a number of potential context variables. The results of the survey, which studies manufacturing companies that use configurators in providing customized products, offer new insights......, the challenges of implementing and utilizing configurators have less often been considered. By reviewing relevant literature, the present study first categorizes the main challenges faced by manufacturing companies when implementing and utilizing configurators. Six main categories of challenges are identified...

CONFU: Configuration Fuzzing Testing Framework for Software Vulnerability Detection.

Science.gov (United States)

Dai, Huning; Murphy, Christian; Kaiser, Gail

2010-01-01

Many software security vulnerabilities only reveal themselves under certain conditions, i.e., particular configurations and inputs together with a certain runtime environment. One approach to detecting these vulnerabilities is fuzz testing. However, typical fuzz testing makes no guarantees regarding the syntactic and semantic validity of the input, or of how much of the input space will be explored. To address these problems, we present a new testing methodology called Configuration Fuzzing. Configuration Fuzzing is a technique whereby the configuration of the running application is mutated at certain execution points, in order to check for vulnerabilities that only arise in certain conditions. As the application runs in the deployment environment, this testing technique continuously fuzzes the configuration and checks "security invariants" that, if violated, indicate a vulnerability. We discuss the approach and introduce a prototype framework called ConFu (CONfiguration FUzzing testing framework) for implementation. We also present the results of case studies that demonstrate the approach's feasibility and evaluate its performance.

The LHCb configuration database

CERN Document Server

Abadie, Lana; Gaspar, Clara; Jacobsson, Richard; Jost, Beat; Neufeld, Niko

2005-01-01

The Experiment Control System (ECS) will handle the monitoring, configuration and operation of all the LHCb experimental equipment. All parameters required to configure electronics equipment under the control of the ECS will reside in a configuration database. The database will contain two kinds of information: 1.\tConfiguration properties about devices such as hardware addresses, geographical location, and operational parameters associated with particular running modes (dynamic properties). 2.\tConnectivity between devices : this consists of describing the output and input connections of a device (static properties). The representation of these data using tables must be complete so that it can provide all the required information to the ECS and must cater for all the subsystems. The design should also guarantee a fast response time, even if a query results in a large volume of data being loaded from the database into the ECS. To fulfil these constraints, we apply the following methodology: Determine from the d...

Configuration management

International Nuclear Information System (INIS)

Beavers, R.R.; Sumiec, K.F.

1989-01-01

Increasing regulatory and industry attention has been focused on properly controlling electrical design changes. These changes can be controlled by using configuration management techniques. Typically, there are ongoing modifications to various process systems or additions due to new requirements at every power plant. Proper control of these changes requires that an organized method be used to ensure that all important parameters of the electrical auxiliary systems are analyzed and that these parameters are evaluated accurately. This process, commonly referred to as configuration management, is becoming more important on both fossil and nuclear plants. Recent NRC- and utility-initiated inspections have identified problems due to incomplete analysis of changes to electrical auxiliary systems at nuclear stations

Parametric studies of target/moderator configurations for the Weapons Neutron Research (WNR) facility

International Nuclear Information System (INIS)

Russell, G.J.; Seeger, P.A.; Fluharty, R.G.

1977-03-01

Parametric studies, using continuous-energy Monte Carlo codes, were done to optimize the neutronics of the Weapons Neutron Research (WNR) target and three possible target/moderator configurations: slab target/slab moderators, cylindrical target/cylindrical moderator, and cylindrical target/double-wing moderators. The energy range was 0.5 eV to 800 MeV. A general figure-of-merit (FOM) approach was used. The WNR facility performance can be doubled or tripled by optimizing the target and target/moderator configurations; this approach is more efficient than increasing the Clinton P. Anderson Meson Physics Facility (LAMPF) accelerator power by an equivalent factor. A bare target should be used for neutron energies above approximately 100 keV. The FOM for the slab target/slab moderator configuration is the best by a factor of at least 2 to 3 below approximately 1 keV. The total neutron leakage from 0.5 eV to 100 keV through a 100- by 100-mm area centered at the peak leakage is largest for the slab moderator, exceeding that of the cylindrical moderator and double-wing moderator by factors of 1.7 and 3.4, respectively. The neutron leakage at 1 eV from one 300- by 150-mm surface of a slab moderator is 1.5 times larger than that from one 155- by 150-mm surface of a cylindrical moderator. When compared with the 1-eV leakage from two 100- by 150-mm surfaces of a double-wing moderator, that from the slab moderator is 3.4 times larger. 107 figures, 13 tables

Aspects of Manual Wheelchair Configuration Affecting Mobility: A Review

OpenAIRE

Medola, Fausto Orsi [UNESP; Elui, Valeria Meirelles Carril; Santana, Carla da Silva; Fortulan, Carlos Alberto

2014-01-01

Many aspects relating to equipment configuration affect users’ actions in a manual wheelchair, determining the overall mobility performance. Since the equipment components and configuration determine both stability and mobility efficiency, configuring the wheelchair with the most appropriate set-up for individual users’ needs is a difficult task. Several studies have shown the importance of seat/backrest assembly and the relative position of the rear wheels to the user in terms of the kinetic...

Increased accuracy of cost-estimation using product configuration systems

DEFF Research Database (Denmark)

Rasmussen, Jeppe Bredahl; Hvam, Lars; Mortensen, Niels Henrik

This article describes an approach for utilizing Product Configuration Systems (PCS) for quantifying project costs in project-based companies. It presents a case study demonstrating a method of quantifying costs in a way that makes it possible to configure cost- and time estimates. Piecework costs......, material costs and sub-supplier costs are used as principle cost elements and linked to structural and process elements to facilitate configuration. The cost data are used by the PCS to generate fast and accurate cost-estimates, quotations, time estimates and cost summaries. The described cost...... quantification principles have been used in a Scandinavian SME (Small and Medium-sized Enterprise) since the 90’s, but have since 2011 been adopted to be used in a configuration system. A longitudinal case study was conducted to compare cost and time-estimation accuracy before and after implementation. We...

Creation and Annihilation of Skyrmions in the Frustrated Magnets with Competing Exchange Interactions.

Science.gov (United States)

Hu, Yong; Chi, Xiaodan; Li, Xuesi; Liu, Yan; Du, An

2017-11-22

In triangular-lattice magnets, the coexistence of third-neighbor antiferromagnetic and nearest-neighbor ferromagnetic exchange interactions can induce rich magnetic phases including noncoplanar skyrmion crystals. Based on Monte Carlo simulation, we studied the dependence of magnetic phase transition on exchange interaction strength. Under the consideration of uniaxial anisotropy and magnetic field both perpendicular to the film plane, a large antiferromagnetic exchange interaction induces a high frustration. When the value of antiferromagnetic exchange interaction is one and a half times larger than the ferromagnetic one, a magnetic phase composed of canting spin stripes, never observed in the chiral magnets, forms. Interestingly, different canting spin stripes along three 120 degree propagation directions may coexist randomly in a magnetic phase, attesting that the canting spin stripes are three-fold degenerate states akin to helices and the multiple state of canting spin stripes is a circular configuration with zero skyrmion charge number. Moreover, skyrmions and antiskyrmions can be observed simultaneously in the configuration at the low temperature nearly close to 0 K, and their configuration and diameter properties are discussed. Finally, the mechanisms of skyrmion creation and annihilation are properly interpreted by comparing exchange and Zeeman energy terms.

Motion-insensitive rapid configuration relaxometry.

Science.gov (United States)

Nguyen, Damien; Bieri, Oliver

2017-08-01

Triple echo steady state (TESS) uses the lowest steady state configuration modes for rapid relaxometry. Due to its unbalanced gradient scheme, however, TESS is inherently motion-sensitive. The purpose of this work is to merge TESS with a balanced acquisition scheme for motion-insensitive rapid configuration relaxometry, termed MIRACLE. The lowest order steady state free precession (SSFP) configurations are retrieved by Fourier transformation of the frequency response of N frequency-shifted balanced SSFP (bSSFP) scans and subsequently processed for relaxometry, as proposed with TESS. Accuracy of MIRACLE is evaluated from simulations, phantom studies as well as in vivo brain and cartilage imaging at 3T. Simulations and phantom results revealed no conceptual flaw, and artifact-free configuration imaging was achieved in vivo. Overall, relaxometry results were accurate in phantoms and in good agreement for cartilage and for T2 in the brain, but apparent low T1 values were observed for brain white matter; reflecting asymmetries in the bSSFP profile. Rapid T1 and T2 mapping with MIRACLE offers analogous properties as TESS while successfully mitigating its motion-sensitivity. As a result of the Fourier transformation, relaxometry becomes sensitive to the voxel frequency distribution, which may contain useful physiologic information, such as structural brain integrity. © 2016 International Society for Magnetic Resonance in Medicine. Magn Reson Med 78:518-526, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Time-dependent configurations in the perturbative formalism of string theory

International Nuclear Information System (INIS)

Durin, B.

2006-01-01

In this thesis three time-dependent configurations are studied in the formalism of first-quantized string. These configurations are interesting because perturbative computation of correlation functions is possible and thus is a tool to understand the interplay between the time-dependent geometry and the quantified string. In a first chapter, we explain the reasons for studying these configurations. Then in the second chapter we describe the perturbative formalism and explain how to solve technical problem we encountered. The third chapter is devoted to the physical description of the phenomena involved in these configurations, to the specific computations we made and to the insights we gained. Eventually, we conclude and give some perspectives. (author)

Influence of changes in the valence electronic configuration on the structure of L-X-ray spectra of molybdenum

International Nuclear Information System (INIS)

Polasik, M; Koziol, K; Slabkowska, K; Czarnota, M; Pajek, M

2009-01-01

Extensive multiconfiguration Dirac-Fock (MCDF) calculations with the inclusion of the transverse (Breit) interaction and QED corrections have been carried out on molybdenum to explain the dependence of the structure of Lα 1,2 and Lβ 1 lines on the changes in configurations of the valence electrons belonging to two different configuration types: three open-shell 4d 6-r 5s r (r = 2,1,0) configurations and one closed-shell 4d 4 3/2 5s 2 configuration. It has been found that the MCDF predictions for open-shell valence configurations (4d 4 5s 2 , 4d 5 5s 1 , 4d 6 5s 0 ) much better reproduce observed structure of Lα 1,2 lines in X-ray spectra of molybdenum than closed-shell 4d 4 3/2 5s 2 valence configuration. The influence of changes in the valence electronic configuration on the structure of L-X-ray spectra of molybdenum is noticeable. Moreover, the observation of the shapes of L-X-ray spectra seems to be very good method to investigate the changes of the valence electronic configuration caused by the chemical environment.

The Family Alliance Model: A Way to Study and Characterize Early Family Interactions

Directory of Open Access Journals (Sweden)

Nicolas Favez

2017-08-01

Full Text Available The aim of this paper is to present the family alliance (FA model, which is designed to conceptualize the relational dynamics in the early family. FA is defined as the coordination a family can reach when fulfilling a task, such as playing a game or having a meal. According to the model, being coordinated as a family depends on four interactive functions: participation (all members are included, organization (members assume differentiated roles, focalization (family shares a common theme of activity, affect sharing (there is empathy between members. The functions are operationalized through the spatiotemporal characteristics of non-verbal interactions: for example, distance between the partners, orientation of their bodies, congruence within body segments, signals of readiness to interact, joint attention, facial expressions. Several standardized observational situations have been designed to assess FA: The Lausanne Trilogue Play (with its different versions, in which mother, father, and baby interact in all possible configurations of a triad, and the PicNic Game for families with several children. Studies in samples of non-referred and referred families (for infant or parental psychopathology have highlighted different types of FA: disorganized, conflicted, and cooperative. The type of FA in a given family is stable through the first years and is predictive of developmental outcomes in children, such as psychofunctional symptoms, understanding of complex emotions, and Theory of Mind development.

Aerodynamic Comparison of Hyper-Elliptic Cambered Span (HECS) Wings with Conventional Configurations

Science.gov (United States)

Lazos, Barry S.; Visser, Kenneth D.

2006-01-01

An experimental study was conducted to examine the aerodynamic and flow field characteristics of hyper-elliptic cambered span (HECS) wings and compare results with more conventional configurations used for induced drag reduction. Previous preliminary studies, indicating improved L/D characteristics when compared to an elliptical planform prompted this more detailed experimental investigation. Balance data were acquired on a series of swept and un-swept HECS wings, a baseline elliptic planform, two winglet designs and a raked tip configuration. Seven-hole probe wake surveys were also conducted downstream of a number of the configurations. Wind tunnel results indicated aerodynamic performance levels of all but one of the HECS wings exceeded that of the other configurations. The flow field data surveys indicate the HECS configurations displaced the tip vortex farther outboard of the wing than the Baseline configuration. Minimum drag was observed on the raked tip configuration and it was noted that the winglet wake lacked the cohesive vortex structure present in the wakes of the other configurations.

Design of a smart textile mat to study pressure distribution on multiple foam material configurations

NARCIS (Netherlands)

Donselaar, van R.; Chen, W.

2011-01-01

In this paper, we present a design of a smart textile pressure mat to study the pressure distribution with multiple foam material configurations for neonatal monitoring at Neonatal Intensive Care Units (NICU). A smart textile mat with 64 pressure sensors has been developed including software at the

Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling.

Directory of Open Access Journals (Sweden)

Kei Moritsugu

2014-10-01

Full Text Available Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape.

How to scope configuration projects and manage the knowledge they require

DEFF Research Database (Denmark)

Shafiee, Sara; Kristjansdottir, Katrin; Hvam, Lars

2018-01-01

Purpose This paper aims to explore the use of the knowledge management (KM) perspective for configuration projects. Configuration projects implement configurators as information technology systems that help companies manage the specification process of customised products. An effective method...... of retrieving and formalising knowledge for configurators is essential, because it can reduce the risk of unsuccessful implementation and the time and effort required for development. Unfortunately, no standard KM frameworks are available specifically for configuration projects. This study identifies...... the knowledge necessary for different phases of a configuration project (which knowledge, for what purpose and from what sources), examines how it is transformed during a configuration project (what KM activities and tools are used) and establishes how the knowledge can be documented for future maintenance...

Transverse confinement of an ion beam in a purely electrostatic configuration

International Nuclear Information System (INIS)

Correa, J.R.; Ordonez, C.A.; Weathers, D.L.

2005-01-01

The transverse confinement of an ion beam in a purely electrostatic configuration is studied. Analytical expressions for the electric potential of three different electrode configurations are found. Each configuration may be described as consisting of many closely spaced Einzel lenses, such that the focusing periodicity length is much smaller than the transverse size of the beam. Classical trajectory computer simulations are used to obtain a map of the phase space co-ordinates for which transverse electrostatic confinement occurs with one of the configurations. The results indicate that confinement should occur for a large range of conditions. It is speculated that the configurations studied can be used for transverse confinement of ion beams in either electrostatic ion traps or electrostatic ion storage rings

Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

KAUST Repository

Wang, Hongtao

2012-01-01

Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. © 2012 The Royal Society of Chemistry.

Effectiveness of pollutants removal in hybrid constructed wetlands – different configurations case study

Directory of Open Access Journals (Sweden)

Gajewska Magdalena

2017-01-01

Full Text Available In recent years, an increase in interest in hybrid constructed wetland systems (HCWs has been observed. The aim of the paper is to compare different HCW configurations in terms of mass removal rates and efficiency of pollutants removal. Analysed data have been collected at multistage constructed wetlands in Poland, which are composed by at least two beds: horizontal subsurface flow (SSHF and vertical subsurface flow (SSVF. The evaluation was focused on hybrid constructed wetlands performance with HF+VF vs. VF+HF configuration, where influent wastewater of the same composition was treated. In analysed HCWs, the effective removal of organic matter from 75.2 to 91.6% COD was confirmed. Efficiency of total nitrogen removal varied from 47.3 to 91.7%. The most effective removal of TN (8.3 g m−2 d−1 occurred in the system with VF+VF+HF configuration.

In-memory interconnect protocol configuration registers

Energy Technology Data Exchange (ETDEWEB)

Cheng, Kevin Y.; Roberts, David A.

2017-09-19

Systems, apparatuses, and methods for moving the interconnect protocol configuration registers into the main memory space of a node. The region of memory used for storing the interconnect protocol configuration registers may also be made cacheable to reduce the latency of accesses to the interconnect protocol configuration registers. Interconnect protocol configuration registers which are used during a startup routine may be prefetched into the host's cache to make the startup routine more efficient. The interconnect protocol configuration registers for various interconnect protocols may include one or more of device capability tables, memory-side statistics (e.g., to support two-level memory data mapping decisions), advanced memory and interconnect features such as repair resources and routing tables, prefetching hints, error correcting code (ECC) bits, lists of device capabilities, set and store base address, capability, device ID, status, configuration, capabilities, and other settings.

In-memory interconnect protocol configuration registers

Science.gov (United States)

Cheng, Kevin Y.; Roberts, David A.

2017-09-19

Systems, apparatuses, and methods for moving the interconnect protocol configuration registers into the main memory space of a node. The region of memory used for storing the interconnect protocol configuration registers may also be made cacheable to reduce the latency of accesses to the interconnect protocol configuration registers. Interconnect protocol configuration registers which are used during a startup routine may be prefetched into the host's cache to make the startup routine more efficient. The interconnect protocol configuration registers for various interconnect protocols may include one or more of device capability tables, memory-side statistics (e.g., to support two-level memory data mapping decisions), advanced memory and interconnect features such as repair resources and routing tables, prefetching hints, error correcting code (ECC) bits, lists of device capabilities, set and store base address, capability, device ID, status, configuration, capabilities, and other settings.

Comparison of Rolling Moment Characteristics During Roll Oscillations for a Low and a High Aspect Ratio Configuration

Science.gov (United States)

Brandon, Jay M.; Foster, John V.; Shah, Gautam H.; Gato, William; Wilborn, James E.

2004-01-01

Improvements in testing and modeling of nonlinear and unsteady aerodynamic effects for flight dynamics predictions of vehicle performance is critical to enable the design and implementation of new, innovative vehicle concepts. Any configuration which exhibits significant flow separation, nonlinear aerodynamics, control interactions or attempts maneuvering through one or more conditions such as these is, at present, a challenge to test, model or predict flight dynamic responses prior to flight. Even in flight test experiments, adequate models are not available to study and characterize the complex nonlinear and time-dependent flow effects occurring during portions of the maneuvering envelope. Traditionally, airplane designs have been conducted to avoid these areas of the flight envelope. Better understanding and characterization of these flight regimes may not only reduce risk and cost of flight test development programs, but also may pave the way for exploitation of those characteristics that increase airplane capabilities. One of the hurdles is that the nonlinear/unsteady effects appear to be configuration dependent. This paper compares some of the dynamic aerodynamic stability characteristics of two very different configurations - representative of a fighter and a transport airplane - during dynamic body-axis roll wind tunnel tests. The fighter model shows significant effects of oscillation frequency which are not as apparent for the transport configuration.

The analysis of the 3d8, 3d74p and 3p53d9 configurations of Se IX

International Nuclear Information System (INIS)

Kleef, T.A.M. van; Uylings, P.; Joshi, Y.N.; Podobedova, L.I.; Ryabtsev, A.N.

1984-01-01

The ninth spectrum of selenium (Se IX) was photographed in the region 100-140 A on a variety of grazing incidence spectrographs using a triggered spark or an open spark as sources. On the basis of these measurements all levels of the 3d 8 configuration, 11 out of 12 levels of the 3p 5 3d 9 configuration and 95 out of 110 levels of the 3d 7 4p configuration have been established. A strong configuration interaction exists between the two odd configurations. Least-squares-fit and Hartree-Fock parameter calculations support the analysis. Two hundred and twenty-five (225) lines have been classified in Se IX. (orig.)

Analysis of three idealized reactor configurations: plate, pin, and homogeneous

International Nuclear Information System (INIS)

McKnight, R.D.

1983-01-01

Detailed Monte Carlo calculations have been performed for three distinct configurations of an idealized fast critical assembly. This idealized assembly was based on the LMFBR benchmark critical assembly ZPR-6/7. In the first configuration, the entire core was loaded with the plate unit cell of ZPR-6/7. In the second configuration, the entire core was loaded with the ZPR sodium-filled pin calandria. The actual ZPR pin calandria are loaded with mixed (U,Pu) oxide pins which closely match the composition of the ZPR-6/7 plate unit cell. For the present study, slight adjustments were made in the atom concentrations and the length of the pin calandria in order to make the core boundaries and average composition for the pin-cell configuration identical to those of the plate-cell configuration. In the third configuration, the core was homogeneous, again with identical core boundaries and average composition as the plate and pin configurations

Configuration Control Office

CERN Multimedia

Beltramello, O

In order to enable Technical Coordination to manage the detector configuration and to be aware of all changes in this configuration, a baseline of the envelopes has been created in April 2001. Fifteen system and multi-system envelope drawings have been approved and baselined. An EDMS file is associated with each approved envelope, which provides a list of the current known unsolved conflicts related to the envelope and a list of remaining drawing inconsistencies to be corrected. The envelope status with the associated drawings and EDMS file can be found on the web at this adress: http://atlasinfo.cern.ch/Atlas/TCOORD/Activities/Installation/Configuration/ Any modification in the baseline has to be requested via the Engineering Change Requests. The procedure can be found under: http://atlasinfo.cern.ch/Atlas/TCOORD/Activities/TcOffice/Quality/ECR/ TC will review all the systems envelopes in the near future and manage conflict resolution with the collaboration of the systems.

A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.

Science.gov (United States)

van Meer, R; Gritsenko, O V; Baerends, E J

2018-03-14

Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH 4 , NH 3 , H 2 O, FH, and N 2 ) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions

Science.gov (United States)

van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

2018-03-01

Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH4, NH3, H2O, FH, and N2) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

PIV Logon Configuration Guidance

Energy Technology Data Exchange (ETDEWEB)

Lee, Glen Alan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-03-04

This document details the configurations and enhancements implemented to support the usage of federal Personal Identity Verification (PIV) Card for logon on unclassified networks. The guidance is a reference implementation of the configurations and enhancements deployed at the Los Alamos National Laboratory (LANL) by Network and Infrastructure Engineering – Core Services (NIE-CS).

Interactive ultrasonic field simulations for complex non-destructive testing configurations

International Nuclear Information System (INIS)

Chouh, Hamza

2016-01-01

In order to fulfill increasing reliability and safety requirements, non-destructive testing techniques are constantly evolving and so does their complexity. Consequently, simulation is an essential part of their design. We developed a tool for the simulation of the ultrasonic field radiated by any planar probes into non-destructive testing configurations involving meshed geometries without prominent edges, isotropic and anisotropic, homogeneous and heterogeneous materials, and wave trajectories that can include reflections and transmissions. We approximate the ultrasonic wave fronts by using polynomial interpolators that are local to ultrasonic ray pencils. They are obtained using a surface research algorithm based on pencil tracing and successive subdivisions. Their interpolators enable the computation of the necessary quantities for the impulse responses on each point of a sampling of the transducer surface that fulfills the Shannon criterion. By doing so, we can compute a global impulse response which, when convolved with the excitation signal of the transducer, results in the ultrasonic field. The usage of task parallelism and of SIMD instructions on the most computationally expensive steps yields an important performance boost. Finally, we developed a tool for progressive visualization of field images. It benefits from an image reconstruction technique and schedules field computations in order to accelerate convergence towards the final image. (author) [fr

Configurational entropy of anti-de Sitter black holes

International Nuclear Information System (INIS)

Braga, Nelson R.F.; Rocha, Roldão da

2017-01-01

Recent studies indicate that the configurational entropy is an useful tool to investigate the stability and (or) the relative dominance of states for diverse physical systems. Recent examples comprise the connection between the variation of this quantity and the relative fraction of light mesons and glueballs observed in hadronic processes. Here we develop a technique for defining a configurational entropy for an AdS-Schwarzschild black hole. The achieved result corroborates consistency with the Hawking–Page phase transition. Namely, the dominance of the black hole configurational entropy will be shown to increase with the temperature. In order to verify the consistency of the new procedure developed here, we also consider the case of black holes in flat space-time. For such a black hole, it is known that evaporation leads to instability. The configurational entropy obtained for the flat space case is thoroughly consistent with the physical expectation. In fact, we show that the smaller the black holes, the more unstable they are. So, the configurational entropy furnishes a reliable measure for stability of black holes.

Configurational entropy of anti-de Sitter black holes

Energy Technology Data Exchange (ETDEWEB)

Braga, Nelson R.F., E-mail: braga@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, RJ 21941-972 (Brazil); Rocha, Roldão da, E-mail: roldao.rocha@ufabc.edu.br [Centro de Matemática, Computação e Cognição, Universidade Federal do ABC – UFABC, 09210-580, Santo André (Brazil)

2017-04-10

Recent studies indicate that the configurational entropy is an useful tool to investigate the stability and (or) the relative dominance of states for diverse physical systems. Recent examples comprise the connection between the variation of this quantity and the relative fraction of light mesons and glueballs observed in hadronic processes. Here we develop a technique for defining a configurational entropy for an AdS-Schwarzschild black hole. The achieved result corroborates consistency with the Hawking–Page phase transition. Namely, the dominance of the black hole configurational entropy will be shown to increase with the temperature. In order to verify the consistency of the new procedure developed here, we also consider the case of black holes in flat space-time. For such a black hole, it is known that evaporation leads to instability. The configurational entropy obtained for the flat space case is thoroughly consistent with the physical expectation. In fact, we show that the smaller the black holes, the more unstable they are. So, the configurational entropy furnishes a reliable measure for stability of black holes.

Work-related symptoms and checkstand configuration: an experimental study.

Science.gov (United States)

Harber, P; Bloswick, D; Luo, J; Beck, J; Greer, D; Peña, L F

1993-07-01

Supermarket checkers are known to be at risk of upper-extremity cumulative trauma disorders. Forty-two experienced checkers checked a standard "market basket" of items on an experimental checkstand. The counter height could be adjusted (high = 35.5, low = 31.5 inches), and the pre-scan queuing area length (between conveyor belt and laser scanner) could be set to "near" or "far" lengths. Each subject scanned under the high-near, high-far, low-near, and low-far conditions in random order. Seven ordinal symptom scales were used to describe comfort. Analysis showed that both counter height and queuing length had significant effects on symptoms. Furthermore, the height of the subject affected the degree and direction of the impact of the checkstand configuration differences. The study suggests that optimization of design may be experimentally evaluated, that modification of postural as well as frequency loading may be beneficial, and that adjustability for the individual may be advisable.

Dynamics and configurations of galaxy triplets

International Nuclear Information System (INIS)

Anosova, J.P.; Orlov, V.V.; Chernin, A.D.; Ivanov, A.V.; Kiseleva, L.G.

1990-01-01

The purpose is to infer the probable dynamical states of galaxy triplets by the observed data on their configurations. Two methods are proposed for describing the distributions of the triplet configuration parameters characterizing a tendency to alignment and hierarchy: (1) obtaining a representative sample of configurations and determining its statistical parameters (moments and percentages); and (2) dividing the region of possible configurations of triple systems (Agekian and Anosova, 1967) into a set of segments and finding the probabilities for the configurations to find themselves in each of them. Both these methods allow representation of the data by numerical simulations as well as observations. The effect of projection was studied. It rather overestimates the alignment and hierarchy of the triple systems. Among the parameters of interest there are found some parameters that are least sensitive to projection effects. The samples consist of simulated galaxy triplets (with hidden mass) as well as of 46 probably physical triple galaxies (Karachentseva et al., 1979). The observed triples as well as numerical models show a tendency to alignment. The triple galaxies do not show any tendency to hierarchy (formation of the temporary binaries), but this tendency may be present for simulated triplets without significant dark matter. The significant hidden mass (of order ten times the total mass of a triplet) decreases the probability of forming a binary and so weakens the hierarchy. Small galaxy groups consisting of 3 to 7 members are probably the most prevalent types of galaxy aggregate (Gorbatsky, 1987). Galaxy triplets are the simplest groups, but dynamically nontrivial ones

Distinct Adsorption Configurations and Self-Assembly Characteristics of Fibrinogen on Chemically Uniform and Alternating Surfaces including Block Copolymer Nanodomains

Science.gov (United States)

2015-01-01

Understanding protein–surface interactions is crucial to solid-state biomedical applications whose functionality is directly correlated with the precise control of the adsorption configuration, surface packing, loading density, and bioactivity of protein molecules. Because of the small dimensions and highly amphiphilic nature of proteins, investigation of protein adsorption performed on nanoscale topology can shed light on subprotein-level interaction preferences. In this study, we examine the adsorption and assembly behavior of a highly elongated protein, fibrinogen, on both chemically uniform (as-is and buffered HF-treated SiO2/Si, and homopolymers of polystyrene and poly(methyl methacrylate)) and varying (polystyrene-block-poly(methyl methacrylate)) surfaces. By focusing on high-resolution imaging of individual protein molecules whose configurations are influenced by protein–surface rather than protein–protein interactions, fibrinogen conformations characteristic to each surface are identified and statistically analyzed for structural similarities/differences in key protein domains. By exploiting block copolymer nanodomains whose repeat distance is commensurate with the length of the individual protein, we determine that fibrinogen exhibits a more neutral tendency for interaction with both polystyrene and poly(methyl methacrylate) blocks relative to the case of common globular proteins. Factors affecting fibrinogen–polymer interactions are discussed in terms of hydrophobic and electrostatic interactions. In addition, assembly and packing attributes of fibrinogen are determined at different loading conditions. Primary orientations of fibrinogen and its rearrangements with respect to the underlying diblock nanodomains associated with different surface coverage are explained by pertinent protein interaction mechanisms. On the basis of two-dimensional stacking behavior, a protein assembly model is proposed for the formation of an extended fibrinogen network

A Design of Product Collaborative Online Configuration Model

Science.gov (United States)

Wang, Xiaoguo; Zheng, Jin; Zeng, Qian

According to the actual needs of mass customization, the personalization of product and its collaborative design, the paper analyzes and studies the working mechanism of modular-based product configuration technology and puts forward an information model of modular product family. Combined with case-based reasoning techniques (CBR) and the constraint satisfaction problem solving techniques (CSP), we design and study the algorithm for product configuration, and analyze its time complexity. A car chassis is made as the application object, we provide a prototype system of online configuration. Taking advantage of this system, designers can make appropriate changes on the existing programs in accordance with the demand. This will accelerate all aspects of product development and shorten the product cycle. Also the system will provide a strong technical support for enterprises to improve their market competitiveness.

Configuring Symantec AntiVirus

CERN Document Server

Shimonski, Robert

2003-01-01

This is the only book that will teach system administrators how to configure, deploy, and troubleshoot Symantec Enterprise Edition in an enterprise network. The book will reflect Symantec''s philosophy of "Centralized Antivirus Management." For the same reasons that Symantec bundled together these previously separate products, the book will provide system administrators with a holistic approach to defending their networks from malicious viruses. This book will also serve as a Study Guide for those pursuing Symantec Product Specialist Certifications.Configuring Symantec AntiVirus Enterprise Edition contains step-by-step instructions on how to Design, implement and leverage the Symantec Suite of products in the enterprise.ØFirst book published on market leading product and fast-growing certification. Despite the popularity of Symantec''s products and Symantec Product Specialist certifications, there are no other books published or announced.ØLess expensive substitute for costly on-sight training. Symantec off...

Interactive flow field around two Savonius turbines

Energy Technology Data Exchange (ETDEWEB)

Shigetomi, Akinari; Murai, Yuichi; Tasaka, Yuji; Takeda, Yasushi [Laboratory for Flow Control, Division of Energy and Environmental System, Faculty of Engineering, Hokkaido University, N13W8, Sapporo 060-8628 (Japan)

2011-02-15

The use of a Savonius type of vertical axis wind turbine is expanding in urban environments as a result of its ability to withstand turbulence as well as its relatively quiet operation. In the past, single turbine performance has been investigated primarily for determining the optimum blade configuration. In contrast, combining multiple Savonius turbines in the horizontal plane produces extra power in particular configurations. This results from the interaction between the two flow fields around individual turbines. To understand quantitatively the interaction mechanism, we measured the flow field around two Savonius turbines in close configurations using particle image velocimetry. The phase-averaged flow fields with respect to the rotation angle of the turbines revealed two types of power-improvement interactions. One comes from the Magnus effect that bends the main stream behind the turbine to provide additional rotation of the downstream turbine. The other is obtained from the periodic coupling of local flow between the two turbines, which is associated with vortex shedding and cyclic pressure fluctuations. Use of this knowledge will assist the design of packaged installations of multiple Savonius turbines. (author)

Holistic processing of face configurations and components.

Science.gov (United States)

Hayward, William G; Crookes, Kate; Chu, Ming Hon; Favelle, Simone K; Rhodes, Gillian

2016-10-01

Although many researchers agree that faces are processed holistically, we know relatively little about what information holistic processing captures from a face. Most studies that assess the nature of holistic processing do so with changes to the face affecting many different aspects of face information (e.g., different identities). Does holistic processing affect every aspect of a face? We used the composite task, a common means of examining the strength of holistic processing, with participants making same-different judgments about configuration changes or component changes to 1 portion of a face. Configuration changes involved changes in spatial position of the eyes, whereas component changes involved lightening or darkening the eyebrows. Composites were either aligned or misaligned, and were presented either upright or inverted. Both configuration judgments and component judgments showed evidence of holistic processing, and in both cases it was strongest for upright face composites. These results suggest that holistic processing captures a broad range of information about the face, including both configuration-based and component-based information. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Configuration Management Plan for K Basins

International Nuclear Information System (INIS)

Weir, W.R.; Laney, T.

1995-01-01

This plan describes a configuration management program for K Basins that establishes the systems, processes, and responsibilities necessary for implementation. The K Basins configuration management plan provides the methodology to establish, upgrade, reconstitute, and maintain the technical consistency among the requirements, physical configuration, and documentation. The technical consistency afforded by this plan ensures accurate technical information necessary to achieve the mission objectives that provide for the safe, economic, and environmentally sound management of K Basins and the stored material. The configuration management program architecture presented in this plan is based on the functional model established in the DOE Standard, DOE-STD-1073-93, open-quotes Guide for Operational Configuration Management Programclose quotes

On the interaction between the ground- and s-bands in the CHFB model

International Nuclear Information System (INIS)

Haakansson, H.B.

1980-01-01

The interaction between the ground configuration and the first excited 2 qp (s-) configuration in the isub 13/2 CHFB model is eliminated in order to investigate how the interaction is built up by the different terms in the Hamiltonian. The changes of sign of the interaction can be understood from the particle number projected wave functions. Oscillations are still present after projection. (author)

A configurable component-based software system for magnetic field measurements

Energy Technology Data Exchange (ETDEWEB)

Nogiec, J.M.; DiMarco, J.; Kotelnikov, S.; Trombly-Freytag, K.; Walbridge, D.; Tartaglia, M.; /Fermilab

2005-09-01

A new software system to test accelerator magnets has been developed at Fermilab. The magnetic measurement technique involved employs a single stretched wire to measure alignment parameters and magnetic field strength. The software for the system is built on top of a flexible component-based framework, which allows for easy reconfiguration and runtime modification. Various user interface, data acquisition, analysis, and data persistence components can be configured to form different measurement systems that are tailored to specific requirements (e.g., involving magnet type or test stand). The system can also be configured with various measurement sequences or tests, each of them controlled by a dedicated script. It is capable of working interactively as well as executing a preselected sequence of tests. Each test can be parameterized to fit the specific magnet type or test stand requirements. The system has been designed with portability in mind and is capable of working on various platforms, such as Linux, Solaris, and Windows. It can be configured to use a local data acquisition subsystem or a remote data acquisition computer, such as a VME processor running VxWorks. All hardware-oriented components have been developed with a simulation option that allows for running and testing measurements in the absence of data acquisition hardware.

Behaviors of tribrachial edge flames and their interactions in a triple-port burner

KAUST Repository

Yamamoto, Kazuhiro; Isobe, Yusuke; Hayashi, Naoki; Yamashita, Hiroshi; Chung, Suk-Ho

2015-01-01

In a triple-port burner, various non-premixed flames have been observed previously. Especially for the case with two lifted flames, such configuration could be suitable in studying interaction between two tribrachial flames. In the present study

Development of assessment methodology for plant configuration control

Energy Technology Data Exchange (ETDEWEB)

Chung, Chang Hyun; You, Young Woo; Kim, Yoon Ik; Yang, Hui Chang; Huh, Byeong Gill; Lee, Dong Won; Ahn, Gwan Won [Seoul National Univ., Seoul (Korea, Republic of)

2001-03-15

The purpose of this study IS the development of effective and overall assessment methodology which reflects the characteristics of plants for the surveillance, maintenance, repair and operation of nuclear power plants. In this study, recent researches are surveyed and concept definition, procedures, current PSA methodologies, implementation of various models are evaluated. Through this survey, systematic assessment methodology is suggested. Configuration control assessment methodology suggested in this study for the purpose of the development of configuration control methodology reflecting the characteristics of Korean NPPs, can be utilized as the supplement of current PSA methodologies.

Root canal configuration of human permanent mandibular first molars of an indo-dravidian population based in Southern India: An In vitro study

Directory of Open Access Journals (Sweden)

J V Karunakaran

2017-01-01

Full Text Available Aim: This study aims to analyze root canal configuration of human permanent mandibular first molars of an indo-Dravidian population based in southern India. Materials and Methods: A total of 1147 mandibular first permanent molars were collected, cleansed, and stored. The number of roots was recorded, access preparations made, pattern of orifices recorded after pulpal floor debridement, dye injected into the canals using apical negative pressure and subjected to a clearing technique. They were then analyzed using a stereo microscope and the canal configurations recorded (Vertucci. The number of roots, the pattern of orifices and canal configuration were recorded. Results: The pattern of orifices was triangular (87.9%, rectangular (8.5%, C-shaped (3.0%, and two orifice pattern (0.6%. About 95.6% of teeth had two roots, and 4.4% had three roots. The most common canal system configuration in mesial root was Vertucci type IV (52.3%, followed by type II (35%. Root canal configuration of the distal root revealed type I configuration in 62.7%, followed by types II (14.5% and IV (12.4%. The distolingual root had a type I configuration. Conclusion: Awareness of canal configuration, adequate clinical skills, use of specialized techniques of diagnosis, debridement and obturation will pave the way for successful treatment outcomes.

Root Canal Configuration of Human Permanent Mandibular First Molars of an Indo-Dravidian Population Based in Southern India: An In vitro Study.

Science.gov (United States)

Karunakaran, J V; Samuel, Leo Sujith; Rishal, Yousef; Joseph, M Derick; Suresh, K Rahul; Varghese, Sam T

2017-11-01

This study aims to analyze root canal configuration of human permanent mandibular first molars of an indo-Dravidian population based in southern India. A total of 1147 mandibular first permanent molars were collected, cleansed, and stored. The number of roots was recorded, access preparations made, pattern of orifices recorded after pulpal floor debridement, dye injected into the canals using apical negative pressure and subjected to a clearing technique. They were then analyzed using a stereo microscope and the canal configurations recorded (Vertucci). The number of roots, the pattern of orifices and canal configuration were recorded. The pattern of orifices was triangular (87.9%), rectangular (8.5%), C-shaped (3.0%), and two orifice pattern (0.6%). About 95.6% of teeth had two roots, and 4.4% had three roots. The most common canal system configuration in mesial root was Vertucci type IV (52.3%), followed by type II (35%). Root canal configuration of the distal root revealed type I configuration in 62.7%, followed by types II (14.5%) and IV (12.4%). The distolingual root had a type I configuration. Awareness of canal configuration, adequate clinical skills, use of specialized techniques of diagnosis, debridement and obturation will pave the way for successful treatment outcomes.

Configurable Input Devices for 3D Interaction using Optical Tracking

NARCIS (Netherlands)

A.J. van Rhijn (Arjen)

2007-01-01

textabstractThree-dimensional interaction with virtual objects is one of the aspects that needs to be addressed in order to increase the usability and usefulness of virtual reality. Human beings have difficulties understanding 3D spatial relationships and manipulating 3D user interfaces, which

Configurable input devices for 3D interaction using optical tracking

NARCIS (Netherlands)

Rhijn, van A.J.

2007-01-01

Three-dimensional interaction with virtual objects is one of the aspects that needs to be addressed in order to increase the usability and usefulness of virtual reality. Human beings have difficulties understanding 3D spatial relationships and manipulating 3D user interfaces, which require the

Interaction between dangling bonds in vacancy-defects in silicon

International Nuclear Information System (INIS)

Caldas, M.J.; Fazzio, A.

1983-01-01

The 'defect-molecule' model in the simplest scheme (without configuration interaction) is reviewed and the concept of 'delocalized dangling-bonds' is explorated in the study of the interaction between the unsaturated hybrids of the mono and divacancy in silicon. The 'defect-molecule' hamiltonian is written in parametric form, and the parameters are extracted from full self-consistent calculations for both systems carried out through the MS-Xα molecular cluster model. (Author) [pt

System of ispFlash configuration

International Nuclear Information System (INIS)

Bourrion, Olivier

2003-01-01

The aim of this module is to allow the use of FPGA components instead of EPLD components which for an equivalent or even inferior capacity are more expensive. For instance, the idea is to replace CPLD components having 512 macro-cells by one FPGA spartan II of Xilinx. However, due to the configuration's volatility, one configuration means is needed to put under voltage. A solution appears to be the using of a high capacity Flash memory coupled to a CPLD of small size to comply with the FPGA configuration protocol; also, one has to provide an in situ configuration means for this memory. Obviously, a product having an equivalent functionality already exists, since Xilinx and ALTERA supply PROMs of serial configuration. Unfortunately, they are expensive and a dealer is implied while the FLASH, the small CPLD and the FPGA spartan II are currently available. In conclusion, by using this assembly, which requires a small supplementary surface and a delay of upmost 240 ms (for the largest FPGA 1 Mbit), one obtains a solution cheaper and more performing than an EPLD of high capacity

Configurations and implementation of payroll system using open source erp: a case study of Koperasi PT Sri

Science.gov (United States)

Terminanto, A.; Swantoro, H. A.; Hidayanto, A. N.

2017-12-01

Enterprise Resource Planning (ERP) is an integrated information system to manage business processes of companies of various business scales. Because of the high cost of ERP investment, ERP implementation is usually done in large-scale enterprises, Due to the complexity of implementation problems, the success rate of ERP implementation is still low. Open Source System ERP becomes an alternative choice of ERP application to SME companies in terms of cost and customization. This study aims to identify characteristics and configure the implementation of OSS ERP Payroll module in KKPS (Employee Cooperative PT SRI) using OSS ERP Odoo and using ASAP method. This study is classified into case study research and action research. Implementation of OSS ERP Payroll module is done because the HR section of KKPS has not been integrated with other parts. The results of this study are the characteristics and configuration of OSS ERP payroll module in KKPS.

Deformed configurations, band structures and spectroscopic ...

Indian Academy of Sciences (India)

2014-03-20

Mar 20, 2014 ... Our study gives insight into possible deformed structures at spherical shell closure. ... Considerable experimental and theoretical efforts ... True deformation effects can be seen only by considering configuration mixing.

Etiological classification of presbycusis in Turkish population according to audiogram configuration.

Science.gov (United States)

Kaya, Kamil Hakan; Karaman Koç, Arzu; Sayın, İbrahim; Güneş, Selçuk; Canpolat, Sinan; Şimşek, Baver; Kayhan, Fatma Tülin

2015-01-01

This study aims to classify age related hearing loss in Turkish population according to Schuknecht audiometric configurations for presbycusis and investigate the most common etiologies. A total of 1,134 patients (568 males, 566 females; mean age 70.5±7.7 years; range 55 to 80 years) with age related hearing loss were included in the study. Audiograms of patients were classified into three categories: high frequency steeply sloping (HFSS), flat, and high frequency gently sloping (HFGS). Speech discrimination scores were evaluated and compared. In the study population, HFSS audiogram configuration was the most frequently observed (48.5%), followed by HFGS configuration (26.9%), and flat configuration (24.5%), respectively. While HFSS audiogram configuration was statistically significantly more common in males, flat audiogram configuration was statistically significantly more common in females (p=0.0001). HFSS group mean air conduction threshold were statistically significantly higher than flat and HFGS groups (p=0.0001). No statistically significantly difference was detected in terms of speech discrimination scores between three groups (p=0.796). Results of this study suggest that, in Turkish population, while sensory presbycusis is more common in males, strial presbycusis is more common in females. No difference was detected in terms of the prevalence of cochlear presbycusis in males and females (p=0.0001).

Symmetry-adapted configurational modelling of fractional site occupancy in solids

Energy Technology Data Exchange (ETDEWEB)

Grau-Crespo, R [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Hamad, S [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Catlow, C R A [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Leeuw, N H de [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)

2007-06-27

A methodology is presented, which reduces the number of site-occupancy configurations to be calculated when modelling site disorder in solids, by taking advantage of the crystal symmetry of the lattice. Within this approach, two configurations are considered equivalent when they are related by an isometric operation; a trial list of possible isometric transformations is provided by the group of symmetry operators in the parent structure, which is used to generate all configurations via atomic substitutions. We have adapted the equations for configurational statistics to operate in the reduced configurational space of the independent configurations. Each configuration in this space is characterized by its reduced energy, which includes not only its energy but also a contribution from its degeneracy in the complete configurational space, via an entropic term. The new computer program SOD (site-occupancy disorder) is presented, which performs this analysis in systems with arbitrary symmetry and any size of supercell. As a case study we use the distribution of cations in iron antimony oxide FeSbO{sub 4}, where we also introduce some general considerations for the modelling of site-occupancy disorder in paramagnetic systems.

Comprehensive Angular Response Study of LLNL Panasonic Dosimeter Configurations and Artificial Intelligence Algorithm

Energy Technology Data Exchange (ETDEWEB)

Stone, D. K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-06-30

In April of 2016, the Lawrence Livermore National Laboratory External Dosimetry Program underwent a Department of Energy Laboratory Accreditation Program (DOELAP) on-site assessment. The assessment reported a concern that the study performed in 2013 Angular Dependence Study Panasonic UD-802 and UD-810 Dosimeters LLNL Artificial Intelligence Algorithm was incomplete. Only the responses at ±60° and 0° were evaluated and independent data from dosimeters was not used to evaluate the algorithm. Additionally, other configurations of LLNL dosimeters were not considered in this study. This includes nuclear accident dosimeters (NAD) which are placed in the wells surrounding the TLD in the dosimeter holder.

Optimization Under Uncertainty of Site-Specific Turbine Configurations

Science.gov (United States)

Quick, J.; Dykes, K.; Graf, P.; Zahle, F.

2016-09-01

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. If there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtained with increasing risk aversion on the part of the designer.

A CMake-based build and configuration framework

CERN Multimedia

CERN. Geneva

2012-01-01

The LHCb experiment has been using the CMT build and configuration tool for its software since the first versions, mainly because of its multi-platform build support and its powerful configuration management functionality. Still, CMT has some limitations in terms of build performance and the increased complexity added to the tool to cope with new use cases added latterly. Therefore, we have been looking for a viable alternative to it and we have investigated the possibility of adopting the CMake tool, which does a very good job for building and is getting very popular in the HEP community. The result of this study is a CMake-based framework which provides most of the special configuration features available natively only in CMT, with the advantages of better performances, flexibility and portability.

Co-simulation of dynamic systems in parallel and serial model configurations

International Nuclear Information System (INIS)

Sweafford, Trevor; Yoon, Hwan Sik

2013-01-01

Recent advancement in simulation software and computation hardware make it realizable to simulate complex dynamic systems comprised of multiple submodels developed in different modeling languages. The so-called co-simulation enables one to study various aspects of a complex dynamic system with heterogeneous submodels in a cost-effective manner. Among several different model configurations for co-simulation, synchronized parallel configuration is regarded to expedite the simulation process by simulation multiple sub models concurrently on a multi core processor. In this paper, computational accuracies as well as computation time are studied for three different co-simulation frameworks : integrated, serial, and parallel. for this purpose, analytical evaluations of the three different methods are made using the explicit Euler method and then they are applied to two-DOF mass-spring systems. The result show that while the parallel simulation configuration produces the same accurate results as the integrated configuration, results of the serial configuration, results of the serial configuration show a slight deviation. it is also shown that the computation time can be reduced by running simulation in the parallel configuration. Therefore, it can be concluded that the synchronized parallel simulation methodology is the best for both simulation accuracy and time efficiency.

Evolution of the Configuration Database Design

International Nuclear Information System (INIS)

Salnikov, A.

2006-01-01

The BABAR experiment at SLAC successfully collects physics data since 1999. One of the major parts of its on-line system is the configuration database which provides other parts of the system with the configuration data necessary for data taking. Originally the configuration database was implemented in the Objectivity/DB ODBMS. Recently BABAR performed a successful migration of its event store from Objectivity/DB to ROOT and this prompted a complete phase-out of the Objectivity/DB in all other BABAR databases. It required the complete redesign of the configuration database to hide any implementation details and to support multiple storage technologies. In this paper we describe the process of the migration of the configuration database, its new design, implementation strategy and details

Algorithm-enabled partial-angular-scan configurations for dual-energy CT.

Science.gov (United States)

Chen, Buxin; Zhang, Zheng; Xia, Dan; Sidky, Emil Y; Pan, Xiaochuan

2018-05-01

We seek to investigate an optimization-based one-step method for image reconstruction that explicitly compensates for nonlinear spectral response (i.e., the beam-hardening effect) in dual-energy CT, to investigate the feasibility of the one-step method for enabling two dual-energy partial-angular-scan configurations, referred to as the short- and half-scan configurations, on standard CT scanners without involving additional hardware, and to investigate the potential of the short- and half-scan configurations in reducing imaging dose and scan time in a single-kVp-switch full-scan configuration in which two full rotations are made for collection of dual-energy data. We use the one-step method to reconstruct images directly from dual-energy data through solving a nonconvex optimization program that specifies the images to be reconstructed in dual-energy CT. Dual-energy full-scan data are generated from numerical phantoms and collected from physical phantoms with the standard single-kVp-switch full-scan configuration, whereas dual-energy short- and half-scan data are extracted from the corresponding full-scan data. Besides visual inspection and profile-plot comparison, the reconstructed images are analyzed also in quantitative studies based upon tasks of linear-attenuation-coefficient and material-concentration estimation and of material differentiation. Following the performance of a computer-simulation study to verify that the one-step method can reconstruct numerically accurately basis and monochromatic images of numerical phantoms, we reconstruct basis and monochromatic images by using the one-step method from real data of physical phantoms collected with the full-, short-, and half-scan configurations. Subjective inspection based upon visualization and profile-plot comparison reveals that monochromatic images, which are used often in practical applications, reconstructed from the full-, short-, and half-scan data are largely visually comparable except for some

Superposition of configurations in semiempirical calculation of iron group ion spectra

International Nuclear Information System (INIS)

Kantseryavichyus, A.Yu.; Ramonas, A.A.

1976-01-01

The energy spectra of ions from the iron group in the dsup(N), dsup(N)s, dsup(N)p configurations are studied. A semiempirical method is used in which the effective hamiltonian contains configuration superposition. The sdsup(N+1), psup(4)dsup(N+2) quasidegenerated configurations, as well as configurations which differ by one electron are taken as correction configurations. It follows from the calculations that the most important role among the quasidegenerate configurations is played by the sdsup(N+1) correctional configuration. When it is taken into account, the introduction of the psup(4)dsup(N+2) correctional configuration practically does not affect the results. Account of the dsup(N-1)s configuration in the second order of the perturbation theory is equivalent to that of sdsup(N+1) in the sense that it results in the identical mean square deviation. As follows from the comparison of the results of the approximate and complete account of the configuration superposition, in many cases one can be satisfied with its approximate and complete account of the configuration superposition, in many cases one can be satisfied with its approximate version. The results are presented in the form of tables including the values of empirical parameters, radial integrals, mean square errors, etc

Energy savings in distillation via identification of useful configurations

Science.gov (United States)

Shah, Vishesh Hemanshu

Recent market and environmental forces require the rapid development of better and cheaper separation process solutions. Especially for multicomponent mixtures, there are several feasible separation process solutions differing significantly in cost and energy consumption in spite of carrying out the same overall process. Therefore a systematic method to identify and design optimal multicomponent separation sequences is needed instead of relying on the inventive activity of a few experienced engineers. Even for a commonly perceived "mature" technology such as distillation, until recently there has been an absence of systematic methods to (i) elucidate all possible separation configurations and to (ii) identify energy efficient candidates. This research aims to address these needs. In this work, we focus on the continuous distillation of non-azeotropic mixtures into n distinct composition final product streams. We develop a computationally efficient and easy-to-use mathematical framework to generate all the basic distillation configurations that use exactly (n-1) distillation columns to carry out this n-component separation. We extend the framework to generate all the additional distillation configurations with thermal coupling. We observe that the search space of distillation configurations grows very rapidly as the number of product streams increases. For instance, for a mixture to be separated into 4 product streams, we can choose from 18 basic configurations and 134 additional configurations with thermal coupling; while for a mixture to be separated into 8 product streams, we can choose from 15,767,207 basic configurations and 29,006,926,681 additional configurations with thermal coupling. The next challenge for a process engineer is to be able to quickly prune the search space to a handful of attractive energy efficient candidates that can be studied in greater detail. To this effect, we develop a quick screening optimization tool that identifies configurations

Automated firewall analytics design, configuration and optimization

CERN Document Server

Al-Shaer, Ehab

2014-01-01

This book provides a comprehensive and in-depth study of automated firewall policy analysis for designing, configuring and managing distributed firewalls in large-scale enterpriser networks. It presents methodologies, techniques and tools for researchers as well as professionals to understand the challenges and improve the state-of-the-art of managing firewalls systematically in both research and application domains. Chapters explore set-theory, managing firewall configuration globally and consistently, access control list with encryption, and authentication such as IPSec policies. The author

How do patients actually experience and use art in hospitals? The significance of interaction: a user-oriented experimental case study

OpenAIRE

Nielsen, Stine L.; Fich, Lars B.; Roessler, Kirsten K.; Mullins, Michael F.

2017-01-01

ABSTRACT This article aims to understand patient wellbeing and satisfaction and to qualify the current guidelines for the application of art in hospitals. Employing anthropological methods, we focus on the interactional aspects of art in health interventions. A user-oriented study ranked 20 paintings, followed by an experiment using paintings in the dayroom of five medical wards. Fieldwork was done over a two-week period. During the first week, dayrooms were configured without the presence of...

Analyzing Visibility Configurations.

Science.gov (United States)

Dachsbacher, C

2011-04-01

Many algorithms, such as level of detail rendering and occlusion culling methods, make decisions based on the degree of visibility of an object, but do not analyze the distribution, or structure, of the visible and occluded regions across surfaces. We present an efficient method to classify different visibility configurations and show how this can be used on top of existing methods based on visibility determination. We adapt co-occurrence matrices for visibility analysis and generalize them to operate on clusters of triangular surfaces instead of pixels. We employ machine learning techniques to reliably classify the thus extracted feature vectors. Our method allows perceptually motivated level of detail methods for real-time rendering applications by detecting configurations with expected visual masking. We exemplify the versatility of our method with an analysis of area light visibility configurations in ray tracing and an area-to-area visibility analysis suitable for hierarchical radiosity refinement. Initial results demonstrate the robustness, simplicity, and performance of our method in synthetic scenes, as well as real applications.

Computational Prediction of the Aerodynamic Characteristics of SSTO Vehicle Configurations

OpenAIRE

Keiichiro, FUJIMOTO; Kozo, FUJI

2003-01-01

Flow-fields around basic SSTO-rocket configurations are numerically simulated by the Navier-Stokes computations. The study starts with the simulations of the Apollo-type configuration, in which the simulated results arecomparing with NASA's experiments and the capability of CFD approach is discussed.Computed aerodynamic coeffcients of Apollo configuration agree well with the experiments at subsonic, transonic and supersonic regime at all angles of attack and the present computational approach...

The influence of R and S configurations of a series of amphetamine derivatives on quantitative structure–activity relationship models

International Nuclear Information System (INIS)

Fresqui, Maíra A.C.; Ferreira, Márcia M.C.; Trsic, Milan

2013-01-01

Highlights: ► The QSAR model is not dependent of ligand conformation. ► Amphetamines were analyzed by quantum chemical, steric and hydrophobic descriptors. ► CHELPG atomic charges on the benzene ring are one of the most important descriptors. ► The PLS models built were extensively validated. ► Manual docking supports the QSAR results by pi–pi stacking interactions. - Abstract: Chiral molecules need special attention in drug design. In this sense, the R and S configurations of a series of thirty-four amphetamines were evaluated by quantitative structure–activity relationship (QSAR). This class of compounds has antidepressant, anti-Parkinson and anti-Alzheimer effects against the enzyme monoamine oxidase A (MAO A). A set of thirty-eight descriptors, including electronic, steric and hydrophobic ones, were calculated. Variable selection was performed through the correlation coefficients followed by the ordered predictor selection (OPS) algorithm. Six descriptors (CHELPG atomic charges C3, C4 and C5, electrophilicity, molecular surface area and log P) were selected for both configurations and a satisfactory model was obtained by PLS regression with three latent variables with R 2 = 0.73 and Q 2 = 0.60, with external predictability Q 2 = 0.68, and R 2 = 0.76 and Q 2 = 0.67 with external predictability Q 2 = 0.50, for R and S configurations, respectively. To confirm the robustness of each model, leave-N-out cross validation (LNO) was carried out and the y-randomization test was used to check if these models present chance correlation. Moreover, both automated or a manual molecular docking indicate that the reaction of ligands with the enzyme occurs via pi–pi stacking interaction with Tyr407, inclined face-to-face interaction with Tyr444, while aromatic hydrogen–hydrogen interactions with Tyr197 are preferable for R instead of S configurations.

Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations

Energy Technology Data Exchange (ETDEWEB)

Palmer, Michael H., E-mail: m.h.palmer@ed.ac.uk; Ridley, Trevor, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland (United Kingdom); Hoffmann, Søren Vrønning, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu; Jones, Nykola C., E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Coreno, Marcello, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [CNR-IMIP, Montelibretti, c/o Laboratorio Elettra, Trieste (Italy); Simone, Monica de, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [CNR-IOM Laboratorio TASC, Trieste (Italy); Grazioli, Cesare [CNR-IOM Laboratorio TASC, Trieste (Italy); Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste (Italy); Zhang, Teng [Department of Physics and Astronomy, University of Uppsala, Uppsala (Sweden); and others

2015-10-28

New photoelectron, ultraviolet (UV), and vacuum UV (VUV) spectra have been obtained for bromobenzene by synchrotron study with higher sensitivity and resolution than previous work. This, together with use of ab initio calculations with both configuration interaction and time dependent density functional theoretical methods, has led to major advances in interpretation. The VUV spectrum has led to identification of a considerable number of Rydberg states for the first time. The Franck-Condon (FC) analyses including both hot and cold bands lead to identification of the vibrational structure of both ionic and electronically excited states including two Rydberg states. The UV onset has been interpreted in some detail, and an interpretation based on the superposition of FC and Herzberg-Teller contributions has been performed. In a similar way, the 6 eV absorption band which is poorly resolved is analysed in terms of the presence of two ππ* states of {sup 1}A{sub 1} (higher oscillator strength) and {sup 1}B{sub 2} (lower oscillator strength) symmetries, respectively. The detailed analysis of the vibrational structure of the 2{sup 2}B{sub 1} ionic state is particularly challenging, and the best interpretation is based on equation-of-motion-coupled cluster with singles and doubles computations. A number of equilibrium structures of the ionic and singlet excited states show that the molecular structure is less subject to variation than corresponding studies for iodobenzene. The equilibrium structures of the 3b{sub 1}3s and 6b{sub 2}3s (valence shell numbering) Rydberg states have been obtained and compared with the corresponding ionic limit structures.

New complex product introduction by means of product configuration

DEFF Research Database (Denmark)

Bonev, Martin; Korell, Manuel; Hvam, Lars

-uct innovation can effectively been supported. Es-pecially for engineering companies moving to-wards Mass Customization, compared to mass pro-ducers the challenges caused by the complexity of their products and by the highly uncertain markets are much higher. This study develops and validates a framework which....... Traditional research has thereby either focused on defining modelling techniques for the configuration model of stable products, on improved configura-tion algorithms, or on the impact of configurators on companies’ operations. However, little attention has yet been paid how the growing need for prod...

Records of Migration in the Exoplanet Configurations

Science.gov (United States)

Michtchenko, Tatiana A.; Rodriguez Colucci, A.; Tadeu Dos Santos, M.

2013-05-01

Abstract (2,250 Maximum Characters): When compared to our Solar System, many exoplanet systems exhibit quite unusual planet configurations; some of these are hot Jupiters, which orbit their central stars with periods of a few days, others are resonant systems composed of two or more planets with commensurable orbital periods. It has been suggested that these configurations can be the result of a migration processes originated by tidal interactions of the planets with disks and central stars. The process known as planet migration occurs due to dissipative forces which affect the planetary semi-major axes and cause the planets to move towards to, or away from, the central star. In this talk, we present possible signatures of planet migration in the distribution of the hot Jupiters and resonant exoplanet pairs. For this task, we develop a semi-analytical model to describe the evolution of the migrating planetary pair, based on the fundamental concepts of conservative and dissipative dynamics of the three-body problem. Our approach is based on an analysis of the energy and the orbital angular momentum exchange between the two-planet system and an external medium; thus no specific kind of dissipative forces needs to be invoked. We show that, under assumption that dissipation is weak and slow, the evolutionary routes of the migrating planets are traced by the stationary solutions of the conservative problem (Birkhoff, Dynamical systems, 1966). The ultimate convergence and the evolution of the system along one of these modes of motion are determined uniquely by the condition that the dissipation rate is sufficiently smaller than the roper frequencies of the system. We show that it is possible to reassemble the starting configurations and migration history of the systems on the basis of their final states, and consequently to constrain the parameters of the physical processes involved.

Embodying multilingual interaction

DEFF Research Database (Denmark)

Hazel, Spencer; Mortensen, Janus

this linguistic diversity is managed in situ by participants engaged in dialogue with one another, and what it is used for in these transient multilingual communities. This paper presents CA-based micro-ethnographic analyses of language choice in an informal social setting – a kitchen – of an international study...... literature on language choice in interaction, our findings emphasize that analyses of language choice in multilingual settings need to take into account social actions beyond the words that are spoken. We show that facial, spatial and postural configurations, gaze orientation and gestures as well as prosodic...... in the particular community of practice that we are investigating. Reference Hazel, Spencer, and Janus Mortensen. forthcoming. Kitchen talk: Exploring linguistic practices in liminal institutional interactions in a multilingual university setting. in Language Alternation, Language Choice, and Language Encounter...

Magnetic Configuration Control of ITER Plasmas

International Nuclear Information System (INIS)

Albanese, R.; Artaserse, G.; Mattei, M.; Ambrosino, G.; Crisanti, F.; Tommasi, G. de; Fresa, R.; Portone, A.; Sartori, F.; Villone, F.

2006-01-01

The aim of this paper is to review the capability of the ITER Poloidal Field (PF) system of controlling the broad range of plasma configurations presently forecasted during ITER operation. The attention is focused on the axi-symmetric aspects of plasma magnetic configuration control since they pose the greatest challenges in terms of control power and they have the largest impact on machine capital cost. The paper is broadly divided in two main sections devoted, respectively, to open loop (feed-forward) and closed loop (feedback) control. In the first part of the study the PF system is assessed with respect to the initiation, ramp-up, sustained burn, ramp-down phases of the main plasma inductive scenario. The limiter-to-divertor configuration transition phase is considered in detail with the aim of assessing the PF capability to form an X-point at the lowest possible current and, therefore, to relax the thermal load on the limiter surfaces. Moreover, during the sustained burn it is important to control plasmas with a broad range of current density profiles. In the second part of the study the plasma vertical feedback control requirements are assessed in details, in particular for the high elongation configurations achievable during the early limiter-to-X point transition phase. Non-rigid plasma displacement models are used to assess the control system voltage and current requirements of different radial field control circuits obtained, for example, by connecting the outermost PF coils, some CS coils, coils sub-sections etc. At last, the main 3D effects of the vessel ports are modeled and their impact of vertical stabilization evaluated. (author)

National Ignition Facility Configuration Management Plan

International Nuclear Information System (INIS)

Cabral, S G; Moore, T L

2002-01-01

This Configuration Management Plan (CMP) describes the technical and administrative management process for controlling the National Ignition Facility (NIF) Project configuration. The complexity of the NIF Project (i.e., participation by multiple national laboratories and subcontractors involved in the development, fabrication, installation, and testing of NIF hardware and software, as well as construction and testing of Project facilities) requires implementation of the comprehensive configuration management program defined in this plan. A logical schematic illustrating how the plan functions is provided in Figure 1. A summary of the process is provided in Section 4.0, Configuration Change Control. Detailed procedures that make up the overall process are referenced. This CMP is consistent with guidance for managing a project's configuration provided in Department of Energy (DOE) Order 430.1, Guide PMG 10, ''Project Execution and Engineering Management Planning''. Configuration management is a formal discipline comprised of the following four elements: (1) Identification--defines the functional and physical characteristics of a Project and uniquely identifies the defining requirements. This includes selection of components of the end product(s) subject to control and selection of the documents that define the project and components. (2) Change management--provides a systematic method for managing changes to the project and its physical and functional configuration to ensure that all changes are properly identified, assessed, reviewed, approved, implemented, tested, and documented. (3) Data management--ensures that necessary information on the project and its end product(s) is systematically recorded and disseminated for decision-making and other uses. Identifies, stores and controls, tracks status, retrieves, and distributes documents. (4) Assessments and validation--ensures that the planned configuration requirements match actual physical configurations and

The Development of Spatial Configuration Processing of Visual Word Forms

Directory of Open Access Journals (Sweden)

Chienhui Kao

2011-05-01

Full Text Available The analysis of spatial relationship, or configuration, among the components of a character is important for visual word form recognition (Kao et al., 2010. We investigated such spatial configuration processing in dyslexics and developing populations. Four types of characters: real- and non-characters and their upside-down versions were used in this study. The task of the observers was to determine whether two characters presented on the display were identical. One group of dyslexic children (Dys and two groups of non-dyslexic controls, one (RL matched Dys in reading performance and the other (CA matched in age, were recruited in this study. Dys performed significantly worse than the control groups for all character types, suggesting a worse visual word form processing in dyslexics. For Dys and CA, the proportional correct response for the upright real characters was better than that for their upside-down versions. RL, (which was younger showed the same effect for the non-characters. Since the non-characters disrupts the global configuration while the inverted characters disrupted both local and global configurations, our results suggest that younger children recognize a word with an analysis of the local configuration while older children, regardless of whether they are dyslexics or not, analyze the global configuration.

Metrics for measuring distances in configuration spaces

International Nuclear Information System (INIS)

Sadeghi, Ali; Ghasemi, S. Alireza; Schaefer, Bastian; Mohr, Stephan; Goedecker, Stefan; Lill, Markus A.

2013-01-01

In order to characterize molecular structures we introduce configurational fingerprint vectors which are counterparts of quantities used experimentally to identify structures. The Euclidean distance between the configurational fingerprint vectors satisfies the properties of a metric and can therefore safely be used to measure dissimilarities between configurations in the high dimensional configuration space. In particular we show that these metrics are a perfect and computationally cheap replacement for the root-mean-square distance (RMSD) when one has to decide whether two noise contaminated configurations are identical or not. We introduce a Monte Carlo approach to obtain the global minimum of the RMSD between configurations, which is obtained from a global minimization over all translations, rotations, and permutations of atomic indices

Comparative study of turbulent mixing in jet in cross-flow configurations using LES

International Nuclear Information System (INIS)

Wegner, B.; Huai, Y.; Sadiki, A.

2004-01-01

Mixing processes in turbulent fluid motion are of fundamental interest in many situations in engineering practice. Due to its practical importance in a vast number of applications, the generic configuration of the jet in cross-flow has been studied extensively in the past. Recently, the question has received a lot of attention, whether the unsteady behavior of the jet in cross-flow can be influenced by either active or passive means in order to control and enhance the mixing process. In the present paper, we use the large eddy simulation (LES) methodology to investigate how turbulent mixing can be enhanced by varying the angle between the jet and the oncoming cross-flow. After validating the computations against measurements by Andreopoulos and Rodi, we analyze qualitatively and quantitatively the mixing process for three configurations with different angles. It is shown that the inclination influences the characteristics of vortical structures and secondary motion which in turn have an effect on the mixing process. Besides a PDF of the passive scalar and a scalar energy spectrum, a mixedness parameter is used to provide information with respect to the quality and rate of mixing

Intellectual Model-Based Configuration Management Conception

Directory of Open Access Journals (Sweden)

Bartusevics Arturs

2014-07-01

Full Text Available Software configuration management is one of the most important disciplines within the software development project, which helps control the software evolution process and allows including into the end project only tested and validated changes. To achieve this, software management completes certain tasks. Concrete tools are used for technical implementation of tasks, such as version control systems, servers of continuous integration, compilers, etc. A correct configuration management process usually requires several tools, which mutually exchange information by generating various kinds of transfers. When it comes to introducing the configuration management process, often there are situations when tool installation is started, yet at that given moment there is no general picture of the total process. The article offers a model-based configuration management concept, which foresees the development of an abstract model for the configuration management process that later is transformed to lower abstraction level models and tools are indicated to support the technical process. A solution of this kind allows a more rational introduction and configuration of tools